#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k3i s PRO -11 N 0.00 0.46 -0.07 9.51 0.04 -1.26 -5.02 135.00 138.66 1k3i s PRO -11 Ca 0.00 0.12 -0.25 0.00 0.04 0.00 0.00 61.00 60.91 1k3i s PRO -11 Cb 0.00 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.73 1k3i s PRO -11 CO 0.00 -2.63 0.76 -1.21 0.04 0.00 0.00 177.00 173.96 1k3i s GLU -10 N -5.37 4.44 3.42 4.56 0.41 -1.26 -4.93 118.70 119.96 1k3i s GLU -10 Ca 0.67 0.97 0.00 0.00 -0.41 0.00 0.00 54.97 56.20 1k3i s GLU -10 Cb -0.12 -3.47 0.00 0.00 -1.78 0.00 0.00 34.13 28.76 1k3i s GLU -10 CO 0.54 -0.00 0.00 0.41 -0.49 0.00 0.00 175.26 175.72 1k3i n GLY -9 N 3.13 0.40 3.46 -1.39 0.00 -1.26 -4.46 105.19 105.06 1k3i n GLY -9 Ca 0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 45.09 1k3i n GLY -9 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k3i s SER -8 N -4.00 -0.09 0.31 1.61 1.04 -1.26 -5.00 113.70 106.30 1k3i s SER -8 Ca 0.00 -0.76 0.04 0.00 0.48 0.00 0.00 55.95 55.72 1k3i s SER -8 Cb 0.00 0.52 0.52 0.00 0.10 0.00 0.00 66.02 67.16 1k3i s SER -8 CO 0.00 -1.01 1.79 0.25 0.98 0.00 0.00 173.24 175.25 1k3i h LEU -7 N 2.35 0.44 -1.67 2.42 5.85 -1.93 -2.36 115.31 120.41 1k3i h LEU -7 Ca -0.29 -0.12 0.13 0.00 0.84 0.00 0.00 57.88 58.44 1k3i h LEU -7 Cb 1.24 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.12 1k3i h LEU -7 CO 0.41 0.63 0.45 -0.61 -0.34 0.00 0.00 178.44 178.98 1k3i h GLN -6 N 0.41 0.33 -0.09 1.25 4.15 -2.00 -0.58 115.11 118.59 1k3i h GLN -6 Ca 0.07 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1k3i h GLN -6 Cb 0.54 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.15 1k3i h GLN -6 CO 0.03 0.22 0.00 1.19 -1.93 0.00 0.00 178.83 178.34 1k3i n PHE -5 N -4.46 0.08 -3.61 3.99 3.01 -1.01 -4.97 117.46 110.49 1k3i n PHE -5 Ca 0.12 -0.04 -0.21 0.00 1.01 0.00 0.00 57.45 58.33 1k3i n PHE -5 Cb 0.49 -0.00 0.05 0.00 -0.01 0.00 0.00 39.48 40.00 1k3i n PHE -5 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1k3i n LEU -4 N 1.27 -3.48 -4.86 4.37 4.77 -0.22 -4.95 117.00 113.89 1k3i n LEU -4 Ca 0.14 -0.79 -0.31 0.00 -0.03 0.00 0.00 56.01 55.01 1k3i n LEU -4 Cb 0.56 -2.77 -0.01 0.00 -2.33 0.00 0.00 43.42 38.86 1k3i n LEU -4 CO 0.14 0.38 0.67 -0.44 -1.33 0.00 0.00 177.39 176.81 1k3i s SER -3 N -4.20 6.42 -0.02 -1.43 0.01 -0.92 -5.04 113.70 108.52 1k3i s SER -3 Ca 0.08 1.45 -0.10 0.00 1.31 0.00 0.00 55.95 58.69 1k3i s SER -3 Cb -0.02 -2.47 0.01 0.00 0.21 0.00 0.00 66.02 63.75 1k3i s SER -3 CO 0.79 -0.70 0.21 -0.76 0.41 0.00 0.00 173.24 173.20 1k3i s LEU -2 N -4.58 1.24 0.16 2.44 1.43 -1.26 -4.85 118.68 113.26 1k3i s LEU -2 Ca 0.56 0.00 -0.30 0.00 -1.03 0.00 0.00 54.13 53.36 1k3i s LEU -2 Cb -0.10 0.90 -0.07 0.00 0.03 0.00 0.00 46.19 46.94 1k3i s LEU -2 CO 0.42 -0.35 1.14 -0.60 0.23 0.00 0.00 176.35 177.18 1k3i s ARG -1 N -1.13 4.55 0.12 1.70 3.52 -0.98 -4.92 118.95 121.81 1k3i s ARG -1 Ca -0.12 1.76 -0.14 0.00 -0.13 0.00 0.00 55.73 57.11 1k3i s ARG -1 Cb -0.06 -3.28 -0.07 0.00 -1.56 0.00 0.00 34.95 29.99 1k3i s ARG -1 CO 0.02 -0.01 0.52 0.00 -0.81 0.00 0.00 175.30 175.02 1k3i s ALA 1 N -0.03 3.61 0.20 6.12 0.00 -1.26 -4.36 121.76 126.04 1k3i s ALA 1 Ca 0.51 -0.17 -0.30 0.00 0.00 0.00 0.00 51.96 52.00 1k3i s ALA 1 Cb -0.30 -2.48 -0.08 0.00 0.00 0.00 0.00 23.12 20.26 1k3i s ALA 1 CO 0.35 0.47 1.02 0.45 0.00 0.00 0.00 175.76 178.05 1k3i s SER 2 N -1.67 7.44 0.61 0.00 0.15 0.14 -4.87 113.70 115.50 1k3i s SER 2 Ca 0.36 2.01 -0.03 0.00 0.70 0.00 0.00 55.95 58.99 1k3i s SER 2 Cb -0.15 -2.61 0.04 0.00 -1.71 0.00 0.00 66.02 61.59 1k3i s SER 2 CO 0.19 -0.05 0.88 0.00 1.20 0.00 0.00 173.24 175.45 1k3i s ALA 3 N -0.63 3.52 0.77 5.45 0.00 -1.26 -4.80 121.76 124.81 1k3i s ALA 3 Ca 0.45 -1.07 -0.12 0.00 0.00 0.00 0.00 51.96 51.22 1k3i s ALA 3 Cb -0.27 -2.35 0.05 0.00 0.00 0.00 0.00 23.12 20.55 1k3i s ALA 3 CO 0.34 -0.95 1.12 -1.25 0.00 0.00 0.00 175.76 175.02 1k3i s PRO 4 N -4.97 2.33 -0.89 0.00 0.04 -1.26 -4.94 135.00 125.30 1k3i s PRO 4 Ca 0.57 0.40 -0.22 0.00 0.04 0.00 0.00 61.00 61.79 1k3i s PRO 4 Cb -0.10 -1.97 0.08 0.00 0.04 0.00 0.00 34.50 32.55 1k3i s PRO 4 CO 0.42 -1.40 1.22 0.42 0.04 0.00 0.00 177.00 177.70 1k3i s ILE 5 N -3.37 4.30 -0.55 0.56 1.01 -1.26 -4.86 121.20 117.03 1k3i s ILE 5 Ca 0.60 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 60.35 1k3i s ILE 5 Cb -0.12 -4.87 0.00 0.00 0.01 0.00 0.00 42.46 37.48 1k3i s ILE 5 CO 0.52 -1.67 0.00 0.61 0.00 0.00 0.00 174.94 174.39 1k3i n GLY 6 N 5.90 -1.28 3.49 6.18 0.00 -1.26 -4.64 105.19 113.59 1k3i n GLY 6 Ca 0.20 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 1k3i n GLY 6 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k3i s SER 7 N -0.85 3.92 0.24 1.61 1.04 -0.90 -4.85 113.70 113.91 1k3i s SER 7 Ca 0.00 -0.51 -0.30 0.00 0.48 0.00 0.00 55.95 55.62 1k3i s SER 7 Cb 0.00 -0.59 -0.10 0.00 0.10 0.00 0.00 66.02 65.43 1k3i s SER 7 CO 0.00 0.20 1.46 0.00 0.98 0.00 0.00 173.24 175.87 1k3i s ALA 8 N -1.10 3.64 0.16 5.32 0.00 -1.26 -1.43 121.76 127.09 1k3i s ALA 8 Ca 0.18 1.33 -0.28 0.00 0.00 0.00 0.00 51.96 53.19 1k3i s ALA 8 Cb -0.11 -3.57 -0.07 0.00 0.00 0.00 0.00 23.12 19.37 1k3i s ALA 8 CO 0.09 -0.75 0.88 0.42 0.00 0.00 0.00 175.76 176.40 1k3i s ILE 9 N 0.13 4.36 0.25 0.00 1.01 0.06 -4.91 121.20 122.09 1k3i s ILE 9 Ca 0.61 1.92 -0.31 0.00 0.00 0.00 0.00 60.65 62.87 1k3i s ILE 9 Cb -0.42 -4.25 -0.12 0.00 0.01 0.00 0.00 42.46 37.68 1k3i s ILE 9 CO 0.42 0.44 1.67 -0.55 0.00 0.00 0.00 174.94 176.92 1k3i s SER 10 N -0.69 6.36 0.00 3.58 0.15 -1.26 -4.75 113.70 117.10 1k3i s SER 10 Ca 0.41 2.92 0.21 0.00 0.70 0.00 0.00 55.95 60.19 1k3i s SER 10 Cb -0.24 -2.62 0.27 0.00 -1.71 0.00 0.00 66.02 61.73 1k3i s SER 10 CO 0.29 -0.96 1.25 0.54 1.20 0.00 0.00 173.24 175.56 1k3i n ARG 11 N 3.14 2.14 -0.12 5.44 1.74 -1.26 -4.62 116.66 123.13 1k3i n ARG 11 Ca 0.12 -1.96 0.14 0.00 -0.77 0.00 0.00 57.85 55.39 1k3i n ARG 11 Cb 0.36 -1.43 0.51 0.00 -1.02 0.00 0.00 32.46 30.88 1k3i n ARG 11 CO 0.00 0.00 0.00 -2.95 -1.52 0.00 0.00 177.63 173.16 1k3i h ASN 12 N 4.06 0.36 -0.31 0.55 -1.07 -1.93 -2.15 115.58 115.08 1k3i h ASN 12 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.38 1k3i h ASN 12 Cb 0.89 -0.06 0.00 0.00 -2.07 0.00 0.00 38.32 37.08 1k3i h ASN 12 CO 0.00 0.20 0.00 0.59 0.07 0.00 0.00 177.43 178.29 1k3i n ASN 13 N -4.47 3.33 -4.76 6.14 3.02 -1.26 -5.01 115.26 112.25 1k3i n ASN 13 Ca 0.12 -1.98 -0.37 0.00 -0.03 0.00 0.00 54.58 52.32 1k3i n ASN 13 Cb 0.46 -0.20 0.01 0.00 -0.61 0.00 0.00 39.78 39.45 1k3i n ASN 13 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1k3i s TRP 14 N -1.55 2.62 -0.23 3.10 0.52 -0.81 -4.75 118.94 117.84 1k3i s TRP 14 Ca 0.36 1.48 0.01 0.00 0.02 0.00 0.00 56.10 57.96 1k3i s TRP 14 Cb 0.22 -3.53 0.03 0.00 -1.15 0.00 0.00 33.47 29.04 1k3i s TRP 14 CO 0.30 -2.04 -0.12 0.00 0.02 0.00 0.00 176.95 175.11 1k3i s ALA 15 N -1.48 2.54 0.05 0.98 0.00 -0.77 -4.98 121.76 118.11 1k3i s ALA 15 Ca 0.68 -1.48 0.06 0.00 0.00 0.00 0.00 51.96 51.21 1k3i s ALA 15 Cb -0.32 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.26 1k3i s ALA 15 CO 0.38 -0.79 -0.10 0.14 0.00 0.00 0.00 175.76 175.40 1k3i s VAL 16 N 1.24 3.38 0.02 0.00 -7.23 -1.26 -0.95 120.40 115.59 1k3i s VAL 16 Ca -0.01 -1.05 -0.01 0.00 -1.81 0.00 0.00 61.98 59.09 1k3i s VAL 16 Cb -0.17 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.25 1k3i s VAL 16 CO -0.07 0.27 -0.00 0.42 -0.31 0.00 0.00 175.10 175.40 1k3i s THR 17 N -1.07 0.10 0.14 5.32 -4.23 -0.51 -4.91 115.64 110.47 1k3i s THR 17 Ca 0.18 -0.86 -0.00 0.00 -1.18 0.00 0.00 61.69 59.84 1k3i s THR 17 Cb -0.11 -0.28 -0.04 0.00 1.34 0.00 0.00 72.50 73.41 1k3i s THR 17 CO 0.10 -0.47 0.04 0.00 -0.54 0.00 0.00 174.62 173.74 1k3i h ASP 19 N 2.84 0.00 -4.42 0.00 2.03 -1.92 -3.46 116.42 111.49 1k3i h ASP 19 Ca -0.35 0.00 0.10 0.00 -0.73 0.00 0.00 57.03 56.05 1k3i h ASP 19 Cb 1.20 0.00 -0.19 0.00 -0.83 0.00 0.00 39.33 39.51 1k3i h ASP 19 CO 0.60 0.37 0.52 -0.94 -1.03 0.00 0.00 179.24 178.76 1k3i s SER 20 N -6.63 -0.36 -0.23 4.15 1.04 -1.26 -5.06 113.70 105.34 1k3i s SER 20 Ca -0.02 0.19 -0.11 0.00 0.48 0.00 0.00 55.95 56.49 1k3i s SER 20 Cb 0.13 0.34 0.08 0.00 0.10 0.00 0.00 66.02 66.68 1k3i s SER 20 CO 0.70 -0.49 0.54 0.00 0.98 0.00 0.00 173.24 174.97 1k3i s ALA 21 N -2.20 -1.49 0.54 5.32 0.00 -1.26 -4.29 121.76 118.37 1k3i s ALA 21 Ca 0.02 1.94 -0.20 0.00 0.00 0.00 0.00 51.96 53.71 1k3i s ALA 21 Cb -0.01 -1.31 -0.05 0.00 0.00 0.00 0.00 23.12 21.75 1k3i s ALA 21 CO -0.04 -0.52 1.18 -1.14 0.00 0.00 0.00 175.76 175.24 1k3i s GLN 22 N 1.99 3.31 0.10 0.00 2.00 -0.12 -4.76 119.66 122.18 1k3i s GLN 22 Ca -0.07 1.77 -0.31 0.00 -2.00 0.00 0.00 55.36 54.74 1k3i s GLN 22 Cb -0.09 -2.09 -0.09 0.00 0.80 0.00 0.00 33.01 31.54 1k3i s GLN 22 CO -0.16 -0.92 1.60 0.45 -0.50 0.00 0.00 175.29 175.76 1k3i s SER 23 N -1.55 6.62 0.00 6.67 0.15 -1.26 -0.99 113.70 123.33 1k3i s SER 23 Ca 0.72 2.51 0.00 0.00 0.70 0.00 0.00 55.95 59.88 1k3i s SER 23 Cb -0.28 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.45 1k3i s SER 23 CO 0.32 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.52 1k3i n GLY 24 N 3.88 3.07 2.54 9.45 0.00 -1.26 -4.88 105.19 117.99 1k3i n GLY 24 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 1k3i n GLY 24 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1k3i n ASN 25 N 0.00 3.51 -4.48 1.61 4.13 -0.16 -4.90 115.26 114.96 1k3i n ASN 25 Ca 0.00 -3.34 -0.31 0.00 1.68 0.00 0.00 54.58 52.60 1k3i n ASN 25 Cb 0.00 -0.48 0.17 0.00 -1.54 0.00 0.00 39.78 37.92 1k3i n ASN 25 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1k3i n GLU 26 N -0.33 -0.95 0.21 3.52 4.71 -1.22 -2.35 120.64 124.23 1k3i n GLU 26 Ca 0.28 -0.23 0.06 0.00 -0.01 0.00 0.00 57.16 57.25 1k3i n GLU 26 Cb 0.72 -2.04 0.48 0.00 -1.01 0.00 0.00 31.44 29.59 1k3i n GLU 26 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1k3i n ASN 28 N -4.03 0.00 0.16 0.00 0.23 -1.26 -2.84 115.26 107.51 1k3i n ASN 28 Ca -0.02 -0.21 0.13 0.00 -0.53 0.00 0.00 54.58 53.95 1k3i n ASN 28 Cb 0.33 -0.25 0.53 0.00 -2.08 0.00 0.00 39.78 38.31 1k3i n ASN 28 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1k3i h LYS 29 N 0.00 0.00 -0.01 -3.83 1.79 -1.72 -1.88 116.57 110.92 1k3i h LYS 29 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1k3i h LYS 29 Cb 0.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 1k3i h LYS 29 CO 0.00 0.00 -0.19 0.00 -1.08 0.00 0.00 179.45 178.18 1k3i n ALA 30 N -1.84 2.93 -2.04 3.86 0.00 -1.13 -3.96 120.51 118.33 1k3i n ALA 30 Ca 0.02 -0.33 0.04 0.00 0.00 0.00 0.00 53.44 53.17 1k3i n ALA 30 Cb 0.25 -1.23 0.08 0.00 0.00 0.00 0.00 19.45 18.54 1k3i n ALA 30 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1k3i n ILE 31 N -0.83 0.74 1.15 0.00 -5.35 -0.72 -0.62 119.36 113.73 1k3i n ILE 31 Ca 0.13 -1.51 0.12 0.00 -0.27 0.00 0.00 62.75 61.22 1k3i n ILE 31 Cb 0.32 0.47 0.22 0.00 -1.74 0.00 0.00 39.64 38.91 1k3i n ILE 31 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1k3i n ASP 32 N -0.19 2.15 0.00 7.28 5.68 -1.11 -4.95 116.55 125.40 1k3i n ASP 32 Ca 0.09 -1.62 0.00 0.00 -0.50 0.00 0.00 54.79 52.77 1k3i n ASP 32 Cb 0.90 0.13 0.00 0.00 -1.14 0.00 0.00 41.12 41.01 1k3i n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k3i n GLY 33 N 1.32 1.73 3.56 6.12 0.00 -1.26 -5.00 105.19 111.66 1k3i n GLY 33 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1k3i n GLY 33 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1k3i s ASN 34 N -3.36 6.26 0.32 1.61 3.84 -1.26 -4.93 114.94 117.42 1k3i s ASN 34 Ca 0.00 -0.07 0.25 0.00 0.21 0.00 0.00 52.86 53.25 1k3i s ASN 34 Cb 0.00 -2.24 1.09 0.00 -0.55 0.00 0.00 41.25 39.55 1k3i s ASN 34 CO 0.00 -0.40 1.76 0.11 -2.79 0.00 0.00 177.10 175.78 1k3i h LYS 35 N 8.43 0.00 -0.06 0.43 1.57 -1.95 -2.68 116.57 122.31 1k3i h LYS 35 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1k3i h LYS 35 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1k3i h LYS 35 CO 0.73 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 179.36 1k3i n ASP 36 N -2.38 2.20 -4.44 0.86 8.00 -1.26 -4.38 116.55 115.15 1k3i n ASP 36 Ca 0.01 -1.74 -0.32 0.00 0.71 0.00 0.00 54.79 53.46 1k3i n ASP 36 Cb 0.21 -0.03 -0.13 0.00 -0.02 0.00 0.00 41.12 41.15 1k3i n ASP 36 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1k3i s THR 37 N -1.94 2.76 0.04 -3.53 -4.23 -1.01 -4.98 115.64 102.75 1k3i s THR 37 Ca 0.34 -1.00 -0.08 0.00 -1.18 0.00 0.00 61.69 59.77 1k3i s THR 37 Cb 0.20 -2.10 -0.00 0.00 1.34 0.00 0.00 72.50 71.94 1k3i s THR 37 CO 0.31 0.48 0.15 0.72 -0.54 0.00 0.00 174.62 175.74 1k3i s PHE 38 N -0.80 0.12 0.29 3.99 -0.71 -1.26 -4.42 117.98 115.19 1k3i s PHE 38 Ca 0.13 -0.38 -0.24 0.00 -1.04 0.00 0.00 56.93 55.40 1k3i s PHE 38 Cb -0.10 -0.08 -0.09 0.00 -1.21 0.00 0.00 43.02 41.53 1k3i s PHE 38 CO 0.02 -0.39 0.88 -0.46 -1.34 0.00 0.00 175.22 173.93 1k3i s TRP 39 N -2.54 3.69 -0.11 3.49 -0.00 0.10 -4.51 118.94 119.05 1k3i s TRP 39 Ca -0.05 1.67 -0.07 0.00 -0.00 0.00 0.00 56.10 57.64 1k3i s TRP 39 Cb -0.01 -2.83 0.04 0.00 -0.00 0.00 0.00 33.47 30.66 1k3i s TRP 39 CO -0.04 0.25 0.27 -1.58 -0.00 0.00 0.00 176.95 175.86 1k3i s HIS 40 N -1.58 -0.34 0.95 5.86 5.65 -0.99 -1.68 115.29 123.16 1k3i s HIS 40 Ca 0.48 0.81 -0.12 0.00 0.25 0.00 0.00 55.06 56.47 1k3i s HIS 40 Cb -0.18 0.09 0.16 0.00 -1.18 0.00 0.00 32.58 31.47 1k3i s HIS 40 CO 0.23 -0.21 1.12 0.95 -0.65 0.00 0.00 174.74 176.18 1k3i s THR 41 N 0.81 2.03 0.28 0.89 -4.23 -0.71 -0.94 115.64 113.77 1k3i s THR 41 Ca -0.05 0.01 -0.28 0.00 -1.18 0.00 0.00 61.69 60.18 1k3i s THR 41 Cb -0.07 -2.64 -0.14 0.00 1.34 0.00 0.00 72.50 70.99 1k3i s THR 41 CO -0.05 -0.01 0.94 0.49 -0.54 0.00 0.00 174.62 175.44 1k3i n PHE 42 N -3.96 1.02 -3.80 3.99 0.99 -1.26 -4.21 117.46 110.22 1k3i n PHE 42 Ca 0.06 0.74 -0.07 0.00 -0.00 0.00 0.00 57.45 58.18 1k3i n PHE 42 Cb 0.58 -2.21 -0.02 0.00 -1.00 0.00 0.00 39.48 36.84 1k3i n PHE 42 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.76 178.28 1k3i s TYR 43 N -1.05 -0.23 0.00 1.38 -0.85 -0.84 -4.25 117.35 111.52 1k3i s TYR 43 Ca 0.59 -0.19 0.00 0.00 -0.52 0.00 0.00 57.07 56.95 1k3i s TYR 43 Cb -0.73 0.69 0.00 0.00 0.38 0.00 0.00 41.96 42.29 1k3i s TYR 43 CO 0.59 -1.17 0.00 0.41 -1.52 0.00 0.00 175.55 173.86 1k3i n GLY 44 N -0.45 3.78 0.31 5.49 0.00 -1.24 -2.59 105.19 110.49 1k3i n GLY 44 Ca -0.06 -0.02 0.16 0.00 0.00 0.00 0.00 46.02 46.11 1k3i n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k3i h ALA 45 N -0.87 1.56 -0.13 4.61 0.00 -2.04 -0.63 119.26 121.76 1k3i h ALA 45 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1k3i h ALA 45 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1k3i h ALA 45 CO 0.00 -0.08 0.00 0.09 0.00 0.00 0.00 179.25 179.26 1k3i n ASN 46 N -3.77 1.53 0.00 0.00 3.02 -1.07 -5.04 115.26 109.93 1k3i n ASN 46 Ca -0.02 -1.65 0.00 0.00 -0.03 0.00 0.00 54.58 52.88 1k3i n ASN 46 Cb 0.15 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 1k3i n ASN 46 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k3i n GLY 47 N 1.12 -0.54 2.38 7.41 0.00 -0.24 -4.71 105.19 110.60 1k3i n GLY 47 Ca 0.17 -1.75 -0.26 0.00 0.00 0.00 0.00 46.02 44.18 1k3i n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1k3i n ASP 48 N -1.07 3.03 -4.71 1.61 8.00 -1.26 -1.98 116.55 120.16 1k3i n ASP 48 Ca 0.00 -3.29 -0.43 0.00 0.71 0.00 0.00 54.79 51.78 1k3i n ASP 48 Cb 0.00 -0.66 -0.03 0.00 -0.02 0.00 0.00 41.12 40.41 1k3i n ASP 48 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1k3i n PRO 49 N 0.97 2.66 -1.94 -0.24 -0.04 -1.26 -4.86 135.00 130.30 1k3i n PRO 49 Ca 0.28 0.96 -0.29 0.00 -0.04 0.00 0.00 63.50 64.41 1k3i n PRO 49 Cb 0.43 -2.78 0.06 0.00 -0.04 0.00 0.00 33.50 31.17 1k3i n PRO 49 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1k3i s LYS 50 N 0.85 2.52 1.10 0.54 1.02 -1.26 -4.47 119.74 120.04 1k3i s LYS 50 Ca 0.74 0.28 -0.13 0.00 0.02 0.00 0.00 55.97 56.88 1k3i s LYS 50 Cb -0.53 -2.02 0.25 0.00 -0.52 0.00 0.00 37.83 35.00 1k3i s LYS 50 CO 0.36 -1.22 1.06 -2.14 -0.92 0.00 0.00 175.35 172.48 1k3i s PRO 51 N -5.41 -0.38 0.51 -1.68 0.02 -1.22 -4.72 135.00 122.12 1k3i s PRO 51 Ca 0.59 0.70 -0.21 0.00 0.02 0.00 0.00 61.00 62.10 1k3i s PRO 51 Cb -0.11 -1.63 -0.06 0.00 0.02 0.00 0.00 34.50 32.72 1k3i s PRO 51 CO 0.50 -3.32 1.17 -2.14 -0.33 0.00 0.00 177.00 172.88 1k3i s PRO 52 N -4.68 3.51 0.03 5.54 0.02 -1.26 -5.06 135.00 133.10 1k3i s PRO 52 Ca 0.67 1.76 0.08 0.00 0.02 0.00 0.00 61.00 63.52 1k3i s PRO 52 Cb -0.22 -2.22 -0.02 0.00 0.02 0.00 0.00 34.50 32.06 1k3i s PRO 52 CO 0.62 -0.75 -0.23 -1.01 -0.33 0.00 0.00 177.00 175.30 1k3i s HIS 53 N -1.61 1.98 0.02 6.54 3.76 -0.78 -4.97 115.29 120.24 1k3i s HIS 53 Ca 0.68 -0.38 0.06 0.00 -0.15 0.00 0.00 55.06 55.27 1k3i s HIS 53 Cb -0.28 -1.20 -0.02 0.00 1.11 0.00 0.00 32.58 32.19 1k3i s HIS 53 CO 0.33 0.08 -0.17 0.99 -0.85 0.00 0.00 174.74 175.11 1k3i s THR 54 N -0.74 1.36 -0.18 1.30 2.01 -1.26 -0.47 115.64 117.66 1k3i s THR 54 Ca 0.09 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.15 1k3i s THR 54 Cb -0.09 -1.18 0.03 0.00 0.01 0.00 0.00 72.50 71.27 1k3i s THR 54 CO 0.01 0.21 -0.12 -0.47 -0.69 0.00 0.00 174.62 173.56 1k3i s TYR 55 N -0.65 2.39 -0.10 4.92 5.04 -0.36 -2.76 117.35 125.84 1k3i s TYR 55 Ca 0.05 -1.50 0.02 0.00 -2.44 0.00 0.00 57.07 53.20 1k3i s TYR 55 Cb -0.08 -1.66 -0.02 0.00 0.35 0.00 0.00 41.96 40.56 1k3i s TYR 55 CO 0.01 -0.73 -0.16 0.99 -1.34 0.00 0.00 175.55 174.32 1k3i s THR 56 N 1.41 2.87 -0.13 4.34 2.01 0.22 -1.04 115.64 125.32 1k3i s THR 56 Ca 0.01 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.28 1k3i s THR 56 Cb -0.15 -2.16 -0.00 0.00 0.01 0.00 0.00 72.50 70.20 1k3i s THR 56 CO -0.09 0.55 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.57 1k3i s ILE 57 N -0.02 2.43 -0.39 1.82 1.01 0.87 -1.42 121.20 125.50 1k3i s ILE 57 Ca -0.04 -0.87 -0.08 0.00 0.00 0.00 0.00 60.65 59.66 1k3i s ILE 57 Cb -0.14 -1.99 0.06 0.00 0.01 0.00 0.00 42.46 40.40 1k3i s ILE 57 CO 0.04 0.54 0.20 -0.62 0.00 0.00 0.00 174.94 175.10 1k3i s ASP 58 N 0.62 5.54 0.00 3.58 -1.08 -0.13 -1.45 116.67 123.75 1k3i s ASP 58 Ca -0.10 -1.34 0.30 0.00 -0.52 0.00 0.00 52.55 50.88 1k3i s ASP 58 Cb -0.16 -1.95 1.71 0.00 -1.46 0.00 0.00 42.92 41.06 1k3i s ASP 58 CO 0.03 -0.45 2.11 0.23 0.52 0.00 0.00 175.17 177.60 1k3i n MET 59 N 4.89 1.06 0.00 4.34 2.81 0.04 -1.84 117.12 128.41 1k3i n MET 59 Ca -0.11 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.70 1k3i n MET 59 Cb 0.44 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.48 1k3i n MET 59 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1k3i n LYS 60 N -0.87 0.00 -4.10 0.03 4.76 -1.26 -4.80 118.16 111.93 1k3i n LYS 60 Ca 0.22 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.57 1k3i n LYS 60 Cb 0.12 -1.11 -0.10 0.00 -1.84 0.00 0.00 35.03 32.10 1k3i n LYS 60 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1k3i s THR 61 N -0.13 0.37 0.23 -0.18 -1.32 -1.26 -5.10 115.64 108.26 1k3i s THR 61 Ca 0.00 -1.68 -0.30 0.00 -1.21 0.00 0.00 61.69 58.51 1k3i s THR 61 Cb 0.00 -1.34 -0.09 0.00 -1.51 0.00 0.00 72.50 69.57 1k3i s THR 61 CO 0.00 -0.85 1.15 -0.89 -2.21 0.00 0.00 174.62 171.82 1k3i s THR 62 N -3.32 3.51 0.06 5.08 2.01 -1.26 -4.44 115.64 117.29 1k3i s THR 62 Ca 0.04 1.39 0.02 0.00 0.31 0.00 0.00 61.69 63.45 1k3i s THR 62 Cb 0.03 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 1k3i s THR 62 CO -0.06 0.28 -0.08 -1.10 -0.69 0.00 0.00 174.62 172.97 1k3i s GLN 63 N -0.86 0.65 -1.03 4.92 -1.52 -0.08 -4.91 119.66 116.83 1k3i s GLN 63 Ca 0.49 -0.96 -0.17 0.00 -1.95 0.00 0.00 55.36 52.77 1k3i s GLN 63 Cb -0.32 -0.30 0.15 0.00 -0.22 0.00 0.00 33.01 32.31 1k3i s GLN 63 CO 0.39 0.04 1.23 -0.80 -0.25 0.00 0.00 175.29 175.90 1k3i s ASN 64 N -2.08 6.79 0.02 5.90 0.01 -1.26 -0.87 114.94 123.45 1k3i s ASN 64 Ca -0.02 -2.40 -0.30 0.00 -0.71 0.00 0.00 52.86 49.43 1k3i s ASN 64 Cb -0.05 -2.40 -0.04 0.00 0.41 0.00 0.00 41.25 39.17 1k3i s ASN 64 CO -0.01 -0.94 1.10 -0.69 -1.51 0.00 0.00 177.10 175.04 1k3i s VAL 65 N 2.25 4.44 -0.02 1.60 1.01 -0.99 -0.46 120.40 128.24 1k3i s VAL 65 Ca 0.36 1.75 0.03 0.00 0.00 0.00 0.00 61.98 64.13 1k3i s VAL 65 Cb -0.04 -4.12 0.05 0.00 0.00 0.00 0.00 36.38 32.27 1k3i s VAL 65 CO -0.06 0.12 0.86 -0.46 0.00 0.00 0.00 175.10 175.56 1k3i n ASN 66 N 4.06 0.93 0.00 3.32 6.94 -0.53 -1.58 115.26 128.40 1k3i n ASN 66 Ca 0.08 -1.86 0.00 0.00 -0.02 0.00 0.00 54.58 52.78 1k3i n ASN 66 Cb 0.48 -0.12 0.00 0.00 -2.36 0.00 0.00 39.78 37.78 1k3i n ASN 66 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1k3i n GLY 67 N -0.38 0.93 3.27 4.83 0.00 -1.24 -1.85 105.19 110.75 1k3i n GLY 67 Ca 0.03 -1.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 1k3i n GLY 67 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1k3i s LEU 68 N 0.00 0.78 0.10 0.99 0.05 -0.36 -0.72 118.68 119.51 1k3i s LEU 68 Ca 0.00 -0.15 0.08 0.00 0.05 0.00 0.00 54.13 54.11 1k3i s LEU 68 Cb 0.00 1.44 -0.03 0.00 -2.05 0.00 0.00 46.19 45.54 1k3i s LEU 68 CO 0.00 -0.63 -0.20 -0.94 -0.55 0.00 0.00 176.35 174.03 1k3i s SER 69 N -2.05 2.42 -0.14 1.48 1.04 -0.18 -1.22 113.70 115.06 1k3i s SER 69 Ca -0.05 -0.68 -0.02 0.00 0.48 0.00 0.00 55.95 55.68 1k3i s SER 69 Cb -0.01 -0.13 0.04 0.00 0.10 0.00 0.00 66.02 66.03 1k3i s SER 69 CO -0.03 0.04 0.02 -0.32 0.98 0.00 0.00 173.24 173.92 1k3i s MET 70 N -1.89 0.66 -0.31 4.02 0.00 0.34 -1.92 119.30 120.20 1k3i s MET 70 Ca 0.05 -0.18 -0.13 0.00 0.00 0.00 0.00 55.69 55.44 1k3i s MET 70 Cb -0.10 -1.59 -0.03 0.00 0.00 0.00 0.00 34.83 33.11 1k3i s MET 70 CO 0.04 -0.48 0.25 -1.17 0.00 0.00 0.00 175.02 173.66 1k3i s LEU 71 N 1.91 4.28 0.90 4.11 2.96 0.19 -0.91 118.68 132.12 1k3i s LEU 71 Ca 0.02 -0.17 -0.12 0.00 -0.22 0.00 0.00 54.13 53.63 1k3i s LEU 71 Cb -0.15 -2.19 0.13 0.00 0.50 0.00 0.00 46.19 44.48 1k3i s LEU 71 CO -0.07 -0.18 1.13 -2.16 -1.32 0.00 0.00 176.35 173.75 1k3i s PRO 72 N 1.82 1.25 0.37 0.98 0.04 -1.26 -0.50 135.00 137.69 1k3i s PRO 72 Ca 0.08 0.35 -0.27 0.00 0.04 0.00 0.00 61.00 61.20 1k3i s PRO 72 Cb -0.17 -1.85 -0.11 0.00 0.04 0.00 0.00 34.50 32.41 1k3i s PRO 72 CO 0.11 -2.13 1.26 2.89 0.04 0.00 0.00 177.00 179.16 1k3i n ARG 73 N -3.73 2.00 -0.53 4.56 1.85 -1.26 -4.36 116.66 115.18 1k3i n ARG 73 Ca 0.07 0.70 0.08 0.00 -1.00 0.00 0.00 57.85 57.70 1k3i n ARG 73 Cb 0.59 -2.31 0.29 0.00 -1.05 0.00 0.00 32.46 29.97 1k3i n ARG 73 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1k3i n GLN 74 N 0.37 3.33 -0.20 2.89 1.13 -1.26 -4.62 117.38 119.02 1k3i n GLN 74 Ca 0.06 -2.88 0.09 0.00 -1.94 0.00 0.00 57.00 52.33 1k3i n GLN 74 Cb 0.37 -1.91 0.26 0.00 0.11 0.00 0.00 30.24 29.07 1k3i n GLN 74 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1k3i n ASP 75 N -0.22 2.57 0.00 1.08 5.75 -1.26 -4.91 116.55 119.55 1k3i n ASP 75 Ca 0.22 -1.93 0.00 0.00 -0.01 0.00 0.00 54.79 53.07 1k3i n ASP 75 Cb 0.94 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.76 1k3i n ASP 75 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k3i n GLY 76 N 1.29 3.28 3.75 6.12 0.00 -1.26 -5.03 105.19 113.34 1k3i n GLY 76 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1k3i n GLY 76 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1k3i s ASN 77 N -0.79 7.56 0.00 1.61 3.84 -1.26 -4.97 114.94 120.92 1k3i s ASN 77 Ca 0.00 1.84 0.24 0.00 0.21 0.00 0.00 52.86 55.15 1k3i s ASN 77 Cb 0.00 -2.58 0.16 0.00 -0.55 0.00 0.00 41.25 38.28 1k3i s ASN 77 CO 0.00 0.11 1.23 0.00 -2.79 0.00 0.00 177.10 175.65 1k3i n GLN 78 N 1.87 2.17 -1.65 0.43 6.02 -1.26 -4.84 117.38 120.12 1k3i n GLN 78 Ca -0.02 -1.80 -0.42 0.00 -0.01 0.00 0.00 57.00 54.75 1k3i n GLN 78 Cb 0.48 -1.46 -0.03 0.00 1.02 0.00 0.00 30.24 30.25 1k3i n GLN 78 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1k3i s ASN 79 N -2.06 6.14 0.00 1.08 0.01 -1.26 -1.87 114.94 116.98 1k3i s ASN 79 Ca 0.27 2.44 0.00 0.00 -0.71 0.00 0.00 52.86 54.86 1k3i s ASN 79 Cb 0.20 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.33 1k3i s ASN 79 CO 0.34 -1.34 0.00 0.61 -1.51 0.00 0.00 177.10 175.20 1k3i n GLY 80 N 4.92 0.98 3.65 0.66 0.00 -1.26 -4.59 105.19 109.55 1k3i n GLY 80 Ca 0.23 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.76 1k3i n GLY 80 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1k3i n TRP 81 N -1.66 2.00 -2.80 1.61 7.02 -0.78 -1.61 117.44 121.21 1k3i n TRP 81 Ca 0.00 0.39 -0.41 0.00 -1.02 0.00 0.00 57.50 56.45 1k3i n TRP 81 Cb 0.00 -2.48 -0.03 0.00 -2.42 0.00 0.00 31.31 26.38 1k3i n TRP 81 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 1k3i s ILE 82 N 1.33 4.91 0.00 -0.99 1.01 -1.26 -0.05 121.20 126.15 1k3i s ILE 82 Ca 0.84 1.89 0.00 0.00 0.00 0.00 0.00 60.65 63.38 1k3i s ILE 82 Cb -0.81 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 37.42 1k3i s ILE 82 CO 0.45 0.18 0.00 0.61 0.00 0.00 0.00 174.94 176.18 1k3i n GLY 83 N 2.96 -0.00 3.77 6.18 0.00 -0.30 -4.42 105.19 113.38 1k3i n GLY 83 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1k3i n GLY 83 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k3i s ARG 84 N 0.57 4.46 0.26 1.61 0.52 -1.22 -1.49 118.95 123.66 1k3i s ARG 84 Ca 0.00 2.03 -0.18 0.00 -0.52 0.00 0.00 55.73 57.06 1k3i s ARG 84 Cb 0.00 -3.10 0.01 0.00 0.52 0.00 0.00 34.95 32.38 1k3i s ARG 84 CO 0.00 -0.03 0.62 -3.38 0.02 0.00 0.00 175.30 172.53 1k3i s HIS 85 N -1.16 -0.01 -0.00 -0.53 -3.43 -0.25 -0.60 115.29 109.31 1k3i s HIS 85 Ca 0.47 -0.40 -0.05 0.00 -0.80 0.00 0.00 55.06 54.28 1k3i s HIS 85 Cb -0.36 0.51 -0.00 0.00 -1.43 0.00 0.00 32.58 31.30 1k3i s HIS 85 CO 0.47 -1.12 0.09 -1.21 -2.00 0.00 0.00 174.74 170.97 1k3i s GLU 86 N -3.94 0.38 -0.07 -0.38 2.02 -0.36 -2.09 118.70 114.26 1k3i s GLU 86 Ca 0.14 -0.34 0.04 0.00 0.02 0.00 0.00 54.97 54.83 1k3i s GLU 86 Cb -0.04 0.15 0.00 0.00 0.10 0.00 0.00 34.13 34.35 1k3i s GLU 86 CO 0.06 -0.08 -0.18 0.08 0.02 0.00 0.00 175.26 175.16 1k3i s VAL 87 N -1.13 1.58 0.11 2.63 1.01 -0.09 -0.68 120.40 123.82 1k3i s VAL 87 Ca -0.12 -0.76 0.09 0.00 0.00 0.00 0.00 61.98 61.18 1k3i s VAL 87 Cb -0.07 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1k3i s VAL 87 CO 0.01 0.45 -0.22 -0.31 0.00 0.00 0.00 175.10 175.03 1k3i s TYR 88 N 0.31 1.87 0.07 5.22 1.51 -0.20 -0.66 117.35 125.47 1k3i s TYR 88 Ca -0.12 -0.41 0.08 0.00 -1.01 0.00 0.00 57.07 55.61 1k3i s TYR 88 Cb -0.15 -1.02 -0.03 0.00 -0.11 0.00 0.00 41.96 40.65 1k3i s TYR 88 CO 0.05 0.23 -0.21 -0.51 -1.11 0.00 0.00 175.55 174.00 1k3i s LEU 89 N -1.94 2.23 -0.02 -1.29 1.43 -1.26 -1.22 118.68 116.62 1k3i s LEU 89 Ca 0.08 -0.61 -0.15 0.00 -1.03 0.00 0.00 54.13 52.42 1k3i s LEU 89 Cb -0.10 -0.93 0.02 0.00 0.03 0.00 0.00 46.19 45.22 1k3i s LEU 89 CO 0.05 0.11 0.32 -0.55 0.23 0.00 0.00 176.35 176.51 1k3i s SER 90 N -1.55 -0.21 0.10 2.29 0.15 -0.57 -4.67 113.70 109.24 1k3i s SER 90 Ca 0.07 0.13 0.22 0.00 0.70 0.00 0.00 55.95 57.07 1k3i s SER 90 Cb -0.09 0.33 -0.15 0.00 -1.71 0.00 0.00 66.02 64.40 1k3i s SER 90 CO 0.03 -0.44 0.79 -1.54 1.20 0.00 0.00 173.24 173.28 1k3i n SER 91 N 1.32 0.47 0.00 5.45 3.41 -1.26 -1.37 113.62 121.65 1k3i n SER 91 Ca -0.21 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1k3i n SER 91 Cb 0.56 1.13 0.00 0.00 -0.26 0.00 0.00 64.21 65.64 1k3i n SER 91 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1k3i n ASP 92 N -2.50 0.96 0.00 4.04 5.68 -1.26 -4.57 116.55 118.90 1k3i n ASP 92 Ca -0.02 -0.40 0.00 0.00 -0.50 0.00 0.00 54.79 53.87 1k3i n ASP 92 Cb 0.57 0.99 0.00 0.00 -1.14 0.00 0.00 41.12 41.54 1k3i n ASP 92 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k3i n GLY 93 N 1.28 0.82 0.00 6.12 0.00 -1.26 -4.82 105.19 107.32 1k3i n GLY 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1k3i n GLY 93 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k3i n THR 94 N -2.26 0.00 -3.59 2.61 -2.24 -1.26 -4.93 114.28 102.61 1k3i n THR 94 Ca 0.00 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 1k3i n THR 94 Cb 0.00 -0.89 -0.10 0.00 -2.10 0.00 0.00 70.33 67.24 1k3i n THR 94 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1k3i s ASN 95 N -2.95 5.68 0.01 3.42 2.47 -1.26 -4.93 114.94 117.39 1k3i s ASN 95 Ca 0.00 -1.41 0.22 0.00 0.42 0.00 0.00 52.86 52.09 1k3i s ASN 95 Cb 0.00 -2.00 -0.02 0.00 -1.45 0.00 0.00 41.25 37.78 1k3i s ASN 95 CO 0.00 -0.52 0.99 0.79 -3.72 0.00 0.00 177.10 174.64 1k3i n TRP 96 N 4.95 0.09 -4.87 0.43 7.02 -1.26 -4.55 117.44 119.25 1k3i n TRP 96 Ca -0.11 0.03 0.00 0.00 -1.02 0.00 0.00 57.50 56.40 1k3i n TRP 96 Cb 0.43 -0.24 0.00 0.00 -2.42 0.00 0.00 31.31 29.08 1k3i n TRP 96 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1k3i n GLY 97 N 1.43 1.99 3.89 6.99 0.00 -1.26 -4.30 105.19 113.93 1k3i n GLY 97 Ca 0.03 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 1k3i n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k3i s SER 98 N -4.00 6.06 0.30 1.61 1.04 -1.26 -5.06 113.70 112.38 1k3i s SER 98 Ca 0.00 0.07 -0.30 0.00 0.48 0.00 0.00 55.95 56.21 1k3i s SER 98 Cb 0.00 -1.75 -0.13 0.00 0.10 0.00 0.00 66.02 64.24 1k3i s SER 98 CO 0.00 0.06 1.39 -2.65 0.98 0.00 0.00 173.24 173.02 1k3i n PRO 99 N -0.45 2.20 0.11 4.02 -0.02 -1.26 -4.80 135.00 134.79 1k3i n PRO 99 Ca -0.07 0.78 0.12 0.00 -2.02 0.00 0.00 63.50 62.31 1k3i n PRO 99 Cb 0.54 -2.42 0.24 0.00 -0.02 0.00 0.00 33.50 31.84 1k3i n PRO 99 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1k3i h VAL 100 N 2.88 0.00 -2.25 -1.45 -1.51 -1.27 -3.45 116.25 109.20 1k3i h VAL 100 Ca -0.46 -0.61 -0.07 0.00 -1.23 0.00 0.00 66.70 64.32 1k3i h VAL 100 Cb 1.27 1.41 -0.20 0.00 -2.13 0.00 0.00 31.29 31.64 1k3i h VAL 100 CO 0.70 0.00 0.06 0.00 -1.23 0.00 0.00 177.57 177.10 1k3i s ALA 101 N -3.17 -1.53 0.06 5.19 0.00 -1.22 -1.82 121.76 119.27 1k3i s ALA 101 Ca 0.07 1.32 -0.23 0.00 0.00 0.00 0.00 51.96 53.12 1k3i s ALA 101 Cb 0.11 -0.35 0.06 0.00 0.00 0.00 0.00 23.12 22.94 1k3i s ALA 101 CO 0.67 -0.33 0.55 -1.54 0.00 0.00 0.00 175.76 175.12 1k3i s SER 102 N -0.67 -0.49 0.00 0.00 1.04 -0.67 -0.92 113.70 112.00 1k3i s SER 102 Ca -0.08 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.54 1k3i s SER 102 Cb -0.02 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1k3i s SER 102 CO 0.06 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.12 1k3i n GLY 103 N 0.26 -0.28 2.88 7.32 0.00 -0.89 -0.80 105.19 113.68 1k3i n GLY 103 Ca -0.18 -1.03 -0.18 0.00 0.00 0.00 0.00 46.02 44.63 1k3i n GLY 103 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1k3i s SER 104 N -4.00 0.64 0.07 1.61 0.01 -0.51 -1.09 113.70 110.43 1k3i s SER 104 Ca 0.00 -0.08 -0.10 0.00 1.31 0.00 0.00 55.95 57.08 1k3i s SER 104 Cb 0.00 -0.27 -0.06 0.00 0.21 0.00 0.00 66.02 65.91 1k3i s SER 104 CO 0.00 -0.04 0.39 0.26 0.41 0.00 0.00 173.24 174.26 1k3i s TRP 105 N 0.69 3.60 0.56 2.43 0.51 -0.55 -2.74 118.94 123.43 1k3i s TRP 105 Ca -0.08 0.79 -0.19 0.00 -2.12 0.00 0.00 56.10 54.49 1k3i s TRP 105 Cb -0.11 -2.16 -0.05 0.00 -0.81 0.00 0.00 33.47 30.35 1k3i s TRP 105 CO -0.01 0.54 1.19 0.12 -0.51 0.00 0.00 176.95 178.28 1k3i s PHE 106 N -1.36 2.51 -1.13 -1.98 5.36 -1.26 -4.59 117.98 115.53 1k3i s PHE 106 Ca 0.32 1.52 -0.18 0.00 -0.96 0.00 0.00 56.93 57.63 1k3i s PHE 106 Cb -0.14 -3.43 0.11 0.00 -0.34 0.00 0.00 43.02 39.22 1k3i s PHE 106 CO 0.17 -1.98 1.45 0.00 -1.46 0.00 0.00 175.22 173.40 1k3i s ALA 107 N -1.63 3.40 0.34 11.12 0.00 -1.26 -4.91 121.76 128.81 1k3i s ALA 107 Ca 0.75 -2.87 -0.14 0.00 0.00 0.00 0.00 51.96 49.69 1k3i s ALA 107 Cb -0.29 -4.34 0.03 0.00 0.00 0.00 0.00 23.12 18.52 1k3i s ALA 107 CO 0.32 -3.15 0.68 0.16 0.00 0.00 0.00 175.76 173.78 1k3i s ASP 108 N 3.85 0.08 0.00 0.00 -4.77 -1.26 -5.06 116.67 109.52 1k3i s ASP 108 Ca 0.44 -1.05 0.25 0.00 -3.30 0.00 0.00 52.55 48.89 1k3i s ASP 108 Cb -0.01 0.76 1.42 0.00 -1.09 0.00 0.00 42.92 44.00 1k3i s ASP 108 CO -0.02 -1.48 1.92 -1.54 0.70 0.00 0.00 175.17 174.75 1k3i n SER 109 N -1.06 0.18 -4.78 2.11 3.41 -1.26 -4.91 113.62 107.31 1k3i n SER 109 Ca -0.05 -1.27 -0.33 0.00 -0.26 0.00 0.00 58.87 56.97 1k3i n SER 109 Cb 0.60 -0.01 0.04 0.00 -0.26 0.00 0.00 64.21 64.59 1k3i n SER 109 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1k3i s THR 110 N -1.99 3.34 0.21 6.66 -4.23 -1.26 -4.57 115.64 113.80 1k3i s THR 110 Ca 0.37 0.62 -0.30 0.00 -1.18 0.00 0.00 61.69 61.20 1k3i s THR 110 Cb 0.17 -3.14 -0.09 0.00 1.34 0.00 0.00 72.50 70.78 1k3i s THR 110 CO 0.29 -0.39 1.40 -0.89 -0.54 0.00 0.00 174.62 174.49 1k3i s THR 111 N -2.37 2.91 0.13 3.99 2.01 -1.26 -4.52 115.64 116.52 1k3i s THR 111 Ca 0.66 0.74 0.05 0.00 0.31 0.00 0.00 61.69 63.45 1k3i s THR 111 Cb -0.20 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1k3i s THR 111 CO 0.41 0.10 0.05 -0.54 -0.69 0.00 0.00 174.62 173.95 1k3i s LYS 112 N -0.02 2.65 0.11 4.92 -0.14 -0.08 -4.49 119.74 122.69 1k3i s LYS 112 Ca 0.60 -0.90 0.05 0.00 -1.36 0.00 0.00 55.97 54.36 1k3i s LYS 112 Cb -0.40 -2.54 -0.04 0.00 -1.68 0.00 0.00 37.83 33.17 1k3i s LYS 112 CO 0.39 0.51 -0.12 0.71 -0.76 0.00 0.00 175.35 176.08 1k3i s TYR 113 N -1.55 1.22 -0.27 3.18 1.51 -1.26 -0.50 117.35 119.68 1k3i s TYR 113 Ca 0.28 -0.63 -0.01 0.00 -1.01 0.00 0.00 57.07 55.69 1k3i s TYR 113 Cb -0.11 -0.65 0.09 0.00 -0.11 0.00 0.00 41.96 41.18 1k3i s TYR 113 CO 0.20 0.07 0.07 0.45 -1.11 0.00 0.00 175.55 175.23 1k3i s SER 114 N -2.55 3.66 -0.12 2.29 0.15 -0.36 -4.97 113.70 111.80 1k3i s SER 114 Ca 0.08 -1.34 -0.03 0.00 0.70 0.00 0.00 55.95 55.36 1k3i s SER 114 Cb -0.03 -0.78 -0.03 0.00 -1.71 0.00 0.00 66.02 63.47 1k3i s SER 114 CO 0.01 -0.37 -0.00 0.20 1.20 0.00 0.00 173.24 174.28 1k3i s ASN 115 N 1.70 5.17 0.27 5.45 0.01 -1.26 -1.23 114.94 125.05 1k3i s ASN 115 Ca 0.05 0.06 -0.13 0.00 -0.71 0.00 0.00 52.86 52.13 1k3i s ASN 115 Cb -0.17 -1.63 0.00 0.00 0.41 0.00 0.00 41.25 39.86 1k3i s ASN 115 CO -0.20 0.29 0.52 0.72 -1.51 0.00 0.00 177.10 176.93 1k3i s PHE 116 N -0.36 0.36 0.25 2.20 -0.12 -0.77 -4.77 117.98 114.77 1k3i s PHE 116 Ca 0.07 -0.74 -0.31 0.00 -0.05 0.00 0.00 56.93 55.90 1k3i s PHE 116 Cb -0.12 0.26 -0.13 0.00 -0.63 0.00 0.00 43.02 42.40 1k3i s PHE 116 CO 0.02 -1.07 1.48 0.39 -0.05 0.00 0.00 175.22 175.99 1k3i n GLU 117 N -0.42 2.24 -1.73 1.99 -0.58 -1.26 -4.52 120.64 116.37 1k3i n GLU 117 Ca -0.02 0.80 -0.42 0.00 -0.42 0.00 0.00 57.16 57.10 1k3i n GLU 117 Cb 0.61 -2.50 -0.01 0.00 -0.57 0.00 0.00 31.44 28.97 1k3i n GLU 117 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1k3i n THR 118 N 2.13 1.47 -3.68 2.62 -1.04 -1.26 -4.75 114.28 109.77 1k3i n THR 118 Ca 0.11 -0.37 -0.10 0.00 -2.04 0.00 0.00 64.05 61.65 1k3i n THR 118 Cb 0.33 -1.81 -0.10 0.00 -1.82 0.00 0.00 70.33 66.93 1k3i n THR 118 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1k3i s ARG 119 N -1.19 0.51 0.28 -2.82 3.52 -0.61 -4.96 118.95 113.67 1k3i s ARG 119 Ca 0.60 0.87 -0.30 0.00 -0.13 0.00 0.00 55.73 56.77 1k3i s ARG 119 Cb -0.53 0.08 -0.11 0.00 -1.56 0.00 0.00 34.95 32.83 1k3i s ARG 119 CO 0.56 -0.14 1.59 -2.14 -0.81 0.00 0.00 175.30 174.36 1k3i s PRO 120 N 1.20 4.14 -0.09 5.12 0.02 -1.26 -2.34 135.00 141.79 1k3i s PRO 120 Ca -0.07 2.55 -0.30 0.00 0.02 0.00 0.00 61.00 63.19 1k3i s PRO 120 Cb -0.07 -3.04 0.08 0.00 0.02 0.00 0.00 34.50 31.50 1k3i s PRO 120 CO -0.11 -0.62 0.76 0.00 -0.33 0.00 0.00 177.00 176.69 1k3i s ALA 121 N 0.13 -1.81 -0.06 -1.55 0.00 -0.05 -4.72 121.76 113.71 1k3i s ALA 121 Ca 0.64 1.42 0.13 0.00 0.00 0.00 0.00 51.96 54.15 1k3i s ALA 121 Cb -0.47 -0.23 -0.19 0.00 0.00 0.00 0.00 23.12 22.23 1k3i s ALA 121 CO 0.46 -0.35 0.21 -2.13 0.00 0.00 0.00 175.76 173.94 1k3i n ARG 122 N 0.98 0.96 -4.94 0.00 0.63 -0.64 -0.90 116.66 112.75 1k3i n ARG 122 Ca -0.17 -0.08 -0.29 0.00 -0.92 0.00 0.00 57.85 56.39 1k3i n ARG 122 Cb 0.57 -1.32 -0.15 0.00 0.45 0.00 0.00 32.46 32.01 1k3i n ARG 122 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1k3i s TYR 123 N -2.71 2.18 -0.01 -0.14 1.51 -0.47 -0.78 117.35 116.93 1k3i s TYR 123 Ca -0.05 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.62 1k3i s TYR 123 Cb 0.07 -1.33 -0.00 0.00 -0.11 0.00 0.00 41.96 40.59 1k3i s TYR 123 CO 0.54 0.07 -0.07 0.08 -1.11 0.00 0.00 175.55 175.06 1k3i s VAL 124 N -0.74 0.62 -0.04 0.71 1.01 -0.53 -1.51 120.40 119.93 1k3i s VAL 124 Ca 0.10 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.79 1k3i s VAL 124 Cb -0.10 -0.54 0.02 0.00 0.00 0.00 0.00 36.38 35.76 1k3i s VAL 124 CO 0.01 0.19 -0.06 -0.60 0.00 0.00 0.00 175.10 174.64 1k3i s ARG 125 N 0.01 0.94 -0.19 2.72 3.52 -0.35 -0.09 118.95 125.50 1k3i s ARG 125 Ca 0.00 -0.17 -0.03 0.00 -0.13 0.00 0.00 55.73 55.40 1k3i s ARG 125 Cb -0.05 -0.89 -0.01 0.00 -1.56 0.00 0.00 34.95 32.43 1k3i s ARG 125 CO -0.00 -0.03 -0.06 -1.17 -0.81 0.00 0.00 175.30 173.23 1k3i s LEU 126 N 0.74 2.90 -0.20 -0.88 2.96 -0.20 -1.04 118.68 122.95 1k3i s LEU 126 Ca -0.11 -0.35 -0.04 0.00 -0.22 0.00 0.00 54.13 53.42 1k3i s LEU 126 Cb -0.14 -1.72 -0.01 0.00 0.50 0.00 0.00 46.19 44.82 1k3i s LEU 126 CO 0.01 0.04 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.34 1k3i s VAL 127 N 1.11 3.48 -0.43 1.68 1.01 0.14 -1.22 120.40 126.17 1k3i s VAL 127 Ca 0.01 -0.47 -0.21 0.00 0.00 0.00 0.00 61.98 61.31 1k3i s VAL 127 Cb -0.15 -2.56 0.02 0.00 0.00 0.00 0.00 36.38 33.69 1k3i s VAL 127 CO -0.01 0.44 0.65 0.00 0.00 0.00 0.00 175.10 176.18 1k3i s ALA 128 N 1.16 3.36 0.02 5.51 0.00 0.38 -1.22 121.76 130.98 1k3i s ALA 128 Ca 0.02 -1.14 -0.13 0.00 0.00 0.00 0.00 51.96 50.71 1k3i s ALA 128 Cb -0.14 -3.29 -0.34 0.00 0.00 0.00 0.00 23.12 19.35 1k3i s ALA 128 CO -0.01 -1.72 0.97 0.82 0.00 0.00 0.00 175.76 175.82 1k3i h ILE 129 N 5.85 1.26 -3.88 0.00 1.08 -1.15 -2.07 117.51 118.61 1k3i h ILE 129 Ca -0.26 -2.73 -0.11 0.00 -0.39 0.00 0.00 64.86 61.38 1k3i h ILE 129 Cb 1.10 2.99 -0.16 0.00 -3.07 0.00 0.00 36.82 37.68 1k3i h ILE 129 CO 0.89 0.83 -0.49 0.42 -0.69 0.00 0.00 178.15 179.10 1k3i s THR 130 N -2.61 0.15 0.13 -0.27 -4.23 -1.05 -4.50 115.64 103.28 1k3i s THR 130 Ca -0.09 -1.26 -0.06 0.00 -1.18 0.00 0.00 61.69 59.10 1k3i s THR 130 Cb 0.05 -1.19 -0.06 0.00 1.34 0.00 0.00 72.50 72.64 1k3i s THR 130 CO 0.92 -0.70 0.38 -0.70 -0.54 0.00 0.00 174.62 173.99 1k3i s GLU 131 N -3.34 3.64 0.45 3.99 -6.30 -1.26 -1.14 118.70 114.73 1k3i s GLU 131 Ca 0.01 -0.05 0.26 0.00 -2.50 0.00 0.00 54.97 52.69 1k3i s GLU 131 Cb 0.03 -2.87 1.29 0.00 0.00 0.00 0.00 34.13 32.58 1k3i s GLU 131 CO -0.08 0.48 1.75 0.00 0.02 0.00 0.00 175.26 177.43 1k3i h ALA 132 N 2.97 2.59 -0.30 6.30 0.00 -0.73 -0.33 119.26 129.76 1k3i h ALA 132 Ca -0.46 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1k3i h ALA 132 Cb 1.17 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1k3i h ALA 132 CO 0.71 -1.02 0.00 0.09 0.00 0.00 0.00 179.25 179.03 1k3i n ASN 133 N -4.51 3.21 -0.02 0.00 5.03 -1.26 -4.96 115.26 112.76 1k3i n ASN 133 Ca 0.28 -2.35 -0.00 0.00 0.87 0.00 0.00 54.58 53.38 1k3i n ASN 133 Cb 1.10 -0.33 -0.00 0.00 -1.02 0.00 0.00 39.78 39.53 1k3i n ASN 133 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1k3i n GLY 134 N 0.13 0.46 3.85 7.41 0.00 -0.14 -5.03 105.19 111.87 1k3i n GLY 134 Ca 0.14 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1k3i n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k3i s GLN 135 N -0.40 1.97 0.36 1.61 -1.52 -1.26 -4.89 119.66 115.52 1k3i s GLN 135 Ca 0.00 0.33 0.18 0.00 -1.95 0.00 0.00 55.36 53.92 1k3i s GLN 135 Cb 0.00 -1.93 0.56 0.00 -0.22 0.00 0.00 33.01 31.42 1k3i s GLN 135 CO 0.00 -1.64 1.67 -1.35 -0.25 0.00 0.00 175.29 173.73 1k3i h PRO 136 N -1.09 0.00 -7.13 2.91 0.11 -1.89 -3.38 132.00 121.54 1k3i h PRO 136 Ca -0.47 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.16 1k3i h PRO 136 Cb 1.30 0.00 0.05 0.00 0.11 0.00 0.00 31.00 32.47 1k3i h PRO 136 CO 0.63 0.40 0.20 -1.58 -0.21 0.00 0.00 178.00 177.44 1k3i s TRP 137 N -3.46 3.33 -0.01 0.65 0.51 -1.26 -3.38 118.94 115.32 1k3i s TRP 137 Ca 0.01 0.74 0.01 0.00 -2.12 0.00 0.00 56.10 54.74 1k3i s TRP 137 Cb 0.10 -2.69 0.01 0.00 -0.81 0.00 0.00 33.47 30.08 1k3i s TRP 137 CO 0.70 -0.75 -0.02 0.99 -0.51 0.00 0.00 176.95 177.35 1k3i s THR 138 N -2.99 0.25 0.03 2.01 2.01 -1.26 -4.03 115.64 111.65 1k3i s THR 138 Ca 0.53 -0.07 -0.06 0.00 0.31 0.00 0.00 61.69 62.40 1k3i s THR 138 Cb -0.11 -0.25 -0.01 0.00 0.01 0.00 0.00 72.50 72.14 1k3i s THR 138 CO 0.46 0.10 0.11 -0.94 -0.69 0.00 0.00 174.62 173.66 1k3i s SER 139 N 0.29 0.14 -0.15 3.53 1.04 -0.63 -1.74 113.70 116.18 1k3i s SER 139 Ca -0.03 -0.46 -0.07 0.00 0.48 0.00 0.00 55.95 55.87 1k3i s SER 139 Cb -0.06 0.22 0.06 0.00 0.10 0.00 0.00 66.02 66.35 1k3i s SER 139 CO -0.01 -0.48 0.34 -0.63 0.98 0.00 0.00 173.24 173.45 1k3i s ILE 140 N -2.34 -0.16 -0.02 -1.02 1.01 -0.67 -4.60 121.20 113.40 1k3i s ILE 140 Ca -0.07 0.14 -0.17 0.00 0.00 0.00 0.00 60.65 60.55 1k3i s ILE 140 Cb -0.03 -0.53 -0.33 0.00 0.01 0.00 0.00 42.46 41.59 1k3i s ILE 140 CO -0.03 0.06 0.86 0.00 0.00 0.00 0.00 174.94 175.83 1k3i h ALA 141 N 7.43 -0.06 -2.68 9.38 0.00 -0.99 0.31 119.26 132.65 1k3i h ALA 141 Ca -0.32 -0.87 -0.12 0.00 0.00 0.00 0.00 54.91 53.59 1k3i h ALA 141 Cb 1.16 0.23 -0.27 0.00 0.00 0.00 0.00 17.79 18.91 1k3i h ALA 141 CO 0.28 0.65 -0.31 -1.21 0.00 0.00 0.00 179.25 178.66 1k3i s GLU 142 N -2.52 0.39 -0.06 0.00 0.41 -0.99 -4.25 118.70 111.68 1k3i s GLU 142 Ca -0.13 0.76 0.05 0.00 -0.41 0.00 0.00 54.97 55.24 1k3i s GLU 142 Cb 0.03 -0.01 -0.00 0.00 -1.78 0.00 0.00 34.13 32.37 1k3i s GLU 142 CO 0.87 -0.15 -0.21 -1.50 -0.49 0.00 0.00 175.26 173.78 1k3i s ILE 143 N 1.31 1.75 0.10 -1.63 2.07 0.21 -0.64 121.20 124.36 1k3i s ILE 143 Ca -0.09 -0.88 0.04 0.00 -1.41 0.00 0.00 60.65 58.31 1k3i s ILE 143 Cb -0.08 -1.50 -0.04 0.00 0.13 0.00 0.00 42.46 40.98 1k3i s ILE 143 CO -0.12 0.49 -0.10 0.20 -1.91 0.00 0.00 174.94 173.51 1k3i s ASN 144 N 0.05 1.45 -0.02 4.50 0.01 -0.81 -4.77 114.94 115.35 1k3i s ASN 144 Ca -0.07 -0.83 0.06 0.00 -0.71 0.00 0.00 52.86 51.31 1k3i s ASN 144 Cb -0.14 0.01 -0.01 0.00 0.41 0.00 0.00 41.25 41.52 1k3i s ASN 144 CO 0.04 -0.27 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.48 1k3i s VAL 145 N -2.52 1.47 0.05 1.60 1.01 -1.26 -1.01 120.40 119.74 1k3i s VAL 145 Ca 0.06 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.30 1k3i s VAL 145 Cb -0.02 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 1k3i s VAL 145 CO -0.00 0.42 -0.07 -0.36 0.00 0.00 0.00 175.10 175.08 1k3i s PHE 146 N -0.39 2.85 -0.02 5.22 0.40 0.10 -0.76 117.98 125.37 1k3i s PHE 146 Ca 0.06 -0.08 0.06 0.00 -0.60 0.00 0.00 56.93 56.37 1k3i s PHE 146 Cb -0.08 -1.54 -0.02 0.00 0.51 0.00 0.00 43.02 41.89 1k3i s PHE 146 CO -0.00 0.40 -0.21 1.14 0.70 0.00 0.00 175.22 177.24 1k3i s GLN 147 N -1.78 2.24 0.76 0.44 -2.07 -0.52 -1.45 119.66 117.28 1k3i s GLN 147 Ca 0.20 -0.85 -0.12 0.00 -1.82 0.00 0.00 55.36 52.77 1k3i s GLN 147 Cb -0.11 -2.17 0.05 0.00 -1.09 0.00 0.00 33.01 29.68 1k3i s GLN 147 CO 0.11 0.58 1.14 0.00 -1.32 0.00 0.00 175.29 175.80 1k3i s ALA 148 N -0.68 2.71 -0.34 2.60 0.00 0.39 -2.12 121.76 124.32 1k3i s ALA 148 Ca 0.11 -0.48 0.27 0.00 0.00 0.00 0.00 51.96 51.86 1k3i s ALA 148 Cb -0.10 -3.00 1.00 0.00 0.00 0.00 0.00 23.12 21.02 1k3i s ALA 148 CO 0.00 -1.45 1.80 0.66 0.00 0.00 0.00 175.76 176.77 1k3i h SER 149 N -0.88 0.00 -5.51 0.00 4.64 -1.89 -3.46 113.55 106.45 1k3i h SER 149 Ca -0.46 0.00 0.22 0.00 -0.47 0.00 0.00 61.79 61.08 1k3i h SER 149 Cb 1.29 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.32 1k3i h SER 149 CO 0.64 0.00 0.64 -0.94 -0.87 0.00 0.00 176.83 176.31 1k3i s SER 150 N -4.96 -0.05 -0.02 4.97 1.04 -1.26 -5.15 113.70 108.27 1k3i s SER 150 Ca 0.05 -0.46 -0.01 0.00 0.48 0.00 0.00 55.95 56.01 1k3i s SER 150 Cb 0.09 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.62 1k3i s SER 150 CO 0.51 -0.77 0.04 -0.47 0.98 0.00 0.00 173.24 173.52 1k3i s TYR 151 N -2.45 -0.02 -0.08 5.02 5.04 -1.26 -5.01 117.35 118.59 1k3i s TYR 151 Ca 0.19 0.13 -0.02 0.00 -2.44 0.00 0.00 57.07 54.93 1k3i s TYR 151 Cb -0.01 -0.09 0.03 0.00 0.35 0.00 0.00 41.96 42.24 1k3i s TYR 151 CO 0.02 -0.05 0.01 0.99 -1.34 0.00 0.00 175.55 175.18 1k3i s THR 152 N 0.50 0.32 0.49 4.34 2.01 -1.26 -5.13 115.64 116.91 1k3i s THR 152 Ca -0.04 0.12 -0.24 0.00 0.31 0.00 0.00 61.69 61.84 1k3i s THR 152 Cb -0.06 -0.51 -0.07 0.00 0.01 0.00 0.00 72.50 71.87 1k3i s THR 152 CO -0.02 0.22 1.41 0.00 -0.69 0.00 0.00 174.62 175.54 1k3i s ALA 153 N 1.99 3.08 0.52 7.40 0.00 -1.26 -4.95 121.76 128.54 1k3i s ALA 153 Ca 0.05 1.43 -0.21 0.00 0.00 0.00 0.00 51.96 53.22 1k3i s ALA 153 Cb -0.12 -3.59 -0.06 0.00 0.00 0.00 0.00 23.12 19.35 1k3i s ALA 153 CO -0.05 -1.28 1.22 -2.14 0.00 0.00 0.00 175.76 173.51 1k3i s PRO 154 N -2.63 3.37 0.11 0.00 0.02 -1.26 -4.99 135.00 129.62 1k3i s PRO 154 Ca 0.65 1.89 -0.24 0.00 0.02 0.00 0.00 61.00 63.32 1k3i s PRO 154 Cb -0.43 -2.22 -0.07 0.00 0.02 0.00 0.00 34.50 31.81 1k3i s PRO 154 CO 0.53 -0.90 0.73 -0.65 -0.33 0.00 0.00 177.00 176.39 1k3i s GLN 155 N -2.96 4.48 0.42 5.54 -0.21 -1.26 -5.03 119.66 120.65 1k3i s GLN 155 Ca 0.70 1.05 -0.26 0.00 0.02 0.00 0.00 55.36 56.87 1k3i s GLN 155 Cb -0.32 -3.29 -0.08 0.00 1.00 0.00 0.00 33.01 30.32 1k3i s GLN 155 CO 0.37 0.49 1.33 -2.14 -2.12 0.00 0.00 175.29 173.22 1k3i s PRO 156 N -0.78 3.86 0.00 2.91 0.02 -1.26 -3.00 135.00 136.75 1k3i s PRO 156 Ca 0.35 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.58 1k3i s PRO 156 Cb -0.22 -2.70 0.00 0.00 0.02 0.00 0.00 34.50 31.61 1k3i s PRO 156 CO 0.24 -0.60 0.00 0.41 -0.33 0.00 0.00 177.00 176.72 1k3i n GLY 157 N 0.64 1.25 1.21 0.52 0.00 -1.26 -4.92 105.19 102.63 1k3i n GLY 157 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 1k3i n GLY 157 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k3i n LEU 158 N 0.00 4.20 0.00 0.99 4.77 -1.16 -4.75 117.00 121.04 1k3i n LEU 158 Ca 0.00 -3.84 0.04 0.00 -0.03 0.00 0.00 56.01 52.18 1k3i n LEU 158 Cb 0.00 -0.64 -0.01 0.00 -2.33 0.00 0.00 43.42 40.44 1k3i n LEU 158 CO 0.00 1.31 -0.05 0.61 -1.33 0.00 0.00 177.39 177.93 1k3i n GLY 159 N -1.12 -2.13 3.19 -0.72 0.00 -1.26 -1.48 105.19 101.67 1k3i n GLY 159 Ca 0.34 -1.43 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 1k3i n GLY 159 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k3i s ARG 160 N -1.09 0.36 -0.12 1.61 1.81 -0.65 -4.68 118.95 116.20 1k3i s ARG 160 Ca 0.00 0.39 -0.07 0.00 -1.72 0.00 0.00 55.73 54.33 1k3i s ARG 160 Cb 0.00 0.18 -0.04 0.00 -0.45 0.00 0.00 34.95 34.64 1k3i s ARG 160 CO 0.00 -0.05 0.13 -1.58 -0.68 0.00 0.00 175.30 173.12 1k3i s TRP 161 N 0.09 3.56 0.00 -0.53 0.52 -1.26 -0.64 118.94 120.68 1k3i s TRP 161 Ca -0.01 0.49 0.00 0.00 0.02 0.00 0.00 56.10 56.61 1k3i s TRP 161 Cb -0.02 -1.94 0.00 0.00 -1.15 0.00 0.00 33.47 30.36 1k3i s TRP 161 CO 0.01 0.70 0.00 0.41 0.02 0.00 0.00 176.95 178.08 1k3i n GLY 162 N 2.06 3.64 3.37 0.98 0.00 0.34 -4.93 105.19 110.66 1k3i n GLY 162 Ca -0.20 -1.68 -0.24 0.00 0.00 0.00 0.00 46.02 43.91 1k3i n GLY 162 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1k3i n PRO 163 N -1.21 -0.78 -3.57 1.61 -0.04 -1.26 -4.49 135.00 125.26 1k3i n PRO 163 Ca 0.00 -1.98 -0.36 0.00 -0.04 0.00 0.00 63.50 61.12 1k3i n PRO 163 Cb 0.00 -1.00 -0.06 0.00 -0.04 0.00 0.00 33.50 32.40 1k3i n PRO 163 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1k3i s THR 164 N -3.26 5.09 -0.31 0.52 2.01 -0.76 -2.45 115.64 116.48 1k3i s THR 164 Ca 0.63 0.58 -0.05 0.00 0.31 0.00 0.00 61.69 63.16 1k3i s THR 164 Cb -0.02 -3.66 0.03 0.00 0.01 0.00 0.00 72.50 68.86 1k3i s THR 164 CO 0.44 0.42 0.06 -0.63 -0.69 0.00 0.00 174.62 174.22 1k3i s ILE 165 N -1.26 3.59 0.12 1.82 -1.09 0.66 -1.66 121.20 123.38 1k3i s ILE 165 Ca 0.29 -1.07 -0.28 0.00 -2.23 0.00 0.00 60.65 57.36 1k3i s ILE 165 Cb -0.15 -2.98 -0.07 0.00 -1.58 0.00 0.00 42.46 37.69 1k3i s ILE 165 CO 0.16 -0.07 0.89 -1.81 -1.23 0.00 0.00 174.94 172.88 1k3i s ASP 166 N 1.39 7.45 0.26 3.58 1.01 0.02 -1.70 116.67 128.68 1k3i s ASP 166 Ca -0.01 1.72 0.08 0.00 0.71 0.00 0.00 52.55 55.05 1k3i s ASP 166 Cb -0.19 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.14 1k3i s ASP 166 CO 0.01 0.03 -0.10 -0.76 0.21 0.00 0.00 175.17 174.56 1k3i s LEU 167 N -0.36 2.53 0.00 1.23 1.43 -0.28 -1.42 118.68 121.81 1k3i s LEU 167 Ca 0.43 -1.12 0.21 0.00 -1.03 0.00 0.00 54.13 52.61 1k3i s LEU 167 Cb -0.23 -0.71 0.59 0.00 0.03 0.00 0.00 46.19 45.87 1k3i s LEU 167 CO 0.28 -0.24 1.47 -0.81 0.23 0.00 0.00 176.35 177.28 1k3i n PRO 168 N -0.53 2.04 -4.05 1.29 -0.04 -1.11 -4.54 135.00 128.06 1k3i n PRO 168 Ca -0.06 -1.57 -0.10 0.00 -0.04 0.00 0.00 63.50 61.73 1k3i n PRO 168 Cb 0.62 -1.43 -0.07 0.00 -0.04 0.00 0.00 33.50 32.58 1k3i n PRO 168 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1k3i s ILE 169 N -1.64 0.01 -0.31 0.52 -4.36 -1.26 -4.66 121.20 109.50 1k3i s ILE 169 Ca 0.34 -1.57 -0.18 0.00 -0.26 0.00 0.00 60.65 58.98 1k3i s ILE 169 Cb 0.19 -2.21 -0.02 0.00 1.25 0.00 0.00 42.46 41.67 1k3i s ILE 169 CO 0.27 -0.06 0.50 -0.69 0.24 0.00 0.00 174.94 175.20 1k3i s VAL 170 N -4.05 5.05 -1.26 8.37 1.01 -1.26 -4.41 120.40 123.86 1k3i s VAL 170 Ca 0.26 0.54 -0.17 0.00 0.00 0.00 0.00 61.98 62.61 1k3i s VAL 170 Cb 0.02 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 1k3i s VAL 170 CO 0.08 -0.08 2.07 -0.81 0.00 0.00 0.00 175.10 176.36 1k3i n PRO 171 N 5.63 2.51 0.24 2.72 -0.04 -1.26 -4.42 135.00 140.38 1k3i n PRO 171 Ca -0.05 -2.52 0.12 0.00 -0.04 0.00 0.00 63.50 61.01 1k3i n PRO 171 Cb 0.49 -3.26 0.53 0.00 -0.04 0.00 0.00 33.50 31.22 1k3i n PRO 171 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k3i h ALA 172 N 6.90 1.04 -3.36 0.55 0.00 -1.74 -3.38 119.26 119.26 1k3i h ALA 172 Ca 0.50 -0.15 -0.23 0.00 0.00 0.00 0.00 54.91 55.03 1k3i h ALA 172 Cb 0.70 -0.03 -0.24 0.00 0.00 0.00 0.00 17.79 18.22 1k3i h ALA 172 CO 1.80 0.21 -0.72 0.00 0.00 0.00 0.00 179.25 180.54 1k3i s ALA 173 N -3.69 0.22 0.22 0.00 0.00 -0.88 -4.45 121.76 113.18 1k3i s ALA 173 Ca 0.00 -0.40 -0.20 0.00 0.00 0.00 0.00 51.96 51.36 1k3i s ALA 173 Cb 0.10 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.30 1k3i s ALA 173 CO 0.61 -0.05 0.61 0.00 0.00 0.00 0.00 175.76 176.93 1k3i s ALA 174 N -0.84 -1.14 0.08 0.00 0.00 -0.49 -1.45 121.76 117.91 1k3i s ALA 174 Ca -0.08 -0.13 -0.26 0.00 0.00 0.00 0.00 51.96 51.49 1k3i s ALA 174 Cb -0.06 0.87 0.07 0.00 0.00 0.00 0.00 23.12 24.01 1k3i s ALA 174 CO -0.00 -0.88 0.66 0.00 0.00 0.00 0.00 175.76 175.54 1k3i s ALA 175 N -3.87 -1.68 -0.46 0.00 0.00 -0.26 -0.43 121.76 115.06 1k3i s ALA 175 Ca 0.09 0.81 -0.17 0.00 0.00 0.00 0.00 51.96 52.68 1k3i s ALA 175 Cb -0.03 0.54 0.05 0.00 0.00 0.00 0.00 23.12 23.68 1k3i s ALA 175 CO -0.01 -0.63 0.48 0.42 0.00 0.00 0.00 175.76 176.02 1k3i s ILE 176 N -2.88 5.07 -0.38 0.00 -1.09 -0.95 -0.28 121.20 120.68 1k3i s ILE 176 Ca -0.02 -0.60 -0.29 0.00 -2.23 0.00 0.00 60.65 57.51 1k3i s ILE 176 Cb -0.01 -4.14 0.01 0.00 -1.58 0.00 0.00 42.46 36.74 1k3i s ILE 176 CO -0.06 -0.58 1.42 -0.70 -1.23 0.00 0.00 174.94 173.79 1k3i s GLU 177 N 2.14 3.64 0.35 2.79 -6.30 -0.54 -4.69 118.70 116.09 1k3i s GLU 177 Ca 0.11 1.05 0.05 0.00 -2.50 0.00 0.00 54.97 53.67 1k3i s GLU 177 Cb -0.20 -4.01 0.70 0.00 0.00 0.00 0.00 34.13 30.63 1k3i s GLU 177 CO 0.11 -1.48 1.96 -1.00 0.02 0.00 0.00 175.26 174.87 1k3i h PRO 178 N 10.53 0.78 0.00 4.30 0.13 -1.89 0.21 132.00 146.06 1k3i h PRO 178 Ca -0.28 -0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 64.72 1k3i h PRO 178 Cb 1.11 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 1k3i h PRO 178 CO 1.07 0.52 -0.40 1.79 -0.23 0.00 0.00 178.00 180.75 1k3i h THR 179 N 0.80 0.93 0.00 1.56 1.35 -1.94 -3.30 112.91 112.32 1k3i h THR 179 Ca 0.31 -1.60 -0.13 0.00 -0.55 0.00 0.00 66.41 64.44 1k3i h THR 179 Cb 0.21 1.97 -0.03 0.00 -1.73 0.00 0.00 68.15 68.57 1k3i h THR 179 CO -0.10 0.39 -1.84 -1.54 -0.25 0.00 0.00 175.52 172.18 1k3i n SER 180 N -3.54 1.50 0.00 5.36 3.41 -1.14 -5.00 113.62 114.21 1k3i n SER 180 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1k3i n SER 180 Cb 0.53 1.27 0.00 0.00 -0.26 0.00 0.00 64.21 65.74 1k3i n SER 180 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k3i n GLY 181 N 1.88 0.52 3.95 5.00 0.00 0.72 -5.03 105.19 112.23 1k3i n GLY 181 Ca -0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 1k3i n GLY 181 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k3i s ARG 182 N -0.04 3.45 -0.32 1.61 0.52 -1.22 -4.58 118.95 118.36 1k3i s ARG 182 Ca 0.00 -0.44 -0.21 0.00 -0.52 0.00 0.00 55.73 54.57 1k3i s ARG 182 Cb 0.00 -2.70 -0.00 0.00 0.52 0.00 0.00 34.95 32.76 1k3i s ARG 182 CO 0.00 0.17 0.65 0.08 0.02 0.00 0.00 175.30 176.22 1k3i s VAL 183 N -2.27 4.90 -0.09 3.52 1.01 -0.25 -1.47 120.40 125.75 1k3i s VAL 183 Ca 0.39 0.80 -0.15 0.00 0.00 0.00 0.00 61.98 63.02 1k3i s VAL 183 Cb -0.09 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 1k3i s VAL 183 CO 0.35 -0.21 0.39 -0.22 0.00 0.00 0.00 175.10 175.40 1k3i s LEU 184 N 2.68 4.34 0.02 3.92 2.96 0.61 -1.55 118.68 131.66 1k3i s LEU 184 Ca 0.26 0.76 0.03 0.00 -0.22 0.00 0.00 54.13 54.96 1k3i s LEU 184 Cb -0.15 -2.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.99 1k3i s LEU 184 CO 0.13 0.15 -0.10 -0.04 -1.32 0.00 0.00 176.35 175.17 1k3i s MET 185 N -0.04 0.69 0.16 1.98 -1.94 -0.44 -1.10 119.30 118.62 1k3i s MET 185 Ca 0.22 -0.56 -0.18 0.00 -1.71 0.00 0.00 55.69 53.45 1k3i s MET 185 Cb -0.15 -0.63 0.04 0.00 2.01 0.00 0.00 34.83 36.11 1k3i s MET 185 CO 0.09 0.15 0.50 1.67 -0.01 0.00 0.00 175.02 177.43 1k3i s TRP 186 N -0.72 -0.25 0.21 -0.03 -2.14 -0.53 -1.06 118.94 114.41 1k3i s TRP 186 Ca -0.01 -0.05 -0.17 0.00 2.66 0.00 0.00 56.10 58.53 1k3i s TRP 186 Cb -0.06 0.39 0.02 0.00 -3.10 0.00 0.00 33.47 30.72 1k3i s TRP 186 CO 0.00 -0.83 0.53 -1.54 -2.66 0.00 0.00 176.95 172.45 1k3i s SER 187 N -2.82 -0.23 0.70 -2.66 1.04 -0.37 -2.07 113.70 107.29 1k3i s SER 187 Ca 0.05 -0.55 0.03 0.00 0.48 0.00 0.00 55.95 55.96 1k3i s SER 187 Cb -0.00 0.59 0.13 0.00 0.10 0.00 0.00 66.02 66.84 1k3i s SER 187 CO -0.08 -1.08 0.96 -0.55 0.98 0.00 0.00 173.24 173.47 1k3i s SER 188 N -2.89 4.44 -0.04 7.02 0.15 -1.26 -0.80 113.70 120.32 1k3i s SER 188 Ca 0.11 -0.63 0.03 0.00 0.70 0.00 0.00 55.95 56.16 1k3i s SER 188 Cb -0.01 0.30 -0.00 0.00 -1.71 0.00 0.00 66.02 64.60 1k3i s SER 188 CO -0.01 -1.82 -0.13 -0.47 1.20 0.00 0.00 173.24 172.01 1k3i s TYR 189 N -3.04 1.37 -0.27 3.44 5.04 -1.25 -4.80 117.35 117.83 1k3i s TYR 189 Ca 0.66 -0.38 -0.24 0.00 -2.44 0.00 0.00 57.07 54.68 1k3i s TYR 189 Cb -0.04 -0.94 0.09 0.00 0.35 0.00 0.00 41.96 41.42 1k3i s TYR 189 CO 0.44 -0.14 0.83 0.50 -1.34 0.00 0.00 175.55 175.84 1k3i s ARG 190 N 0.12 0.71 -0.29 4.97 3.52 -1.26 -4.90 118.95 121.82 1k3i s ARG 190 Ca -0.04 0.87 0.05 0.00 -0.13 0.00 0.00 55.73 56.48 1k3i s ARG 190 Cb -0.10 0.33 0.20 0.00 -1.56 0.00 0.00 34.95 33.82 1k3i s ARG 190 CO 0.01 -0.09 0.63 1.21 -0.81 0.00 0.00 175.30 176.25 1k3i s ASN 191 N 0.42 -1.53 0.00 -2.12 3.84 -1.26 -3.65 114.94 110.63 1k3i s ASN 191 Ca 0.00 0.17 0.11 0.00 0.21 0.00 0.00 52.86 53.35 1k3i s ASN 191 Cb -0.05 1.97 0.58 0.00 -0.55 0.00 0.00 41.25 43.20 1k3i s ASN 191 CO -0.03 -0.28 1.26 0.47 -2.79 0.00 0.00 177.10 175.74 1k3i n ASP 192 N 5.38 0.00 0.19 -4.21 8.00 -1.26 -2.08 116.55 122.57 1k3i n ASP 192 Ca 0.05 0.12 0.14 0.00 0.71 0.00 0.00 54.79 55.81 1k3i n ASP 192 Cb 0.54 -0.28 0.45 0.00 -0.02 0.00 0.00 41.12 41.81 1k3i n ASP 192 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k3i h ALA 193 N 2.54 1.00 0.00 2.24 0.00 -1.97 -3.22 119.26 119.84 1k3i h ALA 193 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1k3i h ALA 193 Cb 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1k3i h ALA 193 CO 0.00 0.00 -1.64 1.19 0.00 0.00 0.00 179.25 178.80 1k3i n PHE 194 N -2.71 0.00 -0.86 0.00 0.99 -0.88 -4.96 117.46 109.04 1k3i n PHE 194 Ca 0.03 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.59 1k3i n PHE 194 Cb 0.37 -0.46 -0.04 0.00 -1.00 0.00 0.00 39.48 38.36 1k3i n PHE 194 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1k3i n GLY 195 N 2.51 -2.02 2.98 1.37 0.00 -1.06 -4.99 105.19 103.97 1k3i n GLY 195 Ca -0.16 -1.29 -0.05 0.00 0.00 0.00 0.00 46.02 44.52 1k3i n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k3i n GLY 196 N -3.26 -1.25 3.70 -0.02 0.00 -1.26 -4.88 105.19 98.22 1k3i n GLY 196 Ca -0.01 0.89 -0.43 0.00 0.00 0.00 0.00 46.02 46.47 1k3i n GLY 196 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1k3i n SER 197 N -1.02 3.78 0.25 1.61 2.88 -1.26 -4.93 113.62 114.93 1k3i n SER 197 Ca 0.05 1.06 -0.16 0.00 -1.33 0.00 0.00 58.87 58.49 1k3i n SER 197 Cb 0.49 -1.54 -0.08 0.00 -0.75 0.00 0.00 64.21 62.33 1k3i n SER 197 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1k3i h PRO 198 N 6.68 -0.73 0.00 -1.46 0.11 -1.91 -3.49 132.00 131.20 1k3i h PRO 198 Ca -0.44 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1k3i h PRO 198 Cb 1.22 0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.49 1k3i h PRO 198 CO 0.94 -0.49 0.00 0.41 -0.21 0.00 0.00 178.00 178.65 1k3i n GLY 199 N -1.46 2.01 3.81 -0.55 0.00 -1.26 -4.99 105.19 102.74 1k3i n GLY 199 Ca -0.10 -1.33 -0.25 0.00 0.00 0.00 0.00 46.02 44.34 1k3i n GLY 199 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k3i n GLY 200 N 2.49 -0.33 3.45 -0.02 0.00 -1.26 -4.77 105.19 104.74 1k3i n GLY 200 Ca 0.00 0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1k3i n GLY 200 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k3i s ILE 201 N -3.62 3.09 -0.10 -0.61 -1.09 -1.26 -1.02 121.20 116.58 1k3i s ILE 201 Ca 0.18 -0.69 0.04 0.00 -2.23 0.00 0.00 60.65 57.95 1k3i s ILE 201 Cb -0.09 -2.24 0.00 0.00 -1.58 0.00 0.00 42.46 38.55 1k3i s ILE 201 CO 0.83 0.57 -0.22 -0.89 -1.23 0.00 0.00 174.94 174.00 1k3i s THR 202 N -0.36 1.96 -0.19 2.92 2.01 -0.45 -3.86 115.64 117.68 1k3i s THR 202 Ca 0.04 -0.96 -0.07 0.00 0.31 0.00 0.00 61.69 61.01 1k3i s THR 202 Cb -0.12 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 1k3i s THR 202 CO 0.02 0.54 0.06 -0.76 -0.69 0.00 0.00 174.62 173.79 1k3i s LEU 203 N 0.44 3.80 0.05 4.42 1.43 0.02 -1.41 118.68 127.43 1k3i s LEU 203 Ca -0.17 0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.04 1k3i s LEU 203 Cb -0.17 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 1k3i s LEU 203 CO 0.07 0.16 -0.12 -0.89 0.23 0.00 0.00 176.35 175.80 1k3i s THR 204 N 0.42 0.93 0.34 5.49 2.01 -0.70 -1.24 115.64 122.90 1k3i s THR 204 Ca 0.03 -1.14 -0.06 0.00 0.31 0.00 0.00 61.69 60.83 1k3i s THR 204 Cb -0.12 -0.91 0.01 0.00 0.01 0.00 0.00 72.50 71.49 1k3i s THR 204 CO 0.00 -0.21 0.53 -0.55 -0.69 0.00 0.00 174.62 173.71 1k3i s SER 205 N -1.52 0.67 0.10 3.53 0.15 -0.23 -1.15 113.70 115.26 1k3i s SER 205 Ca -0.03 -1.38 -0.22 0.00 0.70 0.00 0.00 55.95 55.01 1k3i s SER 205 Cb -0.09 0.69 0.06 0.00 -1.71 0.00 0.00 66.02 64.97 1k3i s SER 205 CO 0.01 -1.35 0.55 -0.94 1.20 0.00 0.00 173.24 172.71 1k3i s SER 206 N -3.19 -0.49 -0.08 5.45 1.04 -1.26 -1.33 113.70 113.85 1k3i s SER 206 Ca 0.27 0.06 0.01 0.00 0.48 0.00 0.00 55.95 56.77 1k3i s SER 206 Cb -0.01 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.67 1k3i s SER 206 CO 0.18 -0.85 -0.09 0.86 0.98 0.00 0.00 173.24 174.32 1k3i s TRP 207 N -3.17 1.30 -0.39 5.02 -0.00 -0.60 -1.36 118.94 119.74 1k3i s TRP 207 Ca -0.01 -0.52 -0.14 0.00 -0.00 0.00 0.00 56.10 55.42 1k3i s TRP 207 Cb -0.00 -1.03 0.01 0.00 -0.00 0.00 0.00 33.47 32.45 1k3i s TRP 207 CO -0.08 -0.33 0.28 0.34 -0.00 0.00 0.00 176.95 177.17 1k3i s ASP 208 N 1.07 6.10 0.50 5.86 -1.08 -0.63 -1.09 116.67 127.39 1k3i s ASP 208 Ca -0.08 -0.77 0.16 0.00 -0.52 0.00 0.00 52.55 51.35 1k3i s ASP 208 Cb -0.14 -2.15 1.21 0.00 -1.46 0.00 0.00 42.92 40.37 1k3i s ASP 208 CO -0.01 -0.39 2.09 -0.65 0.52 0.00 0.00 175.17 176.73 1k3i h PRO 209 N 8.59 0.12 0.00 4.34 0.11 -1.90 0.77 132.00 144.03 1k3i h PRO 209 Ca -0.28 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.70 1k3i h PRO 209 Cb 1.13 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1k3i h PRO 209 CO 0.70 0.08 -0.59 0.66 -0.21 0.00 0.00 178.00 178.64 1k3i h SER 210 N 0.12 0.00 0.00 -2.05 4.64 -1.93 -3.34 113.55 110.99 1k3i h SER 210 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1k3i h SER 210 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1k3i h SER 210 CO -0.01 0.59 -1.16 0.35 -0.87 0.00 0.00 176.83 175.72 1k3i n THR 211 N -3.56 0.00 -0.99 2.95 -2.24 -0.99 -5.00 114.28 104.46 1k3i n THR 211 Ca -0.00 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1k3i n THR 211 Cb 0.65 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 1k3i n THR 211 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k3i n GLY 212 N 2.03 0.53 3.73 3.38 0.00 0.27 -5.00 105.19 110.13 1k3i n GLY 212 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1k3i n GLY 212 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k3i s ILE 213 N -2.26 4.81 -0.28 -0.61 1.01 -1.23 -4.80 121.20 117.83 1k3i s ILE 213 Ca 0.00 1.64 -0.09 0.00 0.00 0.00 0.00 60.65 62.20 1k3i s ILE 213 Cb 0.00 -4.12 -0.02 0.00 0.01 0.00 0.00 42.46 38.32 1k3i s ILE 213 CO 0.00 0.32 0.12 -0.69 0.00 0.00 0.00 174.94 174.69 1k3i s VAL 214 N 0.23 4.60 0.53 2.92 1.01 -1.26 -1.60 120.40 126.84 1k3i s VAL 214 Ca 0.40 -0.21 -0.19 0.00 0.00 0.00 0.00 61.98 61.97 1k3i s VAL 214 Cb -0.20 -3.24 -0.06 0.00 0.00 0.00 0.00 36.38 32.88 1k3i s VAL 214 CO 0.23 0.21 1.07 -0.94 0.00 0.00 0.00 175.10 175.67 1k3i s SER 215 N 1.64 5.99 0.53 3.32 1.04 -0.47 -4.74 113.70 121.02 1k3i s SER 215 Ca 0.06 1.98 -0.22 0.00 0.48 0.00 0.00 55.95 58.24 1k3i s SER 215 Cb -0.16 -2.56 -0.06 0.00 0.10 0.00 0.00 66.02 63.34 1k3i s SER 215 CO 0.06 -1.02 1.37 -1.81 0.98 0.00 0.00 173.24 172.82 1k3i s ASP 216 N -2.11 5.39 0.31 7.02 1.11 -1.26 -4.33 116.67 122.79 1k3i s ASP 216 Ca 0.68 2.80 -0.30 0.00 0.18 0.00 0.00 52.55 55.92 1k3i s ASP 216 Cb -0.19 -2.64 -0.11 0.00 1.07 0.00 0.00 42.92 41.05 1k3i s ASP 216 CO 0.26 -1.49 1.59 -0.60 1.18 0.00 0.00 175.17 176.11 1k3i s ARG 217 N -2.81 4.11 0.04 8.23 3.52 -1.26 -4.75 118.95 126.02 1k3i s ARG 217 Ca 0.69 2.60 0.06 0.00 -0.13 0.00 0.00 55.73 58.95 1k3i s ARG 217 Cb -0.41 -3.01 -0.03 0.00 -1.56 0.00 0.00 34.95 29.94 1k3i s ARG 217 CO 0.50 -0.63 -0.13 0.95 -0.81 0.00 0.00 175.30 175.17 1k3i s THR 218 N -0.19 3.13 -0.25 4.11 -4.23 -0.30 -4.94 115.64 112.96 1k3i s THR 218 Ca 0.62 -1.08 -0.03 0.00 -1.18 0.00 0.00 61.69 60.02 1k3i s THR 218 Cb -0.48 -2.36 0.02 0.00 1.34 0.00 0.00 72.50 71.02 1k3i s THR 218 CO 0.51 0.31 -0.04 -0.69 -0.54 0.00 0.00 174.62 174.17 1k3i s VAL 219 N -0.99 3.11 -0.11 2.29 1.01 -1.26 -1.72 120.40 122.73 1k3i s VAL 219 Ca 0.16 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.30 1k3i s VAL 219 Cb -0.11 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 1k3i s VAL 219 CO 0.07 0.23 -0.20 -0.89 0.00 0.00 0.00 175.10 174.32 1k3i s THR 220 N 1.38 2.46 -1.11 3.92 2.01 -0.50 -4.98 115.64 118.82 1k3i s THR 220 Ca 0.02 -0.88 -0.18 0.00 0.31 0.00 0.00 61.69 60.95 1k3i s THR 220 Cb -0.16 -1.98 0.11 0.00 0.01 0.00 0.00 72.50 70.48 1k3i s THR 220 CO -0.03 0.55 1.44 -0.69 -0.69 0.00 0.00 174.62 175.19 1k3i s VAL 221 N 0.28 4.45 -0.79 3.82 1.01 -1.26 -1.34 120.40 126.58 1k3i s VAL 221 Ca -0.14 -1.72 0.25 0.00 0.00 0.00 0.00 61.98 60.36 1k3i s VAL 221 Cb -0.17 -4.99 0.09 0.00 0.00 0.00 0.00 36.38 31.31 1k3i s VAL 221 CO 0.07 -1.77 1.46 0.35 0.00 0.00 0.00 175.10 175.21 1k3i n THR 222 N 5.85 0.25 -2.01 3.92 -2.24 -0.65 -4.91 114.28 114.49 1k3i n THR 222 Ca 0.36 -0.17 -0.21 0.00 -2.27 0.00 0.00 64.05 61.75 1k3i n THR 222 Cb 0.47 -0.12 -0.05 0.00 -2.10 0.00 0.00 70.33 68.53 1k3i n THR 222 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1k3i n LYS 223 N -1.90 -1.57 -3.67 -0.78 5.02 -0.19 -4.92 118.16 110.14 1k3i n LYS 223 Ca 0.05 1.13 -0.30 0.00 -2.02 0.00 0.00 58.31 57.17 1k3i n LYS 223 Cb 0.40 -5.66 -0.14 0.00 -0.02 0.00 0.00 35.03 29.61 1k3i n LYS 223 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1k3i s HIS 224 N -2.92 1.59 -0.47 2.13 2.46 -1.25 -4.81 115.29 112.02 1k3i s HIS 224 Ca 0.00 -1.95 -0.29 0.00 0.47 0.00 0.00 55.06 53.30 1k3i s HIS 224 Cb 0.00 -1.62 0.02 0.00 -0.13 0.00 0.00 32.58 30.85 1k3i s HIS 224 CO 0.00 -0.83 1.27 -0.51 -2.47 0.00 0.00 174.74 172.20 1k3i s ASP 225 N 1.06 6.46 0.00 9.88 1.01 -1.26 -4.53 116.67 129.29 1k3i s ASP 225 Ca 0.14 0.54 0.00 0.00 0.71 0.00 0.00 52.55 53.94 1k3i s ASP 225 Cb -0.21 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.17 1k3i s ASP 225 CO -0.11 -1.39 0.00 0.23 0.21 0.00 0.00 175.17 174.11 1k3i n MET 226 N 8.07 0.00 -0.26 8.23 2.81 -1.26 -0.96 117.12 133.75 1k3i n MET 226 Ca 0.13 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.02 1k3i n MET 226 Cb 0.49 -0.19 0.00 0.00 -0.71 0.00 0.00 33.22 32.80 1k3i n MET 226 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1k3i n PHE 227 N -0.23 0.00 0.00 2.03 3.01 -1.26 -1.82 117.46 119.18 1k3i n PHE 227 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1k3i n PHE 227 Cb 0.00 -0.69 0.00 0.00 -0.01 0.00 0.00 39.48 38.78 1k3i n PHE 227 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1k3i n PRO 229 N -2.00 -0.62 -3.69 -1.08 -0.04 -1.26 -5.03 135.00 121.28 1k3i n PRO 229 Ca 0.00 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.18 1k3i n PRO 229 Cb 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 1k3i n PRO 229 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1k3i s GLY 230 N 0.00 1.88 -0.04 0.55 0.00 -0.12 -4.71 107.32 104.88 1k3i s GLY 230 Ca 0.00 -0.78 -0.03 0.00 0.00 0.00 0.00 44.72 43.92 1k3i s GLY 230 CO 0.00 -0.72 0.11 -0.42 0.00 0.00 0.00 173.10 172.06 1k3i s ILE 231 N -1.83 -0.03 0.06 0.90 1.01 -1.26 -1.24 121.20 118.82 1k3i s ILE 231 Ca 0.39 0.09 -0.09 0.00 0.00 0.00 0.00 60.65 61.05 1k3i s ILE 231 Cb -0.11 -0.17 -0.00 0.00 0.01 0.00 0.00 42.46 42.19 1k3i s ILE 231 CO 0.28 0.04 0.18 -0.44 0.00 0.00 0.00 174.94 175.00 1k3i s SER 232 N 0.60 0.09 -0.25 3.58 0.01 -0.70 -4.57 113.70 112.45 1k3i s SER 232 Ca -0.05 -0.52 -0.01 0.00 1.31 0.00 0.00 55.95 56.69 1k3i s SER 232 Cb -0.06 0.30 0.03 0.00 0.21 0.00 0.00 66.02 66.51 1k3i s SER 232 CO -0.03 -0.63 -0.07 -0.32 0.41 0.00 0.00 173.24 172.61 1k3i s MET 233 N -3.16 2.68 1.19 12.44 1.75 -1.26 -0.03 119.30 132.91 1k3i s MET 233 Ca -0.00 -1.08 -0.18 0.00 -1.25 0.00 0.00 55.69 53.18 1k3i s MET 233 Cb 0.02 -2.97 0.28 0.00 2.84 0.00 0.00 34.83 34.99 1k3i s MET 233 CO -0.07 -0.45 1.07 0.16 -0.65 0.00 0.00 175.02 175.08 1k3i s ASP 234 N 1.27 1.00 0.53 1.11 1.47 -0.07 -4.77 116.67 117.21 1k3i s ASP 234 Ca -0.02 0.86 0.29 0.00 1.18 0.00 0.00 52.55 54.86 1k3i s ASP 234 Cb -0.17 -1.27 1.57 0.00 -0.34 0.00 0.00 42.92 42.71 1k3i s ASP 234 CO -0.05 -4.10 1.86 1.23 0.68 0.00 0.00 175.17 174.80 1k3i h GLY 235 N -2.56 0.00 -0.94 2.12 0.00 -1.70 0.17 103.07 100.16 1k3i h GLY 235 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1k3i h GLY 235 CO 0.40 0.00 -0.41 0.70 0.00 0.00 0.00 176.54 177.24 1k3i n ASN 236 N -2.65 2.00 0.00 0.19 3.02 -1.26 -2.78 115.26 113.78 1k3i n ASN 236 Ca -0.02 -1.49 0.00 0.00 -0.03 0.00 0.00 54.58 53.04 1k3i n ASN 236 Cb 0.22 0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 1k3i n ASN 236 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k3i n GLY 237 N 1.40 0.75 3.77 7.41 0.00 0.61 -4.92 105.19 114.22 1k3i n GLY 237 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1k3i n GLY 237 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1k3i s GLN 238 N -0.84 4.25 -0.07 1.61 0.74 -1.26 -4.76 119.66 119.33 1k3i s GLN 238 Ca 0.00 0.65 -0.30 0.00 0.05 0.00 0.00 55.36 55.76 1k3i s GLN 238 Cb 0.00 -3.32 -0.03 0.00 1.10 0.00 0.00 33.01 30.76 1k3i s GLN 238 CO 0.00 0.43 1.16 0.42 -0.55 0.00 0.00 175.29 176.75 1k3i s ILE 239 N -0.35 4.36 -0.22 -2.34 1.01 -1.26 -0.89 121.20 121.50 1k3i s ILE 239 Ca 0.29 1.67 -0.01 0.00 0.00 0.00 0.00 60.65 62.60 1k3i s ILE 239 Cb -0.18 -4.08 0.02 0.00 0.01 0.00 0.00 42.46 38.24 1k3i s ILE 239 CO 0.16 -0.01 -0.10 -0.69 0.00 0.00 0.00 174.94 174.30 1k3i s VAL 240 N 2.23 2.69 -0.17 2.92 1.01 0.96 -1.92 120.40 128.12 1k3i s VAL 240 Ca 0.54 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 1k3i s VAL 240 Cb -0.23 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 1k3i s VAL 240 CO 0.21 0.33 -0.08 -0.69 0.00 0.00 0.00 175.10 174.87 1k3i s VAL 241 N 1.33 3.37 0.01 2.92 1.01 -0.17 -1.72 120.40 127.15 1k3i s VAL 241 Ca 0.02 -0.53 0.07 0.00 0.00 0.00 0.00 61.98 61.55 1k3i s VAL 241 Cb -0.15 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 1k3i s VAL 241 CO -0.07 0.48 -0.22 0.42 0.00 0.00 0.00 175.10 175.71 1k3i s THR 242 N 0.73 1.76 0.00 3.92 -4.23 -0.37 -1.06 115.64 116.39 1k3i s THR 242 Ca -0.04 -1.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.39 1k3i s THR 242 Cb -0.15 -1.49 0.00 0.00 1.34 0.00 0.00 72.50 72.20 1k3i s THR 242 CO 0.02 0.38 0.00 0.61 -0.54 0.00 0.00 174.62 175.09 1k3i n GLY 243 N 2.21 0.84 0.00 3.99 0.00 -0.13 -0.94 105.19 111.15 1k3i n GLY 243 Ca -0.16 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1k3i n GLY 243 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k3i n GLY 244 N 0.00 0.29 0.17 -0.02 0.00 -0.24 -4.51 105.19 100.89 1k3i n GLY 244 Ca 0.00 -1.82 -0.07 0.00 0.00 0.00 0.00 46.02 44.14 1k3i n GLY 244 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1k3i h ASN 245 N 0.00 0.31 -2.46 1.61 -0.73 -0.26 -2.64 115.58 111.41 1k3i h ASN 245 Ca 0.00 0.02 -0.75 0.00 1.87 0.00 0.00 56.30 57.43 1k3i h ASN 245 Cb 0.00 -0.05 -0.20 0.00 0.27 0.00 0.00 38.32 38.34 1k3i h ASN 245 CO 0.00 0.23 1.17 0.47 -0.37 0.00 0.00 177.43 178.93 1k3i n ASP 246 N -4.91 5.30 -0.25 1.15 8.00 -0.75 -4.90 116.55 120.19 1k3i n ASP 246 Ca 0.02 -3.00 0.32 0.00 0.71 0.00 0.00 54.79 52.83 1k3i n ASP 246 Cb 0.09 -1.52 0.59 0.00 -0.02 0.00 0.00 41.12 40.26 1k3i n ASP 246 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k3i h ALA 247 N 6.97 2.98 -0.01 2.24 0.00 -1.69 -2.36 119.26 127.38 1k3i h ALA 247 Ca 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1k3i h ALA 247 Cb 0.86 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1k3i h ALA 247 CO 1.21 -1.64 -0.05 1.63 0.00 0.00 0.00 179.25 180.40 1k3i n LYS 248 N -3.53 0.93 -2.51 0.00 5.02 -1.26 -0.65 118.16 116.16 1k3i n LYS 248 Ca 0.24 -1.06 -0.34 0.00 -2.02 0.00 0.00 58.31 55.14 1k3i n LYS 248 Cb 1.42 -1.19 -0.03 0.00 -0.02 0.00 0.00 35.03 35.20 1k3i n LYS 248 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1k3i s LYS 249 N -1.07 3.80 -0.04 1.97 -0.14 -0.89 -0.23 119.74 123.14 1k3i s LYS 249 Ca 0.12 1.29 0.02 0.00 -1.36 0.00 0.00 55.97 56.04 1k3i s LYS 249 Cb 0.09 -2.10 0.02 0.00 -1.68 0.00 0.00 37.83 34.16 1k3i s LYS 249 CO 0.17 -0.42 -0.07 0.99 -0.76 0.00 0.00 175.35 175.26 1k3i s THR 250 N -2.09 0.72 0.03 2.17 2.01 -1.26 -0.96 115.64 116.26 1k3i s THR 250 Ca 0.66 -0.25 0.08 0.00 0.31 0.00 0.00 61.69 62.48 1k3i s THR 250 Cb -0.15 -0.69 -0.02 0.00 0.01 0.00 0.00 72.50 71.65 1k3i s THR 250 CO 0.22 0.26 -0.22 -0.44 -0.69 0.00 0.00 174.62 173.74 1k3i s SER 251 N 0.69 2.64 0.01 3.53 0.01 -0.22 -0.58 113.70 119.77 1k3i s SER 251 Ca -0.11 -0.50 0.08 0.00 1.31 0.00 0.00 55.95 56.74 1k3i s SER 251 Cb -0.13 -0.24 -0.02 0.00 0.21 0.00 0.00 66.02 65.83 1k3i s SER 251 CO 0.01 0.21 -0.26 -0.76 0.41 0.00 0.00 173.24 172.86 1k3i s LEU 252 N -1.01 2.11 -0.32 2.44 1.43 0.03 -1.00 118.68 122.36 1k3i s LEU 252 Ca 0.09 -0.52 -0.16 0.00 -1.03 0.00 0.00 54.13 52.51 1k3i s LEU 252 Cb -0.09 -1.27 -0.02 0.00 0.03 0.00 0.00 46.19 44.84 1k3i s LEU 252 CO 0.01 0.28 0.39 -0.47 0.23 0.00 0.00 176.35 176.79 1k3i s TYR 253 N -0.71 3.21 -0.57 0.29 5.04 -0.81 -0.39 117.35 123.42 1k3i s TYR 253 Ca 0.11 0.15 -0.23 0.00 -2.44 0.00 0.00 57.07 54.66 1k3i s TYR 253 Cb -0.10 -2.69 0.05 0.00 0.35 0.00 0.00 41.96 39.57 1k3i s TYR 253 CO 0.01 -0.39 0.90 0.34 -1.34 0.00 0.00 175.55 175.07 1k3i s ASP 254 N 1.71 6.28 0.33 4.32 -1.08 0.79 -4.36 116.67 124.67 1k3i s ASP 254 Ca 0.14 -0.60 0.03 0.00 -0.52 0.00 0.00 52.55 51.60 1k3i s ASP 254 Cb -0.16 -2.41 0.57 0.00 -1.46 0.00 0.00 42.92 39.46 1k3i s ASP 254 CO 0.11 -1.23 1.90 0.77 0.52 0.00 0.00 175.17 177.24 1k3i h SER 255 N 9.33 0.61 0.09 -0.34 4.64 -1.95 -1.09 113.55 124.84 1k3i h SER 255 Ca -0.27 -0.09 -0.06 0.00 -0.47 0.00 0.00 61.79 60.91 1k3i h SER 255 Cb 1.08 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 1k3i h SER 255 CO 1.09 0.59 -0.19 0.77 -0.87 0.00 0.00 176.83 178.23 1k3i h SER 256 N 0.65 0.19 -0.31 4.97 4.64 -1.96 -3.05 113.55 118.68 1k3i h SER 256 Ca 0.15 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1k3i h SER 256 Cb 0.21 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1k3i h SER 256 CO -0.01 0.40 0.00 -1.54 -0.87 0.00 0.00 176.83 174.81 1k3i n SER 257 N -4.23 2.80 -3.89 4.97 3.41 -1.11 -5.01 113.62 110.56 1k3i n SER 257 Ca -0.01 -1.95 -0.30 0.00 -0.26 0.00 0.00 58.87 56.35 1k3i n SER 257 Cb 0.31 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1k3i n SER 257 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1k3i n ASP 258 N 0.48 -2.28 -3.70 4.04 8.00 -0.45 -4.97 116.55 117.67 1k3i n ASP 258 Ca 0.11 -1.06 -0.12 0.00 0.71 0.00 0.00 54.79 54.43 1k3i n ASP 258 Cb 0.41 -2.94 -0.07 0.00 -0.02 0.00 0.00 41.12 38.49 1k3i n ASP 258 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1k3i s SER 259 N -3.99 -0.22 -0.13 -2.24 1.04 -1.00 -5.00 113.70 102.16 1k3i s SER 259 Ca 0.21 -0.09 -0.23 0.00 0.48 0.00 0.00 55.95 56.32 1k3i s SER 259 Cb -0.08 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.41 1k3i s SER 259 CO 0.89 -0.65 0.70 0.26 0.98 0.00 0.00 173.24 175.43 1k3i s TRP 260 N -2.56 3.47 0.20 5.02 0.52 -1.26 -0.15 118.94 124.18 1k3i s TRP 260 Ca -0.05 1.14 0.11 0.00 0.02 0.00 0.00 56.10 57.32 1k3i s TRP 260 Cb -0.01 -2.85 -0.04 0.00 -1.15 0.00 0.00 33.47 29.42 1k3i s TRP 260 CO -0.03 -0.07 -0.24 0.96 0.02 0.00 0.00 176.95 177.59 1k3i s ILE 261 N 1.48 2.34 0.40 2.03 -4.36 0.48 -4.95 121.20 118.61 1k3i s ILE 261 Ca 0.35 -2.04 -0.25 0.00 -0.26 0.00 0.00 60.65 58.44 1k3i s ILE 261 Cb -0.17 -2.12 -0.09 0.00 1.25 0.00 0.00 42.46 41.33 1k3i s ILE 261 CO 0.14 -0.14 1.19 -2.16 0.24 0.00 0.00 174.94 174.21 1k3i s PRO 262 N -2.71 4.07 0.51 0.37 0.04 -1.26 -0.79 135.00 135.23 1k3i s PRO 262 Ca 0.21 1.88 0.03 0.00 0.04 0.00 0.00 61.00 63.16 1k3i s PRO 262 Cb -0.08 -2.71 -0.00 0.00 0.04 0.00 0.00 34.50 31.75 1k3i s PRO 262 CO 0.10 -0.32 0.13 0.20 0.04 0.00 0.00 177.00 177.15 1k3i s GLY 263 N -1.06 2.77 0.49 0.56 0.00 0.25 -4.73 107.32 105.59 1k3i s GLY 263 Ca 0.56 -0.85 -0.21 0.00 0.00 0.00 0.00 44.72 44.23 1k3i s GLY 263 CO 0.40 -2.10 1.10 2.56 0.00 0.00 0.00 173.10 175.06 1k3i s PRO 264 N -3.98 3.69 0.40 2.90 0.04 -1.26 -4.49 135.00 132.30 1k3i s PRO 264 Ca 0.18 1.56 -0.25 0.00 0.04 0.00 0.00 61.00 62.52 1k3i s PRO 264 Cb 0.01 -2.20 -0.08 0.00 0.04 0.00 0.00 34.50 32.27 1k3i s PRO 264 CO 0.10 -0.56 1.22 -0.51 0.04 0.00 0.00 177.00 177.30 1k3i s ASP 265 N -1.71 6.42 0.83 6.66 1.11 -1.26 -4.11 116.67 124.61 1k3i s ASP 265 Ca 0.67 2.47 -0.11 0.00 0.18 0.00 0.00 52.55 55.75 1k3i s ASP 265 Cb -0.22 -2.62 0.09 0.00 1.07 0.00 0.00 42.92 41.23 1k3i s ASP 265 CO 0.27 -0.76 1.09 -0.04 1.18 0.00 0.00 175.17 176.91 1k3i s MET 266 N -2.28 1.80 0.27 8.23 -1.94 0.68 -4.59 119.30 121.47 1k3i s MET 266 Ca 0.57 0.72 0.17 0.00 -1.71 0.00 0.00 55.69 55.44 1k3i s MET 266 Cb -0.34 -1.88 0.08 0.00 2.01 0.00 0.00 34.83 34.70 1k3i s MET 266 CO 0.43 -1.84 1.37 1.96 -0.01 0.00 0.00 175.02 176.93 1k3i h GLN 267 N -1.25 0.00 -5.56 2.03 1.08 -1.89 -3.46 115.11 106.06 1k3i h GLN 267 Ca -0.48 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.22 1k3i h GLN 267 Cb 1.27 0.00 -0.27 0.00 -0.05 0.00 0.00 27.48 28.43 1k3i h GLN 267 CO 0.57 0.38 -0.82 0.08 -0.95 0.00 0.00 178.83 178.10 1k3i s VAL 268 N -3.01 1.30 0.11 -0.54 1.01 -1.26 -5.09 120.40 112.91 1k3i s VAL 268 Ca 0.03 -0.91 -0.31 0.00 0.00 0.00 0.00 61.98 60.80 1k3i s VAL 268 Cb 0.07 -1.12 -0.07 0.00 0.00 0.00 0.00 36.38 35.26 1k3i s VAL 268 CO 0.74 0.20 1.28 0.00 0.00 0.00 0.00 175.10 177.32 1k3i s ALA 269 N -0.63 3.48 -0.01 5.51 0.00 -1.26 -4.66 121.76 124.19 1k3i s ALA 269 Ca 0.05 0.98 -0.05 0.00 0.00 0.00 0.00 51.96 52.94 1k3i s ALA 269 Cb -0.07 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1k3i s ALA 269 CO 0.01 -0.50 0.11 1.03 0.00 0.00 0.00 175.76 176.40 1k3i s ARG 270 N 0.84 0.35 -0.05 0.00 0.52 0.18 -4.81 118.95 115.98 1k3i s ARG 270 Ca 0.60 -0.24 -0.11 0.00 -0.52 0.00 0.00 55.73 55.46 1k3i s ARG 270 Cb -0.33 0.14 0.02 0.00 0.52 0.00 0.00 34.95 35.30 1k3i s ARG 270 CO 0.31 -0.07 0.26 0.20 0.02 0.00 0.00 175.30 176.02 1k3i s GLY 271 N -0.91 -0.14 -1.00 -3.53 0.00 -0.92 -1.08 107.32 99.74 1k3i s GLY 271 Ca -0.10 0.46 0.00 0.00 0.00 0.00 0.00 44.72 45.08 1k3i s GLY 271 CO 0.01 0.31 0.00 -1.72 0.00 0.00 0.00 173.10 171.70 1k3i n TYR 272 N 2.09 0.00 -3.00 1.90 4.02 -1.26 -2.88 117.16 118.04 1k3i n TYR 272 Ca -0.18 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.48 1k3i n TYR 272 Cb 0.57 -2.28 0.01 0.00 -0.02 0.00 0.00 39.34 37.62 1k3i n TYR 272 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 1k3i s GLN 273 N -2.61 3.19 0.11 -0.72 0.00 -1.26 -0.70 119.66 117.67 1k3i s GLN 273 Ca 0.00 -0.35 0.04 0.00 -0.00 0.00 0.00 55.36 55.04 1k3i s GLN 273 Cb 0.00 -2.54 -0.04 0.00 0.00 0.00 0.00 33.01 30.43 1k3i s GLN 273 CO 0.00 -0.20 0.11 -1.12 0.00 0.00 0.00 175.29 174.08 1k3i s SER 274 N -4.17 5.59 0.11 12.60 0.01 -1.26 -3.73 113.70 122.85 1k3i s SER 274 Ca 0.47 -0.03 0.06 0.00 1.31 0.00 0.00 55.95 57.76 1k3i s SER 274 Cb -0.10 -1.50 -0.03 0.00 0.21 0.00 0.00 66.02 64.59 1k3i s SER 274 CO 0.39 0.14 -0.15 -0.94 0.41 0.00 0.00 173.24 173.08 1k3i s SER 275 N -2.65 1.97 -0.06 2.44 1.04 -1.26 -3.37 113.70 111.81 1k3i s SER 275 Ca 0.30 -0.74 -0.03 0.00 0.48 0.00 0.00 55.95 55.96 1k3i s SER 275 Cb -0.11 -0.07 0.04 0.00 0.10 0.00 0.00 66.02 65.97 1k3i s SER 275 CO 0.23 -0.10 0.14 0.00 0.98 0.00 0.00 173.24 174.49 1k3i s ALA 276 N -1.77 -0.27 0.33 5.32 0.00 0.99 -4.70 121.76 121.65 1k3i s ALA 276 Ca 0.05 0.64 -0.28 0.00 0.00 0.00 0.00 51.96 52.38 1k3i s ALA 276 Cb -0.07 -0.43 -0.10 0.00 0.00 0.00 0.00 23.12 22.53 1k3i s ALA 276 CO 0.03 -0.15 1.19 0.99 0.00 0.00 0.00 175.76 177.82 1k3i s THR 277 N 1.05 3.13 0.45 0.00 2.01 -1.26 -0.95 115.64 120.07 1k3i s THR 277 Ca -0.08 1.09 0.08 0.00 0.31 0.00 0.00 61.69 63.09 1k3i s THR 277 Cb -0.10 -3.68 0.02 0.00 0.01 0.00 0.00 72.50 68.75 1k3i s THR 277 CO -0.05 0.22 0.56 -0.04 -0.69 0.00 0.00 174.62 174.62 1k3i s MET 278 N -1.78 2.63 0.62 4.92 -1.94 0.74 -3.85 119.30 120.64 1k3i s MET 278 Ca 0.49 -1.42 0.35 0.00 -1.71 0.00 0.00 55.69 53.39 1k3i s MET 278 Cb -0.34 -2.62 2.01 0.00 2.01 0.00 0.00 34.83 35.89 1k3i s MET 278 CO 0.45 -0.38 2.28 0.66 -0.01 0.00 0.00 175.02 178.02 1k3i h SER 279 N 0.65 0.00 -0.66 3.03 4.64 -1.76 -1.46 113.55 117.98 1k3i h SER 279 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1k3i h SER 279 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1k3i h SER 279 CO 0.48 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.54 1k3i n ASP 280 N -3.59 3.78 0.00 4.97 5.68 -1.26 -4.66 116.55 121.46 1k3i n ASP 280 Ca -0.03 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.26 1k3i n ASP 280 Cb 0.09 -0.44 0.00 0.00 -1.14 0.00 0.00 41.12 39.63 1k3i n ASP 280 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k3i n GLY 281 N 1.45 1.55 3.86 6.12 0.00 -0.55 -4.97 105.19 112.65 1k3i n GLY 281 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 1k3i n GLY 281 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k3i s ARG 282 N -0.50 1.26 -0.11 1.61 0.52 -1.26 -2.99 118.95 117.48 1k3i s ARG 282 Ca 0.00 0.03 0.03 0.00 -0.52 0.00 0.00 55.73 55.27 1k3i s ARG 282 Cb 0.00 -1.88 0.01 0.00 0.52 0.00 0.00 34.95 33.60 1k3i s ARG 282 CO 0.00 -2.07 -0.20 0.08 0.02 0.00 0.00 175.30 173.14 1k3i s VAL 283 N -3.53 1.79 -0.05 3.52 1.01 -0.68 -0.19 120.40 122.27 1k3i s VAL 283 Ca 0.66 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 1k3i s VAL 283 Cb -0.10 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1k3i s VAL 283 CO 0.51 0.50 0.06 0.12 0.00 0.00 0.00 175.10 176.29 1k3i s PHE 284 N 0.65 3.28 0.01 5.22 5.36 -0.13 -0.32 117.98 132.06 1k3i s PHE 284 Ca -0.13 0.24 -0.04 0.00 -0.96 0.00 0.00 56.93 56.05 1k3i s PHE 284 Cb -0.16 -1.78 -0.01 0.00 -0.34 0.00 0.00 43.02 40.73 1k3i s PHE 284 CO 0.03 0.55 0.06 -0.08 -1.46 0.00 0.00 175.22 174.32 1k3i s THR 285 N -1.07 0.10 -0.02 0.12 -1.32 -0.71 -0.01 115.64 112.73 1k3i s THR 285 Ca 0.18 -0.82 -0.20 0.00 -1.21 0.00 0.00 61.69 59.64 1k3i s THR 285 Cb -0.12 -0.39 0.04 0.00 -1.51 0.00 0.00 72.50 70.52 1k3i s THR 285 CO 0.09 -0.45 0.44 -0.51 -2.21 0.00 0.00 174.62 171.97 1k3i s ILE 286 N -1.50 0.04 0.00 5.08 2.07 -1.22 -1.61 121.20 124.06 1k3i s ILE 286 Ca -0.15 -0.33 0.00 0.00 -1.41 0.00 0.00 60.65 58.77 1k3i s ILE 286 Cb -0.08 -0.77 0.00 0.00 0.13 0.00 0.00 42.46 41.73 1k3i s ILE 286 CO 0.00 -0.18 0.00 0.61 -1.91 0.00 0.00 174.94 173.46 1k3i n GLY 287 N 1.07 -0.66 0.00 1.50 0.00 -0.41 -4.06 105.19 102.62 1k3i n GLY 287 Ca -0.20 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1k3i n GLY 287 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k3i n GLY 288 N -0.74 0.00 7.00 -0.02 0.00 -1.26 -4.75 105.19 105.42 1k3i n GLY 288 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1k3i n GLY 288 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1k3i n SER 289 N 0.00 -3.19 -4.72 1.61 2.88 -1.14 -2.17 113.62 106.89 1k3i n SER 289 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 1k3i n SER 289 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1k3i n SER 289 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 1k3i s TRP 290 N 0.00 3.02 0.03 0.66 -0.00 -1.23 -4.81 118.94 116.61 1k3i s TRP 290 Ca 0.00 -0.04 0.03 0.00 -0.00 0.00 0.00 56.10 56.09 1k3i s TRP 290 Cb 0.00 -1.50 -0.02 0.00 -0.00 0.00 0.00 33.47 31.95 1k3i s TRP 290 CO 0.00 0.50 -0.08 -1.12 -0.00 0.00 0.00 176.95 176.25 1k3i s SER 291 N -2.67 0.94 -0.57 5.86 0.01 -1.26 -4.99 113.70 111.01 1k3i s SER 291 Ca 0.28 -0.42 -0.26 0.00 1.31 0.00 0.00 55.95 56.86 1k3i s SER 291 Cb -0.11 -0.01 -0.09 0.00 0.21 0.00 0.00 66.02 66.02 1k3i s SER 291 CO 0.20 -0.10 2.42 0.61 0.41 0.00 0.00 173.24 176.79 1k3i n GLY 292 N 1.90 0.09 0.00 3.44 0.00 -1.26 -4.53 105.19 104.84 1k3i n GLY 292 Ca -0.19 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1k3i n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k3i n GLY 293 N 6.21 0.03 0.34 -0.02 0.00 -1.26 -4.95 105.19 105.54 1k3i n GLY 293 Ca 0.40 -1.14 0.04 0.00 0.00 0.00 0.00 46.02 45.31 1k3i n GLY 293 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1k3i n VAL 294 N 9.00 0.73 -2.32 1.61 0.24 -1.26 -5.06 118.33 121.26 1k3i n VAL 294 Ca 0.00 -0.88 -0.42 0.00 -2.04 0.00 0.00 64.34 61.00 1k3i n VAL 294 Cb 0.00 0.22 -0.03 0.00 -1.47 0.00 0.00 33.84 32.56 1k3i n VAL 294 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1k3i s PHE 295 N -1.11 2.89 0.57 6.34 2.99 -1.26 -5.01 117.98 123.40 1k3i s PHE 295 Ca 0.12 0.94 -0.15 0.00 0.00 0.00 0.00 56.93 57.84 1k3i s PHE 295 Cb 0.11 -3.57 -0.05 0.00 0.00 0.00 0.00 43.02 39.50 1k3i s PHE 295 CO 0.01 -2.04 1.02 -1.21 -0.00 0.00 0.00 175.22 173.00 1k3i s GLU 296 N 2.67 3.61 -0.74 0.44 2.02 -1.26 -4.85 118.70 120.60 1k3i s GLU 296 Ca 0.60 1.00 0.00 0.00 0.02 0.00 0.00 54.97 56.59 1k3i s GLU 296 Cb -0.27 -2.08 0.37 0.00 0.10 0.00 0.00 34.13 32.24 1k3i s GLU 296 CO 0.23 -0.56 1.76 1.63 0.02 0.00 0.00 175.26 178.34 1k3i n LYS 297 N -2.04 2.99 -1.18 1.61 4.76 -1.26 -4.98 118.16 118.06 1k3i n LYS 297 Ca 0.07 -3.83 -0.30 0.00 -2.87 0.00 0.00 58.31 51.38 1k3i n LYS 297 Cb 0.54 -2.27 0.24 0.00 -1.84 0.00 0.00 35.03 31.70 1k3i n LYS 297 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1k3i s ASN 298 N -1.79 0.94 0.82 4.39 0.02 -1.26 -1.29 114.94 116.77 1k3i s ASN 298 Ca 0.51 0.49 -0.11 0.00 -1.02 0.00 0.00 52.86 52.72 1k3i s ASN 298 Cb 0.42 -0.63 0.08 0.00 0.02 0.00 0.00 41.25 41.14 1k3i s ASN 298 CO -0.35 -4.09 1.10 -0.83 0.02 0.00 0.00 177.10 172.94 1k3i s GLY 299 N -4.10 1.62 0.12 0.66 0.00 -0.55 -4.42 107.32 100.64 1k3i s GLY 299 Ca 0.72 -0.18 -0.19 0.00 0.00 0.00 0.00 44.72 45.07 1k3i s GLY 299 CO 0.55 0.26 0.47 -1.83 0.00 0.00 0.00 173.10 172.55 1k3i s GLU 300 N -5.11 1.11 -0.01 2.90 -1.05 -0.63 -0.58 118.70 115.33 1k3i s GLU 300 Ca 0.61 -0.57 0.04 0.00 -0.15 0.00 0.00 54.97 54.90 1k3i s GLU 300 Cb -0.15 0.50 -0.01 0.00 -0.44 0.00 0.00 34.13 34.03 1k3i s GLU 300 CO 0.55 -0.45 -0.12 0.54 0.95 0.00 0.00 175.26 176.73 1k3i s VAL 301 N -3.56 0.98 -0.13 1.83 0.11 -0.16 -1.75 120.40 117.72 1k3i s VAL 301 Ca 0.01 -0.52 -0.04 0.00 -2.93 0.00 0.00 61.98 58.50 1k3i s VAL 301 Cb 0.01 -0.83 -0.04 0.00 -1.53 0.00 0.00 36.38 33.99 1k3i s VAL 301 CO -0.11 0.28 0.03 -0.47 -3.33 0.00 0.00 175.10 171.50 1k3i s TYR 302 N -0.20 3.21 -0.25 1.54 5.04 0.56 -0.91 117.35 126.35 1k3i s TYR 302 Ca 0.03 0.11 -0.04 0.00 -2.44 0.00 0.00 57.07 54.73 1k3i s TYR 302 Cb -0.06 -1.92 0.01 0.00 0.35 0.00 0.00 41.96 40.34 1k3i s TYR 302 CO -0.00 0.31 -0.01 0.45 -1.34 0.00 0.00 175.55 174.96 1k3i s SER 303 N -0.29 4.55 0.45 4.32 0.15 -0.43 -1.69 113.70 120.76 1k3i s SER 303 Ca 0.07 -0.69 0.19 0.00 0.70 0.00 0.00 55.95 56.22 1k3i s SER 303 Cb -0.12 -1.75 1.09 0.00 -1.71 0.00 0.00 66.02 63.53 1k3i s SER 303 CO 0.02 -0.12 1.97 -0.65 1.20 0.00 0.00 173.24 175.66 1k3i h PRO 304 N 8.10 0.00 -0.01 5.44 0.11 -1.88 0.20 132.00 143.96 1k3i h PRO 304 Ca -0.35 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.66 1k3i h PRO 304 Cb 1.13 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.24 1k3i h PRO 304 CO 0.59 0.21 -0.39 0.66 -0.21 0.00 0.00 178.00 178.86 1k3i h SER 305 N 0.00 0.37 0.29 -2.05 4.64 -1.96 -3.31 113.55 111.52 1k3i h SER 305 Ca -0.00 -0.74 0.00 0.00 -0.47 0.00 0.00 61.79 60.57 1k3i h SER 305 Cb 0.44 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1k3i h SER 305 CO 0.03 1.07 -0.55 -1.54 -0.87 0.00 0.00 176.83 174.97 1k3i n SER 306 N -4.38 0.87 -3.62 4.97 3.41 -1.20 -4.98 113.62 108.69 1k3i n SER 306 Ca -0.10 -0.68 -0.23 0.00 -0.26 0.00 0.00 58.87 57.60 1k3i n SER 306 Cb 0.57 0.40 0.04 0.00 -0.26 0.00 0.00 64.21 64.96 1k3i n SER 306 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1k3i n LYS 307 N -1.16 -3.27 -4.05 4.33 4.76 0.70 -5.00 118.16 114.46 1k3i n LYS 307 Ca 0.07 0.61 -0.08 0.00 -2.87 0.00 0.00 58.31 56.04 1k3i n LYS 307 Cb 0.35 -4.96 -0.10 0.00 -1.84 0.00 0.00 35.03 28.47 1k3i n LYS 307 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1k3i s THR 308 N -3.57 0.21 -0.08 -0.18 -4.23 -1.17 -4.65 115.64 101.98 1k3i s THR 308 Ca 0.23 -1.42 0.03 0.00 -1.18 0.00 0.00 61.69 59.34 1k3i s THR 308 Cb -0.06 -0.98 -0.02 0.00 1.34 0.00 0.00 72.50 72.77 1k3i s THR 308 CO 0.82 -0.77 -0.16 0.26 -0.54 0.00 0.00 174.62 174.23 1k3i s TRP 309 N -2.81 2.69 -0.07 3.99 0.52 -1.26 -1.32 118.94 120.68 1k3i s TRP 309 Ca -0.03 -0.45 0.02 0.00 0.02 0.00 0.00 56.10 55.66 1k3i s TRP 309 Cb -0.00 -1.70 0.02 0.00 -1.15 0.00 0.00 33.47 30.63 1k3i s TRP 309 CO -0.06 -0.04 -0.11 0.99 0.02 0.00 0.00 176.95 177.75 1k3i s THR 310 N -0.22 1.06 0.36 2.01 2.01 -0.09 -4.80 115.64 115.98 1k3i s THR 310 Ca 0.00 -0.41 -0.27 0.00 0.31 0.00 0.00 61.69 61.31 1k3i s THR 310 Cb -0.13 -0.99 -0.09 0.00 0.01 0.00 0.00 72.50 71.29 1k3i s THR 310 CO 0.03 0.34 1.25 -0.55 -0.69 0.00 0.00 174.62 175.00 1k3i s SER 311 N 0.84 6.65 -0.57 3.53 0.15 -1.26 -0.99 113.70 122.04 1k3i s SER 311 Ca -0.11 2.55 0.07 0.00 0.70 0.00 0.00 55.95 59.15 1k3i s SER 311 Cb -0.15 -2.64 0.26 0.00 -1.71 0.00 0.00 66.02 61.78 1k3i s SER 311 CO 0.02 -0.61 0.72 0.18 1.20 0.00 0.00 173.24 174.75 1k3i n LEU 312 N 0.49 2.96 0.18 3.45 4.77 0.26 -4.89 117.00 124.22 1k3i n LEU 312 Ca 0.02 -5.29 0.18 0.00 -0.03 0.00 0.00 56.01 50.89 1k3i n LEU 312 Cb 0.44 -0.33 0.81 0.00 -2.33 0.00 0.00 43.42 42.00 1k3i n LEU 312 CO 0.56 2.09 1.16 1.55 -1.33 0.00 0.00 177.39 181.42 1k3i h PRO 313 N 4.00 0.00 -0.01 3.23 0.13 -1.68 -1.14 132.00 136.53 1k3i h PRO 313 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1k3i h PRO 313 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1k3i h PRO 313 CO 0.75 0.00 -0.05 0.09 -0.23 0.00 0.00 178.00 178.55 1k3i n ASN 314 N -3.66 0.89 -4.45 1.44 3.02 -0.36 -4.18 115.26 107.96 1k3i n ASN 314 Ca 0.03 -1.12 -0.44 0.00 -0.03 0.00 0.00 54.58 53.02 1k3i n ASN 314 Cb 0.44 -0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.61 1k3i n ASN 314 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1k3i s ALA 315 N -2.16 4.08 0.20 5.41 0.00 -0.43 -3.36 121.76 125.50 1k3i s ALA 315 Ca 0.37 -3.41 -0.30 0.00 0.00 0.00 0.00 51.96 48.62 1k3i s ALA 315 Cb 0.21 -4.05 -0.09 0.00 0.00 0.00 0.00 23.12 19.19 1k3i s ALA 315 CO 0.39 -2.70 1.30 0.15 0.00 0.00 0.00 175.76 174.91 1k3i s LYS 316 N 1.23 4.39 0.30 0.00 -0.14 -1.26 -1.49 119.74 122.77 1k3i s LYS 316 Ca 0.41 2.04 0.17 0.00 -1.36 0.00 0.00 55.97 57.23 1k3i s LYS 316 Cb -0.04 -3.20 0.10 0.00 -1.68 0.00 0.00 37.83 33.02 1k3i s LYS 316 CO -0.01 -0.25 1.43 -0.24 -0.76 0.00 0.00 175.35 175.52 1k3i h VAL 317 N 3.76 0.66 -0.77 3.17 3.04 -1.91 -3.38 116.25 120.82 1k3i h VAL 317 Ca -0.45 -1.95 0.17 0.00 -1.01 0.00 0.00 66.70 63.46 1k3i h VAL 317 Cb 1.21 2.30 -0.11 0.00 -2.01 0.00 0.00 31.29 32.69 1k3i h VAL 317 CO 0.77 0.38 0.21 0.78 -1.01 0.00 0.00 177.57 178.70 1k3i h ASN 318 N 0.00 0.06 0.00 3.17 2.35 -1.94 -1.35 115.58 117.87 1k3i h ASN 318 Ca -0.01 0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1k3i h ASN 318 Cb 1.32 0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.88 1k3i h ASN 318 CO 0.05 -0.03 0.02 -0.65 -1.65 0.00 0.00 177.43 175.17 1k3i h PRO 319 N 0.29 0.00 -0.46 0.81 0.11 -2.01 -2.49 132.00 128.25 1k3i h PRO 319 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 1k3i h PRO 319 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1k3i h PRO 319 CO -0.52 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.27 1k3i n MET 320 N -2.87 2.50 -2.46 1.05 0.00 -0.51 -4.81 117.12 110.02 1k3i n MET 320 Ca -0.03 -2.26 -0.40 0.00 0.00 0.00 0.00 57.70 55.01 1k3i n MET 320 Cb 0.08 -1.45 -0.04 0.00 0.00 0.00 0.00 33.22 31.81 1k3i n MET 320 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1k3i s LEU 321 N -1.17 4.54 0.81 3.17 1.43 -0.94 -4.44 118.68 122.08 1k3i s LEU 321 Ca 0.36 2.27 -0.08 0.00 -1.03 0.00 0.00 54.13 55.65 1k3i s LEU 321 Cb 0.20 -3.63 0.14 0.00 0.03 0.00 0.00 46.19 42.93 1k3i s LEU 321 CO 0.27 -0.18 1.12 0.42 0.23 0.00 0.00 176.35 178.22 1k3i s THR 322 N -1.03 2.12 -0.40 5.49 -4.23 -0.62 -4.87 115.64 112.10 1k3i s THR 322 Ca 0.45 -0.29 0.03 0.00 -1.18 0.00 0.00 61.69 60.71 1k3i s THR 322 Cb -0.32 -2.84 0.55 0.00 1.34 0.00 0.00 72.50 71.23 1k3i s THR 322 CO 0.41 0.00 1.80 0.00 -0.54 0.00 0.00 174.62 176.29 1k3i n ALA 323 N -3.21 5.20 -1.56 3.99 0.00 -1.26 -4.77 120.51 118.91 1k3i n ALA 323 Ca 0.13 -2.49 -0.47 0.00 0.00 0.00 0.00 53.44 50.61 1k3i n ALA 323 Cb 0.60 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 1k3i n ALA 323 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1k3i n ASP 324 N -0.86 0.94 0.29 0.00 -0.08 -1.26 -4.84 116.55 110.73 1k3i n ASP 324 Ca 0.51 1.16 0.15 0.00 -1.51 0.00 0.00 54.79 55.10 1k3i n ASP 324 Cb 1.42 -1.20 0.90 0.00 2.34 0.00 0.00 41.12 44.58 1k3i n ASP 324 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1k3i h LYS 325 N 2.43 0.00 -0.17 -0.67 1.57 -1.95 -1.52 116.57 116.26 1k3i h LYS 325 Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1k3i h LYS 325 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.67 1k3i h LYS 325 CO 0.64 0.02 0.00 1.04 -0.57 0.00 0.00 179.45 180.58 1k3i n GLN 326 N -3.79 1.58 0.00 3.15 6.02 -1.26 -5.03 117.38 118.05 1k3i n GLN 326 Ca -0.03 -0.88 0.00 0.00 -0.01 0.00 0.00 57.00 56.08 1k3i n GLN 326 Cb 0.10 -1.32 0.00 0.00 1.02 0.00 0.00 30.24 30.04 1k3i n GLN 326 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1k3i n GLY 327 N 1.01 1.49 0.36 1.08 0.00 -0.57 -3.33 105.19 105.23 1k3i n GLY 327 Ca 0.14 -0.61 0.19 0.00 0.00 0.00 0.00 46.02 45.73 1k3i n GLY 327 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1k3i h LEU 328 N 0.00 0.00 -1.58 0.99 3.38 -1.96 -0.26 115.31 115.89 1k3i h LEU 328 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1k3i h LEU 328 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1k3i h LEU 328 CO 0.00 0.00 0.22 0.22 0.09 0.00 0.00 178.44 178.97 1k3i h TYR 329 N 0.00 0.48 0.00 1.13 3.20 -1.86 -3.27 116.97 116.64 1k3i h TYR 329 Ca 0.12 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1k3i h TYR 329 Cb 0.78 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.89 1k3i h TYR 329 CO 0.00 0.33 -0.97 0.54 -1.64 0.00 0.00 178.16 176.42 1k3i n ARG 330 N -4.45 2.02 0.24 1.82 5.12 -0.67 -4.31 116.66 116.42 1k3i n ARG 330 Ca 0.02 0.00 0.18 0.00 -1.93 0.00 0.00 57.85 56.12 1k3i n ARG 330 Cb 0.08 -0.99 0.87 0.00 -1.16 0.00 0.00 32.46 31.27 1k3i n ARG 330 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1k3i h SER 331 N 0.00 0.00 -0.40 0.55 4.64 -1.22 -2.01 113.55 115.11 1k3i h SER 331 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1k3i h SER 331 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1k3i h SER 331 CO 0.00 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.06 1k3i n ASP 332 N -3.52 3.63 -4.79 4.97 5.68 -1.26 -1.59 116.55 119.66 1k3i n ASP 332 Ca 0.01 -2.38 -0.34 0.00 -0.50 0.00 0.00 54.79 51.58 1k3i n ASP 332 Cb 0.34 -0.40 -0.03 0.00 -1.14 0.00 0.00 41.12 39.89 1k3i n ASP 332 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 1k3i s ASN 333 N -1.25 6.22 -1.24 -1.12 -0.87 -0.76 -4.40 114.94 111.52 1k3i s ASN 333 Ca 0.35 1.96 -0.25 0.00 -1.57 0.00 0.00 52.86 53.35 1k3i s ASN 333 Cb 0.23 -2.56 0.04 0.00 -0.02 0.00 0.00 41.25 38.94 1k3i s ASN 333 CO 0.16 -0.87 0.48 1.41 -2.57 0.00 0.00 177.10 175.72 1k3i n HIS 334 N -1.08 -1.27 -1.83 2.20 8.25 0.12 -4.79 115.22 116.82 1k3i n HIS 334 Ca 0.10 0.18 -0.38 0.00 -0.26 0.00 0.00 57.72 57.35 1k3i n HIS 334 Cb 0.52 -2.62 0.04 0.00 1.12 0.00 0.00 29.99 29.05 1k3i n HIS 334 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1k3i s ALA 335 N -3.79 2.83 -1.24 -1.41 0.00 -1.26 -4.47 121.76 112.42 1k3i s ALA 335 Ca 0.35 1.29 -0.14 0.00 0.00 0.00 0.00 51.96 53.46 1k3i s ALA 335 Cb -0.20 -3.55 0.15 0.00 0.00 0.00 0.00 23.12 19.52 1k3i s ALA 335 CO 0.93 -1.30 1.54 0.91 0.00 0.00 0.00 175.76 177.84 1k3i n TRP 336 N -0.99 4.76 -3.46 0.00 8.01 0.15 -4.77 117.44 121.15 1k3i n TRP 336 Ca 0.10 -3.21 -0.37 0.00 -1.31 0.00 0.00 57.50 52.71 1k3i n TRP 336 Cb 0.45 -2.27 -0.06 0.00 -2.01 0.00 0.00 31.31 27.42 1k3i n TRP 336 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1k3i s LEU 337 N 2.01 4.44 -0.04 -0.99 1.43 -1.26 -1.34 118.68 122.93 1k3i s LEU 337 Ca 0.45 1.00 -0.02 0.00 -1.03 0.00 0.00 54.13 54.53 1k3i s LEU 337 Cb -0.00 -2.81 0.03 0.00 0.03 0.00 0.00 46.19 43.44 1k3i s LEU 337 CO 0.02 0.26 0.06 -0.36 0.23 0.00 0.00 176.35 176.56 1k3i s PHE 338 N -1.20 0.05 0.38 0.29 0.40 -0.19 -4.71 117.98 113.00 1k3i s PHE 338 Ca 0.28 0.27 -0.28 0.00 -0.60 0.00 0.00 56.93 56.60 1k3i s PHE 338 Cb -0.16 -0.47 -0.10 0.00 0.51 0.00 0.00 43.02 42.79 1k3i s PHE 338 CO 0.16 -0.20 1.39 0.20 0.70 0.00 0.00 175.22 177.48 1k3i s GLY 339 N 2.17 2.96 0.00 4.36 0.00 -1.25 -0.61 107.32 114.95 1k3i s GLY 339 Ca 0.05 1.41 0.00 0.00 0.00 0.00 0.00 44.72 46.18 1k3i s GLY 339 CO -0.03 2.06 0.00 1.87 0.00 0.00 0.00 173.10 177.00 1k3i n TRP 340 N 0.42 0.00 -1.76 1.90 -0.00 0.04 -4.82 117.44 113.22 1k3i n TRP 340 Ca 0.02 0.00 -0.40 0.00 -0.00 0.00 0.00 57.50 57.12 1k3i n TRP 340 Cb 0.41 0.00 0.02 0.00 -0.00 0.00 0.00 31.31 31.74 1k3i n TRP 340 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1k3i n LYS 341 N 0.00 2.14 -3.95 5.87 5.02 -1.26 -3.78 118.16 122.20 1k3i n LYS 341 Ca 0.00 0.77 -0.26 0.00 -2.02 0.00 0.00 58.31 56.80 1k3i n LYS 341 Cb 0.00 -2.61 -0.02 0.00 -0.02 0.00 0.00 35.03 32.38 1k3i n LYS 341 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1k3i n LYS 342 N -0.31 -3.36 -0.90 1.97 5.02 -1.26 -1.80 118.16 117.52 1k3i n LYS 342 Ca 0.06 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 1k3i n LYS 342 Cb 0.42 -4.58 0.00 0.00 -0.02 0.00 0.00 35.03 30.85 1k3i n LYS 342 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k3i n GLY 343 N -1.95 0.54 3.89 0.72 0.00 -1.25 -4.86 105.19 102.29 1k3i n GLY 343 Ca -0.29 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 1k3i n GLY 343 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k3i s SER 344 N -2.41 5.52 -0.04 1.61 1.04 -0.74 -3.76 113.70 114.92 1k3i s SER 344 Ca 0.00 1.10 -0.01 0.00 0.48 0.00 0.00 55.95 57.52 1k3i s SER 344 Cb 0.00 -1.94 0.03 0.00 0.10 0.00 0.00 66.02 64.21 1k3i s SER 344 CO 0.00 -1.27 0.02 -0.69 0.98 0.00 0.00 173.24 172.28 1k3i s VAL 345 N -3.30 0.12 -0.05 5.02 1.01 -0.13 -0.78 120.40 122.30 1k3i s VAL 345 Ca 0.57 0.20 -0.18 0.00 0.00 0.00 0.00 61.98 62.57 1k3i s VAL 345 Cb -0.11 -0.28 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 1k3i s VAL 345 CO 0.51 0.18 0.49 0.12 0.00 0.00 0.00 175.10 176.39 1k3i s PHE 346 N 1.54 3.63 -0.35 5.22 5.36 0.22 -0.60 117.98 133.00 1k3i s PHE 346 Ca -0.03 1.00 -0.03 0.00 -0.96 0.00 0.00 56.93 56.92 1k3i s PHE 346 Cb -0.13 -2.49 0.08 0.00 -0.34 0.00 0.00 43.02 40.14 1k3i s PHE 346 CO -0.03 0.36 0.10 -1.14 -1.46 0.00 0.00 175.22 173.06 1k3i s GLN 347 N -0.12 2.24 0.00 10.12 -0.44 0.02 -1.03 119.66 130.45 1k3i s GLN 347 Ca 0.26 -1.51 0.27 0.00 -2.50 0.00 0.00 55.36 51.88 1k3i s GLN 347 Cb -0.16 -3.39 0.80 0.00 -1.64 0.00 0.00 33.01 28.62 1k3i s GLN 347 CO 0.13 -0.83 1.62 0.00 0.50 0.00 0.00 175.29 176.71 1k3i n ALA 348 N 4.62 3.09 0.00 1.58 0.00 -0.45 -1.66 120.51 127.70 1k3i n ALA 348 Ca -0.08 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1k3i n ALA 348 Cb 0.43 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1k3i n ALA 348 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k3i n GLY 349 N 1.47 -0.72 0.26 0.00 0.00 -1.26 -4.80 105.19 100.13 1k3i n GLY 349 Ca 0.07 -1.08 0.17 0.00 0.00 0.00 0.00 46.02 45.19 1k3i n GLY 349 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1k3i h PRO 350 N 0.00 0.00 -7.13 1.61 0.13 -1.83 0.45 132.00 125.23 1k3i h PRO 350 Ca 0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.58 1k3i h PRO 350 Cb 0.00 0.00 0.17 0.00 0.13 0.00 0.00 31.00 31.30 1k3i h PRO 350 CO 0.00 0.00 0.48 -1.13 -0.23 0.00 0.00 178.00 177.12 1k3i n SER 351 N -2.86 1.85 -0.28 1.44 3.41 -1.26 -1.30 113.62 114.63 1k3i n SER 351 Ca -0.00 0.77 0.01 0.00 -0.26 0.00 0.00 58.87 59.39 1k3i n SER 351 Cb 0.21 -1.55 0.14 0.00 -0.26 0.00 0.00 64.21 62.75 1k3i n SER 351 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1k3i h THR 352 N 0.20 0.98 -3.25 6.66 2.02 -1.83 -3.41 112.91 114.28 1k3i h THR 352 Ca -0.50 -0.29 -0.53 0.00 0.77 0.00 0.00 66.41 65.86 1k3i h THR 352 Cb 1.33 0.07 0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1k3i h THR 352 CO 0.51 0.15 0.56 0.00 0.37 0.00 0.00 175.52 177.12 1k3i s ALA 353 N -6.06 3.40 0.06 6.16 0.00 -1.26 -1.08 121.76 122.98 1k3i s ALA 353 Ca -0.13 0.87 0.02 0.00 0.00 0.00 0.00 51.96 52.72 1k3i s ALA 353 Cb 0.18 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 1k3i s ALA 353 CO 0.78 -0.42 0.11 -1.64 0.00 0.00 0.00 175.76 174.60 1k3i s MET 354 N 0.79 3.05 0.05 0.00 1.00 -0.11 -4.63 119.30 119.45 1k3i s MET 354 Ca 0.57 -0.60 -0.05 0.00 0.00 0.00 0.00 55.69 55.61 1k3i s MET 354 Cb -0.30 -2.83 -0.01 0.00 0.00 0.00 0.00 34.83 31.69 1k3i s MET 354 CO 0.31 0.59 0.10 -0.80 0.00 0.00 0.00 175.02 175.21 1k3i s ASN 355 N -2.33 0.21 -0.16 3.03 0.01 -0.66 -1.01 114.94 114.02 1k3i s ASN 355 Ca 0.30 -0.63 -0.06 0.00 -0.71 0.00 0.00 52.86 51.76 1k3i s ASN 355 Cb -0.12 0.25 -0.04 0.00 0.41 0.00 0.00 41.25 41.74 1k3i s ASN 355 CO 0.22 -0.57 0.05 0.26 -1.51 0.00 0.00 177.10 175.56 1k3i s TRP 356 N -3.05 3.24 -0.03 2.20 0.52 0.40 -0.80 118.94 121.41 1k3i s TRP 356 Ca -0.01 0.08 0.03 0.00 0.02 0.00 0.00 56.10 56.23 1k3i s TRP 356 Cb 0.01 -2.02 -0.03 0.00 -1.15 0.00 0.00 33.47 30.29 1k3i s TRP 356 CO -0.07 0.22 -0.12 0.71 0.02 0.00 0.00 176.95 177.71 1k3i s TYR 357 N 0.10 2.75 0.08 -1.98 2.02 0.23 -1.26 117.35 119.29 1k3i s TYR 357 Ca 0.04 -0.12 0.10 0.00 -0.37 0.00 0.00 57.07 56.72 1k3i s TYR 357 Cb -0.12 -1.62 -0.03 0.00 -0.40 0.00 0.00 41.96 39.78 1k3i s TYR 357 CO 0.01 0.25 -0.25 0.71 -1.57 0.00 0.00 175.55 174.70 1k3i s TYR 358 N -0.81 2.20 -0.31 2.71 2.02 -0.46 -0.95 117.35 121.75 1k3i s TYR 358 Ca 0.13 -0.40 0.09 0.00 -0.37 0.00 0.00 57.07 56.52 1k3i s TYR 358 Cb -0.11 -1.25 0.21 0.00 -0.40 0.00 0.00 41.96 40.41 1k3i s TYR 358 CO 0.02 0.21 1.16 0.25 -1.57 0.00 0.00 175.55 175.62 1k3i n THR 359 N 1.37 1.35 -3.24 -0.71 -2.24 -1.25 -2.67 114.28 106.90 1k3i n THR 359 Ca -0.18 -1.36 -0.30 0.00 -2.27 0.00 0.00 64.05 59.94 1k3i n THR 359 Cb 0.53 0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.97 1k3i n THR 359 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1k3i s SER 360 N -1.48 6.55 0.86 3.42 1.04 -1.26 -4.74 113.70 118.09 1k3i s SER 360 Ca 0.18 0.92 0.00 0.00 0.48 0.00 0.00 55.95 57.53 1k3i s SER 360 Cb 0.13 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 64.03 1k3i s SER 360 CO 0.06 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.69 1k3i n GLY 361 N -0.71 1.94 0.92 7.32 0.00 -1.26 -1.72 105.19 111.67 1k3i n GLY 361 Ca 0.00 -0.47 0.03 0.00 0.00 0.00 0.00 46.02 45.59 1k3i n GLY 361 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1k3i n SER 362 N -1.17 2.51 0.00 1.61 7.64 -1.26 -4.97 113.62 117.98 1k3i n SER 362 Ca 0.00 -2.27 0.00 0.00 1.01 0.00 0.00 58.87 57.61 1k3i n SER 362 Cb 0.00 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 1k3i n SER 362 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k3i n GLY 363 N 0.41 0.51 3.66 0.23 0.00 -0.70 -1.22 105.19 108.08 1k3i n GLY 363 Ca 0.10 -1.81 -0.08 0.00 0.00 0.00 0.00 46.02 44.23 1k3i n GLY 363 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k3i s ASP 364 N -1.40 -0.35 -0.10 1.61 2.15 -1.09 -4.18 116.67 113.30 1k3i s ASP 364 Ca 0.00 -0.31 -0.09 0.00 0.43 0.00 0.00 52.55 52.59 1k3i s ASP 364 Cb 0.00 0.60 0.03 0.00 -0.30 0.00 0.00 42.92 43.25 1k3i s ASP 364 CO 0.00 -1.06 0.27 0.54 -0.17 0.00 0.00 175.17 174.75 1k3i s VAL 365 N -3.65 -0.00 -0.00 1.11 0.11 -1.25 -1.35 120.40 115.36 1k3i s VAL 365 Ca 0.07 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 1k3i s VAL 365 Cb -0.03 -0.38 0.00 0.00 -1.53 0.00 0.00 36.38 34.44 1k3i s VAL 365 CO -0.02 0.01 -0.01 -0.54 -3.33 0.00 0.00 175.10 171.20 1k3i s LYS 366 N 0.29 0.14 0.39 1.54 1.02 -0.39 -4.98 119.74 117.74 1k3i s LYS 366 Ca -0.01 -0.04 -0.27 0.00 0.02 0.00 0.00 55.97 55.67 1k3i s LYS 366 Cb -0.03 -0.16 -0.10 0.00 -0.52 0.00 0.00 37.83 37.02 1k3i s LYS 366 CO -0.01 0.01 1.38 0.45 -0.92 0.00 0.00 175.35 176.26 1k3i s SER 367 N 0.10 6.36 -0.10 2.83 0.15 -1.26 -0.46 113.70 121.32 1k3i s SER 367 Ca -0.01 2.82 0.14 0.00 0.70 0.00 0.00 55.95 59.60 1k3i s SER 367 Cb -0.02 -2.65 0.24 0.00 -1.71 0.00 0.00 66.02 61.87 1k3i s SER 367 CO -0.00 -0.83 1.14 0.00 1.20 0.00 0.00 173.24 174.74 1k3i n ALA 368 N 0.33 2.25 0.00 5.45 0.00 -0.18 -4.78 120.51 123.58 1k3i n ALA 368 Ca 0.02 -2.14 0.00 0.00 0.00 0.00 0.00 53.44 51.33 1k3i n ALA 368 Cb 0.42 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.56 1k3i n ALA 368 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k3i n GLY 369 N -1.06 -2.49 3.78 0.00 0.00 -1.24 -4.04 105.19 100.13 1k3i n GLY 369 Ca 0.12 -1.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.13 1k3i n GLY 369 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k3i s LYS 370 N -0.54 3.10 -0.04 1.61 1.02 -1.26 -0.93 119.74 122.70 1k3i s LYS 370 Ca 0.00 -0.45 -0.30 0.00 0.02 0.00 0.00 55.97 55.24 1k3i s LYS 370 Cb 0.00 -2.88 -0.05 0.00 -0.52 0.00 0.00 37.83 34.38 1k3i s LYS 370 CO 0.00 0.66 1.43 0.50 -0.92 0.00 0.00 175.35 177.02 1k3i s ARG 371 N -1.61 4.25 0.20 1.68 3.52 -0.24 -4.93 118.95 121.82 1k3i s ARG 371 Ca 0.21 1.96 -0.11 0.00 -0.13 0.00 0.00 55.73 57.67 1k3i s ARG 371 Cb -0.12 -3.69 0.04 0.00 -1.56 0.00 0.00 34.95 29.62 1k3i s ARG 371 CO 0.12 -0.66 0.54 0.00 -0.81 0.00 0.00 175.30 174.49 1k3i n GLN 372 N 5.95 0.59 -3.00 5.12 10.64 -1.26 -1.24 117.38 134.18 1k3i n GLN 372 Ca 0.14 -1.20 -0.04 0.00 -1.83 0.00 0.00 57.00 54.07 1k3i n GLN 372 Cb 0.44 1.53 0.02 0.00 -0.86 0.00 0.00 30.24 31.36 1k3i n GLN 372 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1k3i n SER 373 N -1.22 -1.37 0.00 2.61 3.41 -0.64 -3.80 113.62 112.62 1k3i n SER 373 Ca -0.04 -1.84 0.04 0.00 -0.26 0.00 0.00 58.87 56.77 1k3i n SER 373 Cb 0.36 2.26 0.18 0.00 -0.26 0.00 0.00 64.21 66.74 1k3i n SER 373 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1k3i n ASN 374 N -1.21 0.00 -0.07 4.04 0.23 -1.26 -1.06 115.26 115.93 1k3i n ASN 374 Ca -0.04 0.50 0.13 0.00 -0.53 0.00 0.00 54.58 54.64 1k3i n ASN 374 Cb 0.40 -0.50 0.37 0.00 -2.08 0.00 0.00 39.78 37.98 1k3i n ASN 374 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1k3i n ARG 375 N -1.50 0.28 0.00 -3.83 1.74 -1.26 -5.05 116.66 107.05 1k3i n ARG 375 Ca 0.02 -0.14 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 1k3i n ARG 375 Cb 0.10 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 1k3i n ARG 375 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k3i n GLY 376 N 1.43 0.62 3.73 -0.13 0.00 -0.22 -5.05 105.19 105.58 1k3i n GLY 376 Ca 0.08 -2.23 -0.41 0.00 0.00 0.00 0.00 46.02 43.47 1k3i n GLY 376 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k3i s VAL 377 N -0.70 4.51 0.07 1.61 1.01 -1.26 -1.62 120.40 124.02 1k3i s VAL 377 Ca 0.00 2.07 -0.31 0.00 0.00 0.00 0.00 61.98 63.75 1k3i s VAL 377 Cb 0.00 -4.32 -0.06 0.00 0.00 0.00 0.00 36.38 32.00 1k3i s VAL 377 CO 0.00 0.31 1.20 0.00 0.00 0.00 0.00 175.10 176.61 1k3i s ALA 378 N 0.04 3.40 0.78 5.51 0.00 -0.37 -4.98 121.76 126.14 1k3i s ALA 378 Ca 0.47 0.86 -0.11 0.00 0.00 0.00 0.00 51.96 53.18 1k3i s ALA 378 Cb -0.23 -3.45 0.06 0.00 0.00 0.00 0.00 23.12 19.50 1k3i s ALA 378 CO 0.30 -0.44 1.09 -1.25 0.00 0.00 0.00 175.76 175.46 1k3i s PRO 379 N 1.01 2.22 0.25 0.00 0.04 -1.26 -4.51 135.00 132.76 1k3i s PRO 379 Ca 0.59 0.77 -0.30 0.00 0.04 0.00 0.00 61.00 62.09 1k3i s PRO 379 Cb -0.30 -1.92 -0.14 0.00 0.04 0.00 0.00 34.50 32.18 1k3i s PRO 379 CO 0.29 -1.55 1.26 -0.25 0.04 0.00 0.00 177.00 176.79 1k3i n ASP 380 N -3.41 2.16 -3.15 6.66 8.00 -1.26 -4.65 116.55 120.90 1k3i n ASP 380 Ca 0.07 1.16 -0.24 0.00 0.71 0.00 0.00 54.79 56.49 1k3i n ASP 380 Cb 0.55 -1.36 -0.05 0.00 -0.02 0.00 0.00 41.12 40.24 1k3i n ASP 380 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k3i n ALA 381 N 1.21 3.47 -1.70 2.24 0.00 -0.42 -3.25 120.51 122.06 1k3i n ALA 381 Ca 0.11 -4.16 -0.44 0.00 0.00 0.00 0.00 53.44 48.95 1k3i n ALA 381 Cb 0.31 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 1k3i n ALA 381 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1k3i n MET 382 N 0.38 2.42 -1.56 0.00 1.56 0.48 -1.33 117.12 119.08 1k3i n MET 382 Ca 0.28 0.87 -0.13 0.00 -0.27 0.00 0.00 57.70 58.44 1k3i n MET 382 Cb 0.49 -2.65 -0.05 0.00 2.15 0.00 0.00 33.22 33.16 1k3i n MET 382 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1k3i s GLY 384 N -2.77 1.67 0.22 0.00 0.00 -0.44 -3.45 107.32 102.54 1k3i s GLY 384 Ca 0.00 -0.89 0.08 0.00 0.00 0.00 0.00 44.72 43.91 1k3i s GLY 384 CO 0.00 -0.37 0.05 -1.31 0.00 0.00 0.00 173.10 171.47 1k3i s ASN 385 N -4.63 4.88 -0.04 1.64 -0.87 -0.34 -4.88 114.94 110.70 1k3i s ASN 385 Ca 0.64 -0.45 -0.01 0.00 -1.57 0.00 0.00 52.86 51.47 1k3i s ASN 385 Cb -0.09 -1.05 0.03 0.00 -0.02 0.00 0.00 41.25 40.12 1k3i s ASN 385 CO 0.48 0.03 0.08 0.00 -2.57 0.00 0.00 177.10 175.12 1k3i s ALA 386 N -2.04 -0.01 -0.06 0.60 0.00 -1.26 -1.53 121.76 117.46 1k3i s ALA 386 Ca 0.30 0.41 0.01 0.00 0.00 0.00 0.00 51.96 52.68 1k3i s ALA 386 Cb -0.08 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.64 1k3i s ALA 386 CO 0.21 -0.23 -0.05 0.08 0.00 0.00 0.00 175.76 175.76 1k3i s VAL 387 N 1.42 0.69 -0.86 0.00 1.01 0.13 -4.88 120.40 117.90 1k3i s VAL 387 Ca -0.05 -0.17 -0.19 0.00 0.00 0.00 0.00 61.98 61.57 1k3i s VAL 387 Cb -0.12 -0.72 0.12 0.00 0.00 0.00 0.00 36.38 35.67 1k3i s VAL 387 CO -0.04 0.28 1.06 -0.32 0.00 0.00 0.00 175.10 176.07 1k3i s MET 388 N 1.18 3.49 0.07 2.72 1.75 -1.26 -0.66 119.30 126.59 1k3i s MET 388 Ca -0.06 -1.63 0.26 0.00 -1.25 0.00 0.00 55.69 53.01 1k3i s MET 388 Cb -0.14 -4.75 0.79 0.00 2.84 0.00 0.00 34.83 33.57 1k3i s MET 388 CO -0.01 -1.74 1.65 2.48 -0.65 0.00 0.00 175.02 176.75 1k3i n TYR 389 N 6.58 0.33 -3.32 4.11 0.18 -0.97 -2.07 117.16 122.00 1k3i n TYR 389 Ca 0.17 0.09 -0.15 0.00 1.88 0.00 0.00 57.90 59.90 1k3i n TYR 389 Cb 0.48 -0.58 -0.07 0.00 -0.38 0.00 0.00 39.34 38.80 1k3i n TYR 389 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 1k3i s ASP 390 N -3.60 0.73 0.37 9.48 -1.08 -1.21 -4.44 116.67 116.92 1k3i s ASP 390 Ca 0.11 -1.58 0.11 0.00 -0.52 0.00 0.00 52.55 50.66 1k3i s ASP 390 Cb 0.16 0.74 0.73 0.00 -1.46 0.00 0.00 42.92 43.09 1k3i s ASP 390 CO 0.62 -0.23 1.86 0.00 0.52 0.00 0.00 175.17 177.94 1k3i h ALA 391 N 6.87 1.42 -0.81 3.66 0.00 -1.08 0.52 119.26 129.85 1k3i h ALA 391 Ca 0.06 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1k3i h ALA 391 Cb 1.07 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1k3i h ALA 391 CO 0.18 0.41 0.35 0.28 0.00 0.00 0.00 179.25 180.48 1k3i h VAL 392 N 0.12 1.26 -0.21 0.00 2.07 -1.94 -2.29 116.25 115.27 1k3i h VAL 392 Ca 0.02 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1k3i h VAL 392 Cb 0.53 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1k3i h VAL 392 CO 0.04 0.32 0.00 0.29 0.02 0.00 0.00 177.57 178.24 1k3i n LYS 393 N -4.31 2.12 -2.24 1.57 5.02 -1.12 -4.96 118.16 114.24 1k3i n LYS 393 Ca 0.07 -1.67 -0.14 0.00 -2.02 0.00 0.00 58.31 54.55 1k3i n LYS 393 Cb 0.17 -1.46 -0.01 0.00 -0.02 0.00 0.00 35.03 33.71 1k3i n LYS 393 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k3i n GLY 394 N 1.32 -0.16 3.67 0.72 0.00 -0.53 -4.37 105.19 105.85 1k3i n GLY 394 Ca 0.17 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1k3i n GLY 394 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k3i s LYS 395 N -4.66 4.32 -0.09 1.61 -0.14 0.06 -0.23 119.74 120.61 1k3i s LYS 395 Ca 0.00 1.08 0.02 0.00 -1.36 0.00 0.00 55.97 55.71 1k3i s LYS 395 Cb 0.00 -3.57 0.01 0.00 -1.68 0.00 0.00 37.83 32.59 1k3i s LYS 395 CO 0.00 -0.32 -0.16 0.42 -0.76 0.00 0.00 175.35 174.53 1k3i s ILE 396 N 2.11 1.47 -0.20 2.17 1.01 -0.23 -2.29 121.20 125.23 1k3i s ILE 396 Ca 0.40 -0.65 -0.07 0.00 0.00 0.00 0.00 60.65 60.32 1k3i s ILE 396 Cb -0.17 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 1k3i s ILE 396 CO 0.13 0.43 0.07 -0.22 0.00 0.00 0.00 174.94 175.35 1k3i s LEU 397 N 0.75 3.71 0.12 2.97 2.96 0.17 -0.54 118.68 128.81 1k3i s LEU 397 Ca -0.12 -0.00 0.11 0.00 -0.22 0.00 0.00 54.13 53.89 1k3i s LEU 397 Cb -0.16 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 1k3i s LEU 397 CO 0.02 0.11 -0.27 0.42 -1.32 0.00 0.00 176.35 175.31 1k3i s THR 398 N 0.77 2.24 -0.18 3.68 -4.23 -0.40 -0.69 115.64 116.83 1k3i s THR 398 Ca 0.04 -1.71 -0.29 0.00 -1.18 0.00 0.00 61.69 58.55 1k3i s THR 398 Cb -0.13 -1.98 0.12 0.00 1.34 0.00 0.00 72.50 71.85 1k3i s THR 398 CO 0.02 0.13 0.97 0.72 -0.54 0.00 0.00 174.62 175.92 1k3i s PHE 399 N -1.02 -0.42 0.00 3.99 -0.71 -0.58 -1.17 117.98 118.06 1k3i s PHE 399 Ca 0.14 0.80 0.00 0.00 -1.04 0.00 0.00 56.93 56.83 1k3i s PHE 399 Cb -0.10 0.43 0.00 0.00 -1.21 0.00 0.00 43.02 42.14 1k3i s PHE 399 CO 0.05 -0.34 0.00 0.41 -1.34 0.00 0.00 175.22 174.00 1k3i n GLY 400 N 1.08 -0.73 0.00 1.99 0.00 -0.50 -1.20 105.19 105.84 1k3i n GLY 400 Ca -0.12 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1k3i n GLY 400 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k3i n GLY 401 N 0.00 -0.57 3.17 -0.02 0.00 -0.21 -4.42 105.19 103.15 1k3i n GLY 401 Ca 0.00 -1.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.19 1k3i n GLY 401 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k3i s SER 402 N -2.45 1.11 0.37 1.61 1.04 -0.76 -1.81 113.70 112.81 1k3i s SER 402 Ca 0.00 -1.00 0.04 0.00 0.48 0.00 0.00 55.95 55.47 1k3i s SER 402 Cb 0.00 0.10 0.72 0.00 0.10 0.00 0.00 66.02 66.94 1k3i s SER 402 CO 0.00 -0.47 2.01 1.55 0.98 0.00 0.00 173.24 177.31 1k3i h PRO 403 N 2.99 0.68 -6.48 4.02 0.13 -1.75 0.14 132.00 131.72 1k3i h PRO 403 Ca -0.35 -0.05 -0.63 0.00 -0.87 0.00 0.00 66.00 64.09 1k3i h PRO 403 Cb 1.16 -0.15 -0.15 0.00 0.13 0.00 0.00 31.00 31.99 1k3i h PRO 403 CO 0.65 0.48 -0.76 -0.51 -0.23 0.00 0.00 178.00 177.63 1k3i s ASP 404 N -6.59 3.95 0.16 1.44 1.01 -1.26 -4.48 116.67 110.90 1k3i s ASP 404 Ca -0.09 -0.70 -0.15 0.00 0.71 0.00 0.00 52.55 52.32 1k3i s ASP 404 Cb 0.17 -0.55 0.08 0.00 1.01 0.00 0.00 42.92 43.64 1k3i s ASP 404 CO 0.75 0.10 1.78 0.22 0.21 0.00 0.00 175.17 178.24 1k3i h TYR 405 N 2.95 0.40 -3.28 4.23 5.03 -1.91 -3.43 116.97 120.96 1k3i h TYR 405 Ca -0.46 0.02 -0.35 0.00 2.58 0.00 0.00 58.73 60.51 1k3i h TYR 405 Cb 1.21 -0.12 -0.15 0.00 1.55 0.00 0.00 36.73 39.23 1k3i h TYR 405 CO 0.67 0.21 -0.71 1.14 -1.32 0.00 0.00 178.16 178.15 1k3i s GLN 406 N -6.15 1.13 -1.43 1.82 -2.07 -1.26 -4.79 119.66 106.91 1k3i s GLN 406 Ca -0.13 -1.50 -0.10 0.00 -1.82 0.00 0.00 55.36 51.81 1k3i s GLN 406 Cb 0.12 -0.72 0.05 0.00 -1.09 0.00 0.00 33.01 31.37 1k3i s GLN 406 CO 0.72 0.08 1.06 -0.25 -1.32 0.00 0.00 175.29 175.58 1k3i n ASP 407 N -0.25 -5.16 -3.93 12.60 8.00 0.11 -4.98 116.55 122.95 1k3i n ASP 407 Ca -0.09 -0.67 -0.09 0.00 0.71 0.00 0.00 54.79 54.64 1k3i n ASP 407 Cb 0.61 -4.43 -0.09 0.00 -0.02 0.00 0.00 41.12 37.18 1k3i n ASP 407 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1k3i s SER 408 N -3.42 0.17 0.07 -2.24 1.04 -1.26 -4.99 113.70 103.07 1k3i s SER 408 Ca 0.57 -0.52 -0.29 0.00 0.48 0.00 0.00 55.95 56.18 1k3i s SER 408 Cb -0.27 0.23 -0.05 0.00 0.10 0.00 0.00 66.02 66.03 1k3i s SER 408 CO 0.78 -0.50 0.94 -1.81 0.98 0.00 0.00 173.24 173.63 1k3i s ASP 409 N -2.09 7.42 0.80 7.02 1.01 -1.26 -2.70 116.67 126.87 1k3i s ASP 409 Ca -0.05 1.71 -0.12 0.00 0.71 0.00 0.00 52.55 54.80 1k3i s ASP 409 Cb -0.01 -2.57 0.07 0.00 1.01 0.00 0.00 42.92 41.42 1k3i s ASP 409 CO -0.04 -0.10 1.11 0.00 0.21 0.00 0.00 175.17 176.34 1k3i s ALA 410 N 0.25 2.33 0.37 5.23 0.00 -0.03 -4.38 121.76 125.54 1k3i s ALA 410 Ca 0.47 -0.31 0.04 0.00 0.00 0.00 0.00 51.96 52.16 1k3i s ALA 410 Cb -0.22 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 1k3i s ALA 410 CO 0.28 -1.69 0.08 0.95 0.00 0.00 0.00 175.76 175.39 1k3i s THR 411 N -3.24 0.96 -2.30 0.00 -4.23 -0.75 -4.72 115.64 101.36 1k3i s THR 411 Ca 0.61 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.33 1k3i s THR 411 Cb -0.14 -2.58 0.46 0.00 1.34 0.00 0.00 72.50 71.59 1k3i s THR 411 CO 0.53 0.00 1.44 0.35 -0.54 0.00 0.00 174.62 176.41 1k3i n THR 412 N -0.82 0.52 -1.62 3.99 -2.24 -1.26 -3.56 114.28 109.29 1k3i n THR 412 Ca -0.05 -0.67 -0.47 0.00 -2.27 0.00 0.00 64.05 60.59 1k3i n THR 412 Cb 0.66 0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 69.54 1k3i n THR 412 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1k3i n ASN 413 N 1.17 1.95 -3.71 3.42 3.02 -1.26 -1.06 115.26 118.78 1k3i n ASN 413 Ca 0.19 1.14 -0.12 0.00 -0.03 0.00 0.00 54.58 55.76 1k3i n ASN 413 Cb 0.52 -1.31 -0.10 0.00 -0.61 0.00 0.00 39.78 38.27 1k3i n ASN 413 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1k3i s ALA 414 N -0.17 -1.03 0.12 5.41 0.00 -1.26 -1.40 121.76 123.43 1k3i s ALA 414 Ca 0.70 1.34 0.02 0.00 0.00 0.00 0.00 51.96 54.02 1k3i s ALA 414 Cb -0.76 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 1k3i s ALA 414 CO 0.51 -0.23 -0.04 -1.01 0.00 0.00 0.00 175.76 174.99 1k3i s HIS 415 N 0.79 1.01 -0.20 0.00 3.76 -0.32 -0.87 115.29 119.46 1k3i s HIS 415 Ca -0.05 -0.95 0.01 0.00 -0.15 0.00 0.00 55.06 53.93 1k3i s HIS 415 Cb -0.06 -0.57 0.03 0.00 1.11 0.00 0.00 32.58 33.09 1k3i s HIS 415 CO -0.06 -0.16 -0.18 0.42 -0.85 0.00 0.00 174.74 173.91 1k3i s ILE 416 N -3.63 2.13 -0.15 0.60 -1.09 0.03 -1.28 121.20 117.81 1k3i s ILE 416 Ca 0.16 -1.06 -0.05 0.00 -2.23 0.00 0.00 60.65 57.47 1k3i s ILE 416 Cb 0.05 -1.96 -0.04 0.00 -1.58 0.00 0.00 42.46 38.93 1k3i s ILE 416 CO -0.02 0.43 0.03 -0.63 -1.23 0.00 0.00 174.94 173.52 1k3i s ILE 417 N 1.26 4.50 -0.38 2.92 1.01 0.30 -1.92 121.20 128.89 1k3i s ILE 417 Ca 0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 60.65 60.49 1k3i s ILE 417 Cb -0.14 -2.98 0.09 0.00 0.01 0.00 0.00 42.46 39.44 1k3i s ILE 417 CO -0.11 0.52 0.15 -0.89 0.00 0.00 0.00 174.94 174.61 1k3i s THR 418 N -0.06 3.31 0.24 2.92 2.01 -0.64 -1.07 115.64 122.35 1k3i s THR 418 Ca 0.05 -1.80 -0.30 0.00 0.31 0.00 0.00 61.69 59.95 1k3i s THR 418 Cb -0.12 -3.14 -0.09 0.00 0.01 0.00 0.00 72.50 69.15 1k3i s THR 418 CO 0.02 -0.51 1.08 -0.76 -0.69 0.00 0.00 174.62 173.75 1k3i s LEU 419 N 1.20 4.55 0.00 4.42 1.43 0.68 -3.66 118.68 127.30 1k3i s LEU 419 Ca 0.04 2.17 0.00 0.00 -1.03 0.00 0.00 54.13 55.31 1k3i s LEU 419 Cb -0.22 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.38 1k3i s LEU 419 CO -0.03 -0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.04 1k3i n GLY 420 N 1.50 4.44 3.82 -3.19 0.00 -1.26 -4.39 105.19 106.11 1k3i n GLY 420 Ca -0.00 -1.53 -0.33 0.00 0.00 0.00 0.00 46.02 44.17 1k3i n GLY 420 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k3i s GLU 421 N 4.94 4.01 0.39 1.61 0.41 -1.26 -4.99 118.70 123.81 1k3i s GLU 421 Ca 0.00 1.11 -0.26 0.00 -0.41 0.00 0.00 54.97 55.40 1k3i s GLU 421 Cb 0.00 -2.14 -0.11 0.00 -1.78 0.00 0.00 34.13 30.10 1k3i s GLU 421 CO 0.00 -0.22 1.19 -2.30 -0.49 0.00 0.00 175.26 173.44 1k3i n PRO 422 N -1.10 1.79 0.00 0.39 -0.02 -1.26 -2.13 135.00 132.67 1k3i n PRO 422 Ca 0.07 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1k3i n PRO 422 Cb 0.54 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1k3i n PRO 422 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k3i n GLY 423 N 0.93 2.21 3.91 -1.23 0.00 -1.26 -5.05 105.19 104.70 1k3i n GLY 423 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1k3i n GLY 423 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k3i s THR 424 N -2.36 5.18 -0.40 2.61 -4.23 -0.91 -4.96 115.64 110.57 1k3i s THR 424 Ca 0.00 -0.16 -0.23 0.00 -1.18 0.00 0.00 61.69 60.12 1k3i s THR 424 Cb 0.00 -3.68 0.02 0.00 1.34 0.00 0.00 72.50 70.17 1k3i s THR 424 CO 0.00 -0.09 0.77 -0.44 -0.54 0.00 0.00 174.62 174.33 1k3i s SER 425 N -2.84 6.48 0.54 3.99 0.01 -1.26 -4.84 113.70 115.78 1k3i s SER 425 Ca 0.40 0.12 -0.20 0.00 1.31 0.00 0.00 55.95 57.58 1k3i s SER 425 Cb -0.11 -2.39 -0.06 0.00 0.21 0.00 0.00 66.02 63.67 1k3i s SER 425 CO 0.27 -0.81 1.15 -2.16 0.41 0.00 0.00 173.24 172.11 1k3i s PRO 426 N 3.17 3.36 0.28 12.44 0.04 -1.26 -5.00 135.00 148.02 1k3i s PRO 426 Ca 0.30 1.69 -0.29 0.00 0.04 0.00 0.00 61.00 62.74 1k3i s PRO 426 Cb -0.13 -2.06 -0.09 0.00 0.04 0.00 0.00 34.50 32.26 1k3i s PRO 426 CO 0.20 -0.86 1.01 1.21 0.04 0.00 0.00 177.00 178.59 1k3i s ASN 427 N -1.66 7.38 -0.01 6.66 3.84 -1.24 -4.86 114.94 125.05 1k3i s ASN 427 Ca 0.72 2.07 0.03 0.00 0.21 0.00 0.00 52.86 55.88 1k3i s ASN 427 Cb -0.26 -2.61 -0.01 0.00 -0.55 0.00 0.00 41.25 37.82 1k3i s ASN 427 CO 0.30 -0.04 -0.09 0.42 -2.79 0.00 0.00 177.10 174.89 1k3i s THR 428 N -1.27 0.74 0.23 -5.21 -4.23 -1.26 -1.61 115.64 103.03 1k3i s THR 428 Ca 0.45 -0.39 0.01 0.00 -1.18 0.00 0.00 61.69 60.58 1k3i s THR 428 Cb -0.27 -0.63 -0.05 0.00 1.34 0.00 0.00 72.50 72.89 1k3i s THR 428 CO 0.34 0.21 0.10 0.68 -0.54 0.00 0.00 174.62 175.41 1k3i s VAL 429 N -0.14 0.40 0.24 2.29 -7.23 -0.81 -4.48 120.40 110.66 1k3i s VAL 429 Ca 0.02 -1.99 -0.22 0.00 -1.81 0.00 0.00 61.98 57.98 1k3i s VAL 429 Cb -0.05 -2.53 -0.09 0.00 0.56 0.00 0.00 36.38 34.28 1k3i s VAL 429 CO -0.00 -0.06 0.79 0.12 -0.31 0.00 0.00 175.10 175.64 1k3i s PHE 430 N -3.87 3.70 -0.40 2.82 5.36 -1.26 -0.79 117.98 123.54 1k3i s PHE 430 Ca 0.36 1.54 -0.23 0.00 -0.96 0.00 0.00 56.93 57.65 1k3i s PHE 430 Cb 0.07 -2.73 0.02 0.00 -0.34 0.00 0.00 43.02 40.04 1k3i s PHE 430 CO 0.12 0.33 0.76 0.00 -1.46 0.00 0.00 175.22 174.97 1k3i s ALA 431 N -1.49 3.38 0.00 11.12 0.00 -0.05 -4.72 121.76 130.00 1k3i s ALA 431 Ca 0.44 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.56 1k3i s ALA 431 Cb -0.18 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1k3i s ALA 431 CO 0.23 -1.64 0.00 0.45 0.00 0.00 0.00 175.76 174.79 1k3i n SER 432 N 6.47 0.00 -0.92 0.00 2.88 -1.26 -0.96 113.62 119.83 1k3i n SER 432 Ca 0.02 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.62 1k3i n SER 432 Cb 0.48 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 64.19 1k3i n SER 432 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1k3i n ASN 433 N 2.93 3.58 0.00 -3.46 4.05 -1.26 -5.09 115.26 116.01 1k3i n ASN 433 Ca 0.00 -3.16 0.00 0.00 0.45 0.00 0.00 54.58 51.87 1k3i n ASN 433 Cb 0.00 -0.56 0.00 0.00 1.23 0.00 0.00 39.78 40.45 1k3i n ASN 433 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1k3i n GLY 434 N -0.67 -0.82 3.74 8.20 0.00 -0.14 -4.95 105.19 110.56 1k3i n GLY 434 Ca 0.24 -1.70 -0.35 0.00 0.00 0.00 0.00 46.02 44.21 1k3i n GLY 434 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k3i s LEU 435 N -1.71 3.49 0.18 0.99 1.43 -0.22 -4.93 118.68 117.92 1k3i s LEU 435 Ca 0.00 2.33 -0.05 0.00 -1.03 0.00 0.00 54.13 55.38 1k3i s LEU 435 Cb 0.00 -4.59 0.09 0.00 0.03 0.00 0.00 46.19 41.72 1k3i s LEU 435 CO 0.00 -1.86 1.50 1.88 0.23 0.00 0.00 176.35 178.10 1k3i h TYR 436 N 0.32 0.78 -3.21 0.29 0.05 -1.92 -3.43 116.97 109.84 1k3i h TYR 436 Ca -0.49 -0.27 -0.53 0.00 0.05 0.00 0.00 58.73 57.50 1k3i h TYR 436 Cb 1.29 -0.15 -0.36 0.00 1.01 0.00 0.00 36.73 38.52 1k3i h TYR 436 CO 0.48 1.01 -0.80 -0.06 -1.05 0.00 0.00 178.16 177.73 1k3i s PHE 437 N -4.08 1.49 0.34 4.88 0.08 -1.26 -5.09 117.98 114.34 1k3i s PHE 437 Ca -0.08 -0.72 -0.29 0.00 0.12 0.00 0.00 56.93 55.96 1k3i s PHE 437 Cb 0.11 -1.22 -0.11 0.00 -0.57 0.00 0.00 43.02 41.23 1k3i s PHE 437 CO 0.85 -0.49 1.52 0.00 -0.10 0.00 0.00 175.22 177.00 1k3i s ALA 438 N 1.57 3.64 -0.00 5.36 0.00 -1.26 -4.87 121.76 126.20 1k3i s ALA 438 Ca 0.03 1.56 -0.29 0.00 0.00 0.00 0.00 51.96 53.26 1k3i s ALA 438 Cb -0.13 -3.62 0.08 0.00 0.00 0.00 0.00 23.12 19.45 1k3i s ALA 438 CO -0.07 -1.01 0.71 -0.98 0.00 0.00 0.00 175.76 174.41 1k3i s ARG 439 N -1.40 1.05 0.04 0.00 1.70 -1.23 -4.28 118.95 114.82 1k3i s ARG 439 Ca 0.57 0.01 -0.00 0.00 -0.47 0.00 0.00 55.73 55.84 1k3i s ARG 439 Cb -0.47 0.49 -0.03 0.00 -0.57 0.00 0.00 34.95 34.38 1k3i s ARG 439 CO 0.56 -0.38 -0.04 -0.08 -1.08 0.00 0.00 175.30 174.29 1k3i s THR 440 N -2.00 0.23 0.00 4.99 -1.32 -0.48 -1.04 115.64 116.02 1k3i s THR 440 Ca -0.06 -1.31 0.00 0.00 -1.21 0.00 0.00 61.69 59.11 1k3i s THR 440 Cb -0.00 -0.83 0.00 0.00 -1.51 0.00 0.00 72.50 70.16 1k3i s THR 440 CO 0.02 -0.69 0.00 0.49 -2.21 0.00 0.00 174.62 172.23 1k3i n PHE 441 N 0.96 0.00 -1.60 9.09 3.72 -1.22 -1.43 117.46 126.98 1k3i n PHE 441 Ca -0.20 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 56.91 1k3i n PHE 441 Cb 0.57 -0.60 0.11 0.00 -0.94 0.00 0.00 39.48 38.63 1k3i n PHE 441 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 176.76 173.33 1k3i s HIS 442 N -1.70 2.68 0.22 1.38 -3.43 -1.26 -4.24 115.29 108.93 1k3i s HIS 442 Ca 0.00 0.92 0.03 0.00 -0.80 0.00 0.00 55.06 55.22 1k3i s HIS 442 Cb 0.00 -3.32 -0.05 0.00 -1.43 0.00 0.00 32.58 27.78 1k3i s HIS 442 CO 0.00 -2.09 -0.01 0.95 -2.00 0.00 0.00 174.74 171.58 1k3i s THR 443 N -3.29 1.02 0.10 -5.38 -4.23 -0.55 -4.65 115.64 98.65 1k3i s THR 443 Ca 0.63 -2.03 -0.23 0.00 -1.18 0.00 0.00 61.69 58.87 1k3i s THR 443 Cb -0.14 -2.27 0.06 0.00 1.34 0.00 0.00 72.50 71.49 1k3i s THR 443 CO 0.53 -0.38 0.56 -0.94 -0.54 0.00 0.00 174.62 173.85 1k3i s SER 444 N -3.28 -0.50 -0.03 3.99 1.04 -1.26 -1.13 113.70 112.53 1k3i s SER 444 Ca 0.27 0.09 -0.09 0.00 0.48 0.00 0.00 55.95 56.70 1k3i s SER 444 Cb 0.05 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.73 1k3i s SER 444 CO 0.07 -0.84 0.19 0.68 0.98 0.00 0.00 173.24 174.33 1k3i s VAL 445 N -3.08 0.05 0.01 5.02 -7.23 -0.62 -4.88 120.40 109.67 1k3i s VAL 445 Ca -0.02 -0.43 -0.22 0.00 -1.81 0.00 0.00 61.98 59.50 1k3i s VAL 445 Cb -0.00 -0.43 -0.05 0.00 0.56 0.00 0.00 36.38 36.46 1k3i s VAL 445 CO -0.07 -0.24 0.66 0.54 -0.31 0.00 0.00 175.10 175.69 1k3i s VAL 446 N -0.90 4.85 0.43 1.32 0.11 -1.26 -1.02 120.40 123.93 1k3i s VAL 446 Ca -0.10 1.39 0.02 0.00 -2.93 0.00 0.00 61.98 60.36 1k3i s VAL 446 Cb -0.05 -4.00 -0.00 0.00 -1.53 0.00 0.00 36.38 30.79 1k3i s VAL 446 CO 0.02 0.39 0.63 -0.76 -3.33 0.00 0.00 175.10 172.04 1k3i s LEU 447 N -0.08 3.71 0.34 2.54 1.43 0.68 -4.91 118.68 122.39 1k3i s LEU 447 Ca 0.34 0.15 0.13 0.00 -1.03 0.00 0.00 54.13 53.72 1k3i s LEU 447 Cb -0.19 -3.05 0.99 0.00 0.03 0.00 0.00 46.19 43.97 1k3i s LEU 447 CO 0.19 -0.66 1.72 -0.65 0.23 0.00 0.00 176.35 177.18 1k3i h PRO 448 N 0.50 0.46 -0.11 1.29 0.11 -1.92 -0.46 132.00 131.88 1k3i h PRO 448 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1k3i h PRO 448 Cb 1.26 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1k3i h PRO 448 CO 0.56 0.30 0.00 -0.40 -0.21 0.00 0.00 178.00 178.25 1k3i n ASP 449 N -4.88 0.74 0.00 -2.05 5.68 -1.26 -4.72 116.55 110.06 1k3i n ASP 449 Ca 0.28 -1.75 0.00 0.00 -0.50 0.00 0.00 54.79 52.82 1k3i n ASP 449 Cb 0.85 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.76 1k3i n ASP 449 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k3i n GLY 450 N 0.84 1.07 3.85 6.12 0.00 -0.18 -5.01 105.19 111.88 1k3i n GLY 450 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1k3i n GLY 450 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k3i s SER 451 N -2.77 6.11 -0.16 1.61 1.04 -1.26 -4.65 113.70 113.62 1k3i s SER 451 Ca 0.00 1.52 0.00 0.00 0.48 0.00 0.00 55.95 57.95 1k3i s SER 451 Cb 0.00 -2.49 -0.00 0.00 0.10 0.00 0.00 66.02 63.63 1k3i s SER 451 CO 0.00 -0.94 -0.15 -0.89 0.98 0.00 0.00 173.24 172.23 1k3i s THR 452 N -2.99 2.67 -0.15 2.02 2.01 -0.58 -0.23 115.64 118.38 1k3i s THR 452 Ca 0.57 -0.77 -0.17 0.00 0.31 0.00 0.00 61.69 61.63 1k3i s THR 452 Cb -0.12 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 1k3i s THR 452 CO 0.48 0.51 0.45 0.12 -0.69 0.00 0.00 174.62 175.50 1k3i s PHE 453 N 0.84 3.46 -0.12 4.92 5.36 -0.19 -1.09 117.98 131.17 1k3i s PHE 453 Ca -0.05 0.79 0.02 0.00 -0.96 0.00 0.00 56.93 56.73 1k3i s PHE 453 Cb -0.15 -2.55 0.01 0.00 -0.34 0.00 0.00 43.02 39.99 1k3i s PHE 453 CO -0.01 0.09 -0.19 0.42 -1.46 0.00 0.00 175.22 174.08 1k3i s ILE 454 N 0.92 1.79 0.02 3.12 1.01 0.74 -1.59 121.20 127.21 1k3i s ILE 454 Ca 0.23 -0.83 -0.10 0.00 0.00 0.00 0.00 60.65 59.96 1k3i s ILE 454 Cb -0.15 -1.59 0.01 0.00 0.01 0.00 0.00 42.46 40.74 1k3i s ILE 454 CO 0.09 0.50 0.20 0.28 0.00 0.00 0.00 174.94 176.01 1k3i s THR 455 N 0.79 0.09 0.00 2.92 -1.32 -0.29 -0.91 115.64 116.93 1k3i s THR 455 Ca -0.09 -0.77 0.00 0.00 -1.21 0.00 0.00 61.69 59.62 1k3i s THR 455 Cb -0.16 -0.74 0.00 0.00 -1.51 0.00 0.00 72.50 70.09 1k3i s THR 455 CO 0.00 -0.42 0.00 0.61 -2.21 0.00 0.00 174.62 172.60 1k3i n GLY 456 N 0.97 -0.75 0.00 6.08 0.00 -1.26 -1.49 105.19 108.75 1k3i n GLY 456 Ca -0.20 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1k3i n GLY 456 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k3i n GLY 457 N 0.00 -0.40 3.14 -0.02 0.00 0.66 -4.55 105.19 104.02 1k3i n GLY 457 Ca 0.00 -1.83 -0.08 0.00 0.00 0.00 0.00 46.02 44.11 1k3i n GLY 457 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1k3i s GLN 458 N -1.06 0.72 0.31 1.61 -2.07 -0.51 -1.54 119.66 117.11 1k3i s GLN 458 Ca 0.00 -1.12 0.09 0.00 -1.82 0.00 0.00 55.36 52.52 1k3i s GLN 458 Cb 0.00 0.27 0.51 0.00 -1.09 0.00 0.00 33.01 32.69 1k3i s GLN 458 CO 0.00 -0.18 1.71 0.00 -1.32 0.00 0.00 175.29 175.50 1k3i h ARG 459 N 2.97 0.11 -4.16 9.60 3.08 -1.27 -1.28 114.38 123.43 1k3i h ARG 459 Ca -0.34 -0.06 -0.50 0.00 0.07 0.00 0.00 59.98 59.16 1k3i h ARG 459 Cb 1.17 0.00 -0.36 0.00 0.08 0.00 0.00 29.97 30.85 1k3i h ARG 459 CO 0.62 0.55 -0.79 0.50 -1.07 0.00 0.00 179.97 179.77 1k3i s ARG 460 N -4.03 1.31 -0.37 0.04 3.52 -1.26 -0.85 118.95 117.31 1k3i s ARG 460 Ca -0.03 -0.20 -0.28 0.00 -0.13 0.00 0.00 55.73 55.09 1k3i s ARG 460 Cb 0.13 -1.37 -0.01 0.00 -1.56 0.00 0.00 34.95 32.15 1k3i s ARG 460 CO 0.76 -0.21 1.67 0.20 -0.81 0.00 0.00 175.30 176.91 1k3i s GLY 461 N 1.50 0.86 -0.39 8.12 0.00 -1.10 -4.92 107.32 111.40 1k3i s GLY 461 Ca 0.00 0.06 0.01 0.00 0.00 0.00 0.00 44.72 44.80 1k3i s GLY 461 CO -0.05 3.11 0.24 -0.42 0.00 0.00 0.00 173.10 175.97 1k3i s ILE 462 N 6.51 0.62 0.09 0.90 -1.09 -1.26 0.07 121.20 127.03 1k3i s ILE 462 Ca 0.73 -2.11 -0.36 0.00 -2.23 0.00 0.00 60.65 56.68 1k3i s ILE 462 Cb -0.19 -1.45 -0.18 0.00 -1.58 0.00 0.00 42.46 39.07 1k3i s ILE 462 CO 0.33 -0.98 1.14 -2.65 -1.23 0.00 0.00 174.94 171.55 1k3i n PRO 463 N 3.74 0.67 -0.51 2.79 -0.02 -1.26 -1.42 135.00 138.98 1k3i n PRO 463 Ca 0.12 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1k3i n PRO 463 Cb 0.37 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 1k3i n PRO 463 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1k3i n PHE 464 N 1.72 0.00 -4.37 6.00 0.99 -1.26 -5.01 117.46 115.53 1k3i n PHE 464 Ca 0.18 0.00 -0.34 0.00 -0.00 0.00 0.00 57.45 57.29 1k3i n PHE 464 Cb 0.17 -0.05 -0.11 0.00 -1.00 0.00 0.00 39.48 38.49 1k3i n PHE 464 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 1k3i s GLU 465 N -0.02 3.42 -0.31 -1.08 2.12 -0.51 -4.74 118.70 117.57 1k3i s GLU 465 Ca 0.00 -0.47 0.02 0.00 0.36 0.00 0.00 54.97 54.88 1k3i s GLU 465 Cb 0.00 -2.88 0.39 0.00 0.26 0.00 0.00 34.13 31.89 1k3i s GLU 465 CO 0.00 0.42 1.68 -0.25 -0.54 0.00 0.00 175.26 176.57 1k3i n ASP 466 N 3.00 4.26 -4.87 -1.70 9.92 -1.26 -4.79 116.55 121.12 1k3i n ASP 466 Ca -0.18 -3.07 -0.30 0.00 -0.53 0.00 0.00 54.79 50.71 1k3i n ASP 466 Cb 0.53 -0.79 0.05 0.00 -0.64 0.00 0.00 41.12 40.27 1k3i n ASP 466 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1k3i s SER 467 N -0.43 5.41 -1.22 -2.24 1.04 -1.26 -4.23 113.70 110.77 1k3i s SER 467 Ca 0.37 1.20 -0.04 0.00 0.48 0.00 0.00 55.95 57.95 1k3i s SER 467 Cb 0.30 -2.02 0.04 0.00 0.10 0.00 0.00 66.02 64.45 1k3i s SER 467 CO 0.05 -1.37 0.11 0.35 0.98 0.00 0.00 173.24 173.36 1k3i n THR 468 N -3.04 -0.56 -2.18 2.02 -2.24 -1.26 -4.64 114.28 102.37 1k3i n THR 468 Ca 0.07 -0.28 -0.37 0.00 -2.27 0.00 0.00 64.05 61.20 1k3i n THR 468 Cb 0.57 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 1k3i n THR 468 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1k3i s PRO 469 N -6.13 3.57 -0.35 -0.78 0.04 -1.26 -1.05 135.00 129.04 1k3i s PRO 469 Ca 0.15 1.81 -0.07 0.00 0.04 0.00 0.00 61.00 62.93 1k3i s PRO 469 Cb -0.09 -2.30 0.04 0.00 0.04 0.00 0.00 34.50 32.19 1k3i s PRO 469 CO 0.75 -0.72 0.13 0.08 0.04 0.00 0.00 177.00 177.28 1k3i s VAL 470 N -1.55 3.94 -0.83 -0.36 1.01 -0.59 -4.87 120.40 117.15 1k3i s VAL 470 Ca 0.67 -1.08 0.24 0.00 0.00 0.00 0.00 61.98 61.80 1k3i s VAL 470 Cb -0.29 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 1k3i s VAL 470 CO 0.35 -0.19 1.22 0.49 0.00 0.00 0.00 175.10 176.97 1k3i n PHE 471 N 4.85 0.16 -3.50 5.22 3.72 -1.26 -4.05 117.46 122.60 1k3i n PHE 471 Ca -0.12 0.05 -0.40 0.00 -0.05 0.00 0.00 57.45 56.92 1k3i n PHE 471 Cb 0.45 -0.34 -0.10 0.00 -0.94 0.00 0.00 39.48 38.55 1k3i n PHE 471 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1k3i s THR 472 N -3.08 5.25 0.79 4.37 2.01 -1.26 -1.73 115.64 121.99 1k3i s THR 472 Ca 0.08 -0.04 -0.12 0.00 0.31 0.00 0.00 61.69 61.92 1k3i s THR 472 Cb 0.16 -3.71 0.06 0.00 0.01 0.00 0.00 72.50 69.02 1k3i s THR 472 CO 0.75 0.02 1.12 -2.84 -0.69 0.00 0.00 174.62 172.98 1k3i s PRO 473 N 1.83 2.17 0.04 4.92 0.02 -1.26 -4.81 135.00 137.90 1k3i s PRO 473 Ca 0.08 0.41 0.02 0.00 0.02 0.00 0.00 61.00 61.54 1k3i s PRO 473 Cb -0.17 -1.95 -0.02 0.00 0.02 0.00 0.00 34.50 32.38 1k3i s PRO 473 CO 0.11 -1.51 -0.08 -1.21 -0.33 0.00 0.00 177.00 173.98 1k3i s GLU 474 N -5.33 0.53 -0.08 5.54 2.02 -0.09 -1.19 118.70 120.10 1k3i s GLU 474 Ca 0.61 -0.74 0.02 0.00 0.02 0.00 0.00 54.97 54.88 1k3i s GLU 474 Cb -0.13 -0.31 0.01 0.00 0.10 0.00 0.00 34.13 33.81 1k3i s GLU 474 CO 0.52 0.06 -0.16 0.42 0.02 0.00 0.00 175.26 176.12 1k3i s ILE 475 N -1.33 1.44 -0.21 -1.63 1.01 -0.10 -0.18 121.20 120.19 1k3i s ILE 475 Ca -0.09 -0.64 -0.13 0.00 0.00 0.00 0.00 60.65 59.79 1k3i s ILE 475 Cb -0.10 -1.29 -0.05 0.00 0.01 0.00 0.00 42.46 41.04 1k3i s ILE 475 CO 0.00 0.42 0.26 -0.47 0.00 0.00 0.00 174.94 175.16 1k3i s TYR 476 N 0.69 3.36 -0.40 3.97 5.04 -0.25 -0.54 117.35 129.23 1k3i s TYR 476 Ca -0.13 0.42 -0.07 0.00 -2.44 0.00 0.00 57.07 54.85 1k3i s TYR 476 Cb -0.16 -2.36 0.08 0.00 0.35 0.00 0.00 41.96 39.87 1k3i s TYR 476 CO 0.03 0.08 0.21 0.08 -1.34 0.00 0.00 175.55 174.62 1k3i s VAL 477 N 1.00 3.86 0.23 3.14 1.01 -0.13 -1.53 120.40 127.99 1k3i s VAL 477 Ca 0.13 -1.53 -0.06 0.00 0.00 0.00 0.00 61.98 60.52 1k3i s VAL 477 Cb -0.14 -3.39 0.19 0.00 0.00 0.00 0.00 36.38 33.04 1k3i s VAL 477 CO 0.05 -0.48 1.78 1.55 0.00 0.00 0.00 175.10 177.99 1k3i h PRO 478 N 8.27 0.59 -0.04 2.72 0.13 -1.85 -0.56 132.00 141.27 1k3i h PRO 478 Ca -0.21 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 64.90 1k3i h PRO 478 Cb 1.07 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 1k3i h PRO 478 CO 0.71 0.39 0.05 1.49 -0.23 0.00 0.00 178.00 180.41 1k3i h GLU 479 N 0.61 0.00 -0.01 0.86 4.57 -1.96 -1.72 114.58 116.94 1k3i h GLU 479 Ca 0.37 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.55 1k3i h GLU 479 Cb 0.41 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1k3i h GLU 479 CO -0.28 0.00 -0.41 1.04 -1.18 0.00 0.00 179.01 178.18 1k3i n GLN 480 N -3.75 2.25 -3.96 1.92 6.02 -0.92 -5.00 117.38 113.95 1k3i n GLN 480 Ca -0.02 -0.42 -0.29 0.00 -0.01 0.00 0.00 57.00 56.26 1k3i n GLN 480 Cb 0.14 -1.15 -0.01 0.00 1.02 0.00 0.00 30.24 30.23 1k3i n GLN 480 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1k3i n ASP 481 N -0.64 -1.39 -3.93 1.08 2.03 -0.26 -4.96 116.55 108.48 1k3i n ASP 481 Ca 0.04 -1.07 -0.12 0.00 0.52 0.00 0.00 54.79 54.16 1k3i n ASP 481 Cb 0.25 -2.83 -0.13 0.00 -0.72 0.00 0.00 41.12 37.68 1k3i n ASP 481 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1k3i s THR 482 N -3.89 0.15 -0.06 5.18 2.01 -1.13 -4.24 115.64 113.67 1k3i s THR 482 Ca 0.13 -0.33 -0.04 0.00 0.31 0.00 0.00 61.69 61.77 1k3i s THR 482 Cb -0.05 -0.18 -0.04 0.00 0.01 0.00 0.00 72.50 72.23 1k3i s THR 482 CO 0.90 -0.11 0.13 -0.36 -0.69 0.00 0.00 174.62 174.49 1k3i s PHE 483 N -0.44 3.47 -0.08 4.92 0.40 -1.26 -0.95 117.98 124.03 1k3i s PHE 483 Ca -0.04 0.37 0.02 0.00 -0.60 0.00 0.00 56.93 56.68 1k3i s PHE 483 Cb -0.03 -1.84 0.02 0.00 0.51 0.00 0.00 43.02 41.67 1k3i s PHE 483 CO -0.00 0.64 -0.12 0.71 0.70 0.00 0.00 175.22 177.15 1k3i s TYR 484 N -1.15 1.56 0.35 0.36 2.02 0.30 -4.94 117.35 115.85 1k3i s TYR 484 Ca 0.20 -0.64 -0.26 0.00 -0.37 0.00 0.00 57.07 56.00 1k3i s TYR 484 Cb -0.12 -1.16 -0.09 0.00 -0.40 0.00 0.00 41.96 40.18 1k3i s TYR 484 CO 0.11 -0.35 1.10 0.15 -1.57 0.00 0.00 175.55 174.98 1k3i s LYS 485 N 0.91 4.32 0.50 -0.62 1.02 -1.26 -0.92 119.74 123.69 1k3i s LYS 485 Ca -0.10 1.71 0.06 0.00 0.02 0.00 0.00 55.97 57.66 1k3i s LYS 485 Cb -0.15 -2.83 0.01 0.00 -0.52 0.00 0.00 37.83 34.34 1k3i s LYS 485 CO 0.01 -0.05 0.33 -0.65 -0.92 0.00 0.00 175.35 174.07 1k3i s GLN 486 N -2.04 2.28 0.35 1.68 -1.52 -0.33 -4.92 119.66 115.16 1k3i s GLN 486 Ca 0.52 -1.97 -0.28 0.00 -1.95 0.00 0.00 55.36 51.68 1k3i s GLN 486 Cb -0.28 -2.06 -0.10 0.00 -0.22 0.00 0.00 33.01 30.34 1k3i s GLN 486 CO 0.36 -0.46 1.36 -0.80 -0.25 0.00 0.00 175.29 175.49 1k3i s ASN 487 N -4.17 6.61 0.62 5.90 0.01 -0.55 -4.37 114.94 119.00 1k3i s ASN 487 Ca 0.34 2.79 -0.12 0.00 -0.71 0.00 0.00 52.86 55.16 1k3i s ASN 487 Cb -0.01 -2.65 -0.03 0.00 0.41 0.00 0.00 41.25 38.96 1k3i s ASN 487 CO 0.21 -0.66 1.03 -2.16 -1.51 0.00 0.00 177.10 174.01 1k3i s PRO 488 N -1.91 3.44 0.47 -0.60 0.04 -1.26 -4.46 135.00 130.71 1k3i s PRO 488 Ca 0.51 0.88 0.04 0.00 0.04 0.00 0.00 61.00 62.46 1k3i s PRO 488 Cb -0.42 -2.06 0.04 0.00 0.04 0.00 0.00 34.50 32.10 1k3i s PRO 488 CO 0.56 -0.70 0.30 0.27 0.04 0.00 0.00 177.00 177.47 1k3i n ASN 489 N -2.61 2.61 -0.19 6.66 6.94 -0.70 -4.90 115.26 123.06 1k3i n ASN 489 Ca 0.07 -2.67 0.03 0.00 -0.02 0.00 0.00 54.58 51.99 1k3i n ASN 489 Cb 0.54 0.01 0.01 0.00 -2.36 0.00 0.00 39.78 37.98 1k3i n ASN 489 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1k3i n SER 490 N -1.77 1.17 -4.44 0.53 3.41 -1.26 -4.85 113.62 106.41 1k3i n SER 490 Ca -0.04 -1.08 -0.33 0.00 -0.26 0.00 0.00 58.87 57.15 1k3i n SER 490 Cb 0.54 0.32 -0.13 0.00 -0.26 0.00 0.00 64.21 64.67 1k3i n SER 490 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1k3i s ILE 491 N -0.89 3.53 0.13 -1.33 1.01 -1.26 -4.74 121.20 117.64 1k3i s ILE 491 Ca 0.06 -0.49 -0.31 0.00 0.00 0.00 0.00 60.65 59.92 1k3i s ILE 491 Cb 0.05 -2.52 -0.08 0.00 0.01 0.00 0.00 42.46 39.92 1k3i s ILE 491 CO 0.14 0.50 1.36 -0.69 0.00 0.00 0.00 174.94 176.25 1k3i s VAL 492 N 0.39 3.35 -0.41 2.92 1.01 -1.26 -4.99 120.40 121.40 1k3i s VAL 492 Ca -0.07 0.99 0.02 0.00 0.00 0.00 0.00 61.98 62.93 1k3i s VAL 492 Cb -0.15 -3.64 0.12 0.00 0.00 0.00 0.00 36.38 32.72 1k3i s VAL 492 CO 0.04 0.09 0.20 -0.13 0.00 0.00 0.00 175.10 175.30 1k3i s ARG 493 N 0.84 1.27 0.00 2.72 1.81 -1.26 -4.91 118.95 119.41 1k3i s ARG 493 Ca 0.62 -1.88 0.00 0.00 -1.72 0.00 0.00 55.73 52.75 1k3i s ARG 493 Cb -0.36 -2.45 0.00 0.00 -0.45 0.00 0.00 34.95 31.68 1k3i s ARG 493 CO 0.32 -1.10 0.00 1.33 -0.68 0.00 0.00 175.30 175.17 1k3i n VAL 494 N 3.81 0.00 -1.63 3.52 0.24 -1.26 -0.24 118.33 122.76 1k3i n VAL 494 Ca 0.06 0.00 -0.49 0.00 -2.04 0.00 0.00 64.34 61.87 1k3i n VAL 494 Cb 0.36 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.68 1k3i n VAL 494 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1k3i n TYR 495 N 0.00 1.92 -1.31 6.34 9.36 -1.26 -1.68 117.16 130.53 1k3i n TYR 495 Ca 0.00 0.44 -0.03 0.00 3.32 0.00 0.00 57.90 61.63 1k3i n TYR 495 Cb 0.00 -2.44 -0.01 0.00 -0.63 0.00 0.00 39.34 36.26 1k3i n TYR 495 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1k3i n HIS 496 N 2.90 -0.03 -3.54 2.98 8.25 -1.26 -1.36 115.22 123.16 1k3i n HIS 496 Ca 0.17 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.43 1k3i n HIS 496 Cb 0.25 -1.06 -0.01 0.00 1.12 0.00 0.00 29.99 30.29 1k3i n HIS 496 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1k3i s SER 497 N -2.94 6.08 0.08 0.41 1.04 -0.67 -1.14 113.70 116.54 1k3i s SER 497 Ca 0.00 0.00 -0.03 0.00 0.48 0.00 0.00 55.95 56.40 1k3i s SER 497 Cb 0.00 -1.52 -0.03 0.00 0.10 0.00 0.00 66.02 64.57 1k3i s SER 497 CO 0.00 -0.36 0.04 0.27 0.98 0.00 0.00 173.24 174.18 1k3i s ILE 498 N -2.18 0.18 -0.06 -1.02 -5.25 0.31 -4.37 121.20 108.80 1k3i s ILE 498 Ca 0.42 -1.69 -0.07 0.00 -0.99 0.00 0.00 60.65 58.32 1k3i s ILE 498 Cb -0.09 -1.60 0.02 0.00 2.95 0.00 0.00 42.46 43.73 1k3i s ILE 498 CO 0.32 -0.80 0.18 -0.44 -1.79 0.00 0.00 174.94 172.41 1k3i s SER 499 N -2.94 -0.16 -0.03 4.36 0.01 -1.26 -1.26 113.70 112.42 1k3i s SER 499 Ca 0.10 0.28 -0.11 0.00 1.31 0.00 0.00 55.95 57.54 1k3i s SER 499 Cb 0.07 0.35 0.02 0.00 0.21 0.00 0.00 66.02 66.67 1k3i s SER 499 CO -0.07 -0.11 0.24 -0.76 0.41 0.00 0.00 173.24 172.94 1k3i s LEU 500 N -0.14 1.14 -0.06 2.44 1.43 -0.26 -4.81 118.68 118.42 1k3i s LEU 500 Ca -0.02 0.11 -0.27 0.00 -1.03 0.00 0.00 54.13 52.92 1k3i s LEU 500 Cb -0.02 0.95 -0.03 0.00 0.03 0.00 0.00 46.19 47.12 1k3i s LEU 500 CO 0.01 -0.32 0.85 -0.22 0.23 0.00 0.00 176.35 176.90 1k3i s LEU 501 N -0.93 4.31 0.36 1.79 2.96 -1.26 -1.23 118.68 124.68 1k3i s LEU 501 Ca -0.10 1.40 -0.10 0.00 -0.22 0.00 0.00 54.13 55.11 1k3i s LEU 501 Cb -0.05 -3.33 -0.06 0.00 0.50 0.00 0.00 46.19 43.24 1k3i s LEU 501 CO 0.02 -0.24 0.70 -0.76 -1.32 0.00 0.00 176.35 174.75 1k3i s LEU 502 N 1.17 3.93 0.54 -0.68 1.43 -0.12 -4.88 118.68 120.07 1k3i s LEU 502 Ca 0.44 1.04 0.23 0.00 -1.03 0.00 0.00 54.13 54.81 1k3i s LEU 502 Cb -0.19 -3.89 1.43 0.00 0.03 0.00 0.00 46.19 43.58 1k3i s LEU 502 CO 0.21 -0.31 2.09 -0.65 0.23 0.00 0.00 176.35 177.93 1k3i h PRO 503 N 1.55 0.00 0.00 1.29 0.11 -1.91 -0.56 132.00 132.48 1k3i h PRO 503 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1k3i h PRO 503 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1k3i h PRO 503 CO 0.65 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.04 1k3i n ASP 504 N -4.28 0.00 0.00 -2.05 5.68 -1.26 -0.56 116.55 114.08 1k3i n ASP 504 Ca 0.02 -1.15 0.00 0.00 -0.50 0.00 0.00 54.79 53.16 1k3i n ASP 504 Cb 0.32 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 1k3i n ASP 504 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k3i n GLY 505 N 0.90 0.70 4.01 6.12 0.00 -0.22 -4.77 105.19 111.92 1k3i n GLY 505 Ca 0.20 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 1k3i n GLY 505 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k3i s ARG 506 N -0.71 2.45 -0.08 1.61 0.52 -1.26 -4.75 118.95 116.74 1k3i s ARG 506 Ca 0.00 -1.27 0.01 0.00 -0.52 0.00 0.00 55.73 53.96 1k3i s ARG 506 Cb 0.00 -2.62 -0.02 0.00 0.52 0.00 0.00 34.95 32.83 1k3i s ARG 506 CO 0.00 -0.70 -0.11 0.08 0.02 0.00 0.00 175.30 174.58 1k3i s VAL 507 N -2.64 3.30 -0.31 3.52 1.01 -0.43 -0.95 120.40 123.91 1k3i s VAL 507 Ca 0.59 -0.61 -0.08 0.00 0.00 0.00 0.00 61.98 61.87 1k3i s VAL 507 Cb -0.08 -2.34 0.01 0.00 0.00 0.00 0.00 36.38 33.97 1k3i s VAL 507 CO 0.37 0.57 0.12 0.12 0.00 0.00 0.00 175.10 176.29 1k3i s PHE 508 N -0.43 3.17 -0.11 5.22 5.36 -0.36 -0.86 117.98 129.97 1k3i s PHE 508 Ca 0.06 -0.85 0.02 0.00 -0.96 0.00 0.00 56.93 55.20 1k3i s PHE 508 Cb -0.12 -2.31 0.01 0.00 -0.34 0.00 0.00 43.02 40.26 1k3i s PHE 508 CO 0.02 -0.55 -0.18 1.21 -1.46 0.00 0.00 175.22 174.26 1k3i s ASN 509 N 1.54 2.62 0.00 6.13 2.47 -0.56 -1.10 114.94 126.04 1k3i s ASN 509 Ca 0.03 -0.47 0.00 0.00 0.42 0.00 0.00 52.86 52.84 1k3i s ASN 509 Cb -0.17 -1.19 0.00 0.00 -1.45 0.00 0.00 41.25 38.43 1k3i s ASN 509 CO 0.04 0.06 0.00 0.61 -3.72 0.00 0.00 177.10 174.09 1k3i n GLY 510 N 4.01 1.79 7.00 1.21 0.00 -0.39 0.08 105.19 118.89 1k3i n GLY 510 Ca -0.20 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1k3i n GLY 510 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k3i n GLY 511 N 0.00 -1.66 0.00 -0.02 0.00 -0.70 -0.53 105.19 102.28 1k3i n GLY 511 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1k3i n GLY 511 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k3i n GLY 512 N 0.00 3.21 0.00 -0.02 0.00 -0.30 -4.59 105.19 103.49 1k3i n GLY 512 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1k3i n GLY 512 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k3i n GLY 513 N 0.97 0.71 1.43 -0.02 0.00 -0.47 -1.29 105.19 106.53 1k3i n GLY 513 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1k3i n GLY 513 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1k3i n LEU 514 N 0.00 -1.91 -2.64 0.99 7.94 -1.26 -4.74 117.00 115.38 1k3i n LEU 514 Ca 0.00 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.81 1k3i n LEU 514 Cb 0.00 -0.61 0.03 0.00 0.53 0.00 0.00 43.42 43.37 1k3i n LEU 514 CO 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 177.39 176.27 1k3i n GLY 516 N -0.37 3.59 0.56 0.00 0.00 -1.24 -2.35 105.19 105.38 1k3i n GLY 516 Ca 0.15 0.07 0.04 0.00 0.00 0.00 0.00 46.02 46.28 1k3i n GLY 516 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1k3i n ASP 517 N 9.38 1.62 -4.68 1.61 2.03 -1.26 -2.32 116.55 122.93 1k3i n ASP 517 Ca 0.00 -2.04 -0.30 0.00 0.52 0.00 0.00 54.79 52.97 1k3i n ASP 517 Cb 0.00 -0.23 0.16 0.00 -0.72 0.00 0.00 41.12 40.33 1k3i n ASP 517 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1k3i n THR 519 N -4.10 0.68 -1.36 0.00 -2.24 -1.26 -4.35 114.28 101.65 1k3i n THR 519 Ca 0.09 -0.64 0.05 0.00 -2.27 0.00 0.00 64.05 61.28 1k3i n THR 519 Cb 0.53 0.28 0.19 0.00 -2.10 0.00 0.00 70.33 69.23 1k3i n THR 519 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1k3i n THR 520 N 0.84 2.21 -2.99 4.28 -2.24 -1.26 -4.46 114.28 110.66 1k3i n THR 520 Ca 0.16 -2.73 -0.43 0.00 -2.27 0.00 0.00 64.05 58.78 1k3i n THR 520 Cb 0.42 -0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 68.33 1k3i n THR 520 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1k3i s ASN 521 N -2.84 6.37 -0.54 3.42 0.01 -1.26 -3.66 114.94 116.44 1k3i s ASN 521 Ca 0.38 -0.24 -0.20 0.00 -0.71 0.00 0.00 52.86 52.09 1k3i s ASN 521 Cb 0.35 -2.37 0.06 0.00 0.41 0.00 0.00 41.25 39.70 1k3i s ASN 521 CO -0.01 -0.93 0.73 -1.00 -1.51 0.00 0.00 177.10 174.38 1k3i s HIS 522 N 3.24 2.96 -0.27 2.20 3.76 -0.41 -0.69 115.29 126.08 1k3i s HIS 522 Ca 0.28 -0.51 -0.05 0.00 -0.15 0.00 0.00 55.06 54.63 1k3i s HIS 522 Cb -0.13 -3.77 -0.11 0.00 1.11 0.00 0.00 32.58 29.67 1k3i s HIS 522 CO 0.21 -1.18 3.21 1.19 -0.85 0.00 0.00 174.74 177.32 1k3i n PHE 523 N 6.57 0.82 -3.85 1.40 3.01 -1.26 -4.23 117.46 119.91 1k3i n PHE 523 Ca -0.05 -1.77 -0.06 0.00 1.01 0.00 0.00 57.45 56.59 1k3i n PHE 523 Cb 0.45 -1.54 0.02 0.00 -0.01 0.00 0.00 39.48 38.41 1k3i n PHE 523 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 1k3i s ASP 524 N 1.25 0.02 0.16 4.37 1.47 -1.26 -1.13 116.67 121.55 1k3i s ASP 524 Ca 0.63 -0.91 -0.12 0.00 1.18 0.00 0.00 52.55 53.33 1k3i s ASP 524 Cb 0.34 0.66 0.01 0.00 -0.34 0.00 0.00 42.92 43.59 1k3i s ASP 524 CO -0.10 -1.32 0.37 0.00 0.68 0.00 0.00 175.17 174.79 1k3i s ALA 525 N -2.15 -0.42 0.07 2.11 0.00 -0.69 -1.72 121.76 118.96 1k3i s ALA 525 Ca 0.19 -0.57 0.03 0.00 0.00 0.00 0.00 51.96 51.62 1k3i s ALA 525 Cb -0.04 0.81 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 1k3i s ALA 525 CO 0.08 -0.69 -0.09 -0.65 0.00 0.00 0.00 175.76 174.42 1k3i s GLN 526 N -3.91 0.67 -0.13 0.00 -0.21 0.11 -0.25 119.66 115.95 1k3i s GLN 526 Ca 0.12 -0.96 -0.10 0.00 0.02 0.00 0.00 55.36 54.44 1k3i s GLN 526 Cb 0.02 -0.37 -0.05 0.00 1.00 0.00 0.00 33.01 33.61 1k3i s GLN 526 CO -0.03 0.06 0.19 0.42 -2.12 0.00 0.00 175.29 173.81 1k3i s ILE 527 N -1.99 5.40 -0.16 1.08 -1.09 -1.03 -1.50 121.20 121.90 1k3i s ILE 527 Ca -0.02 0.34 -0.01 0.00 -2.23 0.00 0.00 60.65 58.73 1k3i s ILE 527 Cb -0.06 -3.49 -0.01 0.00 -1.58 0.00 0.00 42.46 37.33 1k3i s ILE 527 CO -0.00 0.54 -0.12 0.12 -1.23 0.00 0.00 174.94 174.25 1k3i s PHE 528 N -0.53 2.84 -0.34 3.97 5.36 -0.04 -0.50 117.98 128.74 1k3i s PHE 528 Ca 0.15 -0.92 -0.10 0.00 -0.96 0.00 0.00 56.93 55.10 1k3i s PHE 528 Cb -0.13 -1.93 0.01 0.00 -0.34 0.00 0.00 43.02 40.64 1k3i s PHE 528 CO 0.04 -0.42 0.17 0.99 -1.46 0.00 0.00 175.22 174.53 1k3i s THR 529 N 0.85 4.49 0.75 0.12 2.01 0.19 -1.31 115.64 122.73 1k3i s THR 529 Ca -0.04 -0.67 -0.14 0.00 0.31 0.00 0.00 61.69 61.16 1k3i s THR 529 Cb -0.15 -3.40 0.05 0.00 0.01 0.00 0.00 72.50 69.02 1k3i s THR 529 CO 0.00 -0.07 1.16 -2.84 -0.69 0.00 0.00 174.62 172.18 1k3i s PRO 530 N 1.57 2.09 0.55 4.92 0.02 -1.26 -1.63 135.00 141.26 1k3i s PRO 530 Ca 0.03 1.58 0.25 0.00 0.02 0.00 0.00 61.00 62.88 1k3i s PRO 530 Cb -0.18 -1.85 1.47 0.00 0.02 0.00 0.00 34.50 33.96 1k3i s PRO 530 CO 0.06 -1.84 2.05 -0.97 -0.33 0.00 0.00 177.00 175.97 1k3i h ASN 531 N -0.61 0.00 0.19 2.53 -1.24 -1.89 -1.92 115.58 112.65 1k3i h ASN 531 Ca -0.46 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.55 1k3i h ASN 531 Cb 1.27 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.32 1k3i h ASN 531 CO 0.49 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.63 1k3i n TYR 532 N -4.16 0.00 1.01 0.67 0.18 -1.26 -1.45 117.16 112.15 1k3i n TYR 532 Ca 0.05 0.00 0.12 0.00 1.88 0.00 0.00 57.90 59.95 1k3i n TYR 532 Cb 0.44 -0.45 0.09 0.00 -0.38 0.00 0.00 39.34 39.04 1k3i n TYR 532 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1k3i n LEU 533 N -1.45 2.78 -4.49 -3.48 4.77 -0.72 -4.45 117.00 109.96 1k3i n LEU 533 Ca 0.02 -0.94 -0.30 0.00 -0.03 0.00 0.00 56.01 54.76 1k3i n LEU 533 Cb 0.07 -0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.04 1k3i n LEU 533 CO 0.06 0.47 -0.48 -0.31 -1.33 0.00 0.00 177.39 175.80 1k3i s TYR 534 N -2.10 2.58 0.65 -1.77 2.02 -0.53 -0.60 117.35 117.61 1k3i s TYR 534 Ca 0.26 -0.24 0.04 0.00 -0.37 0.00 0.00 57.07 56.76 1k3i s TYR 534 Cb 0.20 -1.42 0.11 0.00 -0.40 0.00 0.00 41.96 40.44 1k3i s TYR 534 CO 0.36 0.33 0.90 0.54 -1.57 0.00 0.00 175.55 176.10 1k3i s ASN 535 N -1.78 4.70 0.58 2.29 2.20 -0.16 -4.66 114.94 118.12 1k3i s ASN 535 Ca 0.17 -0.55 0.33 0.00 -0.94 0.00 0.00 52.86 51.87 1k3i s ASN 535 Cb -0.11 0.07 1.79 0.00 -2.00 0.00 0.00 41.25 41.00 1k3i s ASN 535 CO 0.08 -1.61 2.19 0.77 -2.94 0.00 0.00 177.10 175.59 1k3i h SER 536 N -0.20 0.00 1.52 3.54 4.64 -1.98 -1.93 113.55 119.14 1k3i h SER 536 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1k3i h SER 536 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1k3i h SER 536 CO 0.41 0.05 0.00 0.78 -0.87 0.00 0.00 176.83 177.19 1k3i h ASN 537 N 0.00 0.00 0.00 4.97 -0.26 -2.02 -3.47 115.58 114.80 1k3i h ASN 537 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1k3i h ASN 537 Cb 0.17 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.43 1k3i h ASN 537 CO 0.01 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 176.99 1k3i n GLY 538 N 0.93 0.41 3.96 2.83 0.00 -0.72 -5.08 105.19 107.51 1k3i n GLY 538 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 1k3i n GLY 538 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k3i s ASN 539 N -2.57 5.53 0.12 1.61 0.01 -1.26 -4.82 114.94 113.56 1k3i s ASN 539 Ca 0.00 0.13 -0.31 0.00 -0.71 0.00 0.00 52.86 51.97 1k3i s ASN 539 Cb 0.00 -1.18 -0.09 0.00 0.41 0.00 0.00 41.25 40.39 1k3i s ASN 539 CO 0.00 -0.95 1.51 -0.76 -1.51 0.00 0.00 177.10 175.39 1k3i s LEU 540 N -4.67 4.37 0.63 0.60 1.43 -1.26 -0.99 118.68 118.77 1k3i s LEU 540 Ca 0.53 2.46 -0.15 0.00 -1.03 0.00 0.00 54.13 55.95 1k3i s LEU 540 Cb -0.10 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.52 1k3i s LEU 540 CO 0.38 -0.77 1.08 0.00 0.23 0.00 0.00 176.35 177.27 1k3i s ALA 541 N 1.44 2.63 0.09 4.21 0.00 0.23 -4.73 121.76 125.63 1k3i s ALA 541 Ca 0.68 0.41 -0.31 0.00 0.00 0.00 0.00 51.96 52.75 1k3i s ALA 541 Cb -0.40 -3.26 -0.07 0.00 0.00 0.00 0.00 23.12 19.40 1k3i s ALA 541 CO 0.31 -1.02 1.31 0.99 0.00 0.00 0.00 175.76 177.35 1k3i s THR 542 N -2.48 3.61 0.00 0.00 2.01 -1.26 -4.93 115.64 112.60 1k3i s THR 542 Ca 0.64 1.15 0.01 0.00 0.31 0.00 0.00 61.69 63.80 1k3i s THR 542 Cb -0.17 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 1k3i s THR 542 CO 0.40 0.08 0.04 -0.13 -0.69 0.00 0.00 174.62 174.33 1k3i s ARG 543 N 1.15 2.91 0.66 4.92 0.52 -1.26 -4.95 118.95 122.91 1k3i s ARG 543 Ca 0.62 -0.56 -0.15 0.00 -0.52 0.00 0.00 55.73 55.12 1k3i s ARG 543 Cb -0.34 -2.75 0.00 0.00 0.52 0.00 0.00 34.95 32.38 1k3i s ARG 543 CO 0.30 0.63 1.13 -1.25 0.02 0.00 0.00 175.30 176.12 1k3i s PRO 544 N -1.68 2.75 -0.03 3.54 0.04 -1.26 -4.97 135.00 133.38 1k3i s PRO 544 Ca 0.21 1.46 0.04 0.00 0.04 0.00 0.00 61.00 62.76 1k3i s PRO 544 Cb -0.12 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 1k3i s PRO 544 CO 0.12 -1.30 -0.16 0.15 0.04 0.00 0.00 177.00 175.85 1k3i s LYS 545 N -4.00 1.54 -0.42 4.56 1.02 -1.26 -4.20 119.74 116.97 1k3i s LYS 545 Ca 0.68 -0.57 -0.20 0.00 0.02 0.00 0.00 55.97 55.90 1k3i s LYS 545 Cb -0.22 -1.39 0.02 0.00 -0.52 0.00 0.00 37.83 35.72 1k3i s LYS 545 CO 0.41 0.27 0.62 0.42 -0.92 0.00 0.00 175.35 176.14 1k3i s ILE 546 N -0.09 4.86 -0.65 2.17 1.01 -1.26 -1.67 121.20 125.57 1k3i s ILE 546 Ca -0.00 0.13 0.24 0.00 0.00 0.00 0.00 60.65 61.01 1k3i s ILE 546 Cb -0.09 -4.17 0.04 0.00 0.01 0.00 0.00 42.46 38.25 1k3i s ILE 546 CO 0.01 -0.54 1.31 0.35 0.00 0.00 0.00 174.94 176.07 1k3i n THR 547 N 5.77 0.34 -3.59 2.92 -2.24 0.24 -4.95 114.28 112.78 1k3i n THR 547 Ca -0.02 -0.27 -0.12 0.00 -2.27 0.00 0.00 64.05 61.37 1k3i n THR 547 Cb 0.48 -0.10 -0.06 0.00 -2.10 0.00 0.00 70.33 68.55 1k3i n THR 547 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1k3i s ARG 548 N -3.16 0.70 -0.03 -0.78 3.52 -1.17 -4.95 118.95 113.08 1k3i s ARG 548 Ca 0.06 0.39 0.02 0.00 -0.13 0.00 0.00 55.73 56.08 1k3i s ARG 548 Cb 0.14 0.33 0.00 0.00 -1.56 0.00 0.00 34.95 33.86 1k3i s ARG 548 CO 0.72 -0.17 -0.09 0.95 -0.81 0.00 0.00 175.30 175.90 1k3i s THR 549 N -0.59 0.80 0.39 4.11 -4.23 -1.26 -1.43 115.64 113.42 1k3i s THR 549 Ca -0.02 -0.37 0.23 0.00 -1.18 0.00 0.00 61.69 60.35 1k3i s THR 549 Cb -0.02 -0.71 0.24 0.00 1.34 0.00 0.00 72.50 73.35 1k3i s THR 549 CO 0.01 0.25 2.00 0.77 -0.54 0.00 0.00 174.62 177.11 1k3i h SER 550 N 6.40 0.00 -4.96 3.99 4.64 -1.15 -3.45 113.55 119.02 1k3i h SER 550 Ca -0.33 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.02 1k3i h SER 550 Cb 1.17 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.15 1k3i h SER 550 CO 0.49 0.18 0.27 0.28 -0.87 0.00 0.00 176.83 177.18 1k3i s THR 551 N -4.21 0.00 -0.56 2.95 -1.32 -1.26 -5.00 115.64 106.24 1k3i s THR 551 Ca -0.03 -0.21 0.05 0.00 -1.21 0.00 0.00 61.69 60.29 1k3i s THR 551 Cb 0.13 -1.23 0.07 0.00 -1.51 0.00 0.00 72.50 69.97 1k3i s THR 551 CO 0.63 0.00 0.82 0.00 -2.21 0.00 0.00 174.62 173.85 1k3i n GLN 552 N -0.38 0.81 -3.79 7.08 3.00 -1.26 -4.96 117.38 117.88 1k3i n GLN 552 Ca -0.13 -1.13 -0.14 0.00 -0.01 0.00 0.00 57.00 55.60 1k3i n GLN 552 Cb 0.63 -1.11 -0.15 0.00 0.00 0.00 0.00 30.24 29.61 1k3i n GLN 552 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1k3i s SER 553 N -0.62 0.03 -0.03 1.08 0.15 -1.26 -0.69 113.70 112.36 1k3i s SER 553 Ca 0.07 0.07 -0.10 0.00 0.70 0.00 0.00 55.95 56.69 1k3i s SER 553 Cb 0.05 -0.02 0.01 0.00 -1.71 0.00 0.00 66.02 64.35 1k3i s SER 553 CO 0.07 -0.10 0.23 0.54 1.20 0.00 0.00 173.24 175.17 1k3i s VAL 554 N 0.85 0.05 0.43 4.45 0.11 0.02 -4.95 120.40 121.37 1k3i s VAL 554 Ca -0.07 -0.44 -0.15 0.00 -2.93 0.00 0.00 61.98 58.39 1k3i s VAL 554 Cb -0.10 -0.48 -0.08 0.00 -1.53 0.00 0.00 36.38 34.19 1k3i s VAL 554 CO -0.03 -0.24 0.87 -0.54 -3.33 0.00 0.00 175.10 171.83 1k3i s LYS 555 N -0.98 3.96 0.35 1.54 1.02 -1.26 -0.78 119.74 123.59 1k3i s LYS 555 Ca -0.11 0.78 -0.28 0.00 0.02 0.00 0.00 55.97 56.39 1k3i s LYS 555 Cb -0.05 -2.28 -0.12 0.00 -0.52 0.00 0.00 37.83 34.86 1k3i s LYS 555 CO 0.02 -0.08 1.31 1.33 -0.92 0.00 0.00 175.35 177.02 1k3i n VAL 556 N -1.10 2.06 0.00 3.17 0.24 0.11 -0.39 118.33 122.43 1k3i n VAL 556 Ca 0.05 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 1k3i n VAL 556 Cb 0.54 -1.62 0.00 0.00 -1.47 0.00 0.00 33.84 31.29 1k3i n VAL 556 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1k3i n GLY 557 N 0.73 2.04 3.84 7.63 0.00 -0.16 -4.79 105.19 114.48 1k3i n GLY 557 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1k3i n GLY 557 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1k3i s GLY 558 N -1.99 1.64 0.05 -0.02 0.00 0.48 -4.56 107.32 102.91 1k3i s GLY 558 Ca 0.00 -0.79 0.09 0.00 0.00 0.00 0.00 44.72 44.02 1k3i s GLY 558 CO 0.00 -0.16 -0.24 -1.60 0.00 0.00 0.00 173.10 171.10 1k3i s ARG 559 N -5.55 1.86 -0.02 2.90 3.52 -1.26 -0.72 118.95 119.68 1k3i s ARG 559 Ca 0.67 -1.09 0.03 0.00 -0.13 0.00 0.00 55.73 55.21 1k3i s ARG 559 Cb -0.10 -2.04 -0.00 0.00 -1.56 0.00 0.00 34.95 31.24 1k3i s ARG 559 CO 0.52 0.52 -0.12 0.42 -0.81 0.00 0.00 175.30 175.83 1k3i s ILE 560 N -0.86 1.00 -0.07 4.11 1.01 -0.64 -4.98 121.20 120.76 1k3i s ILE 560 Ca 0.13 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.30 1k3i s ILE 560 Cb -0.10 -0.85 -0.02 0.00 0.01 0.00 0.00 42.46 41.50 1k3i s ILE 560 CO 0.03 0.29 -0.16 -0.89 0.00 0.00 0.00 174.94 174.21 1k3i s THR 561 N -0.07 2.84 0.22 2.92 2.01 -1.26 -1.46 115.64 120.83 1k3i s THR 561 Ca 0.01 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.25 1k3i s THR 561 Cb -0.07 -2.12 -0.05 0.00 0.01 0.00 0.00 72.50 70.27 1k3i s THR 561 CO 0.00 0.57 0.01 0.27 -0.69 0.00 0.00 174.62 174.78 1k3i s ILE 562 N -0.31 0.94 0.00 1.82 -4.36 0.12 -0.45 121.20 118.95 1k3i s ILE 562 Ca 0.02 -2.02 0.06 0.00 -0.26 0.00 0.00 60.65 58.45 1k3i s ILE 562 Cb -0.13 -2.33 -0.02 0.00 1.25 0.00 0.00 42.46 41.24 1k3i s ILE 562 CO 0.03 -0.32 -0.18 -0.44 0.24 0.00 0.00 174.94 174.27 1k3i s SER 563 N -3.28 2.07 0.29 4.36 0.01 -0.51 -1.18 113.70 115.45 1k3i s SER 563 Ca 0.28 -0.37 0.07 0.00 1.31 0.00 0.00 55.95 57.25 1k3i s SER 563 Cb 0.06 -0.21 -0.06 0.00 0.21 0.00 0.00 66.02 66.02 1k3i s SER 563 CO 0.08 0.18 -0.07 0.42 0.41 0.00 0.00 173.24 174.26 1k3i s THR 564 N -0.53 1.81 -0.30 1.44 -4.23 -0.56 -0.59 115.64 112.67 1k3i s THR 564 Ca 0.06 -2.15 0.19 0.00 -1.18 0.00 0.00 61.69 58.61 1k3i s THR 564 Cb -0.07 -2.48 0.19 0.00 1.34 0.00 0.00 72.50 71.47 1k3i s THR 564 CO 0.00 -0.28 1.49 -2.24 -0.54 0.00 0.00 174.62 173.04 1k3i h ASP 565 N 2.22 0.00 -5.40 3.99 2.03 -1.65 -3.45 116.42 114.17 1k3i h ASP 565 Ca -0.40 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 55.73 1k3i h ASP 565 Cb 1.24 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 39.64 1k3i h ASP 565 CO 0.68 0.23 -0.23 -0.94 -1.03 0.00 0.00 179.24 177.95 1k3i s SER 566 N -6.26 0.29 0.42 4.15 1.04 -1.26 -5.04 113.70 107.04 1k3i s SER 566 Ca 0.05 -1.20 -0.25 0.00 0.48 0.00 0.00 55.95 55.02 1k3i s SER 566 Cb 0.06 0.58 -0.08 0.00 0.10 0.00 0.00 66.02 66.68 1k3i s SER 566 CO 0.71 -1.15 1.27 -0.94 0.98 0.00 0.00 173.24 174.12 1k3i s SER 567 N -3.12 6.27 0.30 7.02 1.04 -1.26 -4.94 113.70 119.02 1k3i s SER 567 Ca 0.28 2.58 0.10 0.00 0.48 0.00 0.00 55.95 59.39 1k3i s SER 567 Cb 0.01 -2.63 -0.06 0.00 0.10 0.00 0.00 66.02 63.44 1k3i s SER 567 CO 0.13 -0.87 -0.12 0.27 0.98 0.00 0.00 173.24 173.64 1k3i s ILE 568 N -1.31 2.16 -0.02 -1.02 -4.36 -1.26 -4.71 121.20 110.67 1k3i s ILE 568 Ca 0.58 -2.25 0.03 0.00 -0.26 0.00 0.00 60.65 58.75 1k3i s ILE 568 Cb -0.36 -2.47 -0.04 0.00 1.25 0.00 0.00 42.46 40.84 1k3i s ILE 568 CO 0.46 -0.30 0.03 -1.54 0.24 0.00 0.00 174.94 173.83 1k3i n SER 569 N -0.68 4.31 -3.91 4.36 3.41 0.17 -4.90 113.62 116.38 1k3i n SER 569 Ca -0.05 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.46 1k3i n SER 569 Cb 0.62 0.80 -0.06 0.00 -0.26 0.00 0.00 64.21 65.31 1k3i n SER 569 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1k3i s LYS 570 N -2.13 1.22 0.01 4.33 1.02 -1.10 -5.03 119.74 118.07 1k3i s LYS 570 Ca -0.01 -1.11 -0.18 0.00 0.02 0.00 0.00 55.97 54.69 1k3i s LYS 570 Cb 0.01 0.41 0.03 0.00 -0.52 0.00 0.00 37.83 37.77 1k3i s LYS 570 CO 0.12 -0.47 0.40 0.00 -0.92 0.00 0.00 175.35 174.48 1k3i s ALA 571 N -3.95 -0.99 0.09 5.17 0.00 -1.26 -0.81 121.76 120.01 1k3i s ALA 571 Ca 0.16 0.42 -0.11 0.00 0.00 0.00 0.00 51.96 52.42 1k3i s ALA 571 Cb 0.02 0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.35 1k3i s ALA 571 CO -0.00 -0.37 0.25 -1.54 0.00 0.00 0.00 175.76 174.10 1k3i s SER 572 N -1.64 0.01 -0.14 0.00 1.04 -0.08 -1.22 113.70 111.67 1k3i s SER 572 Ca -0.09 -0.52 0.02 0.00 0.48 0.00 0.00 55.95 55.84 1k3i s SER 572 Cb -0.02 0.37 0.01 0.00 0.10 0.00 0.00 66.02 66.47 1k3i s SER 572 CO 0.02 -0.74 -0.21 -0.76 0.98 0.00 0.00 173.24 172.53 1k3i s LEU 573 N -2.74 2.18 -0.15 2.42 1.43 -0.21 -1.22 118.68 120.40 1k3i s LEU 573 Ca 0.03 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 52.57 1k3i s LEU 573 Cb 0.03 -1.46 0.02 0.00 0.03 0.00 0.00 46.19 44.81 1k3i s LEU 573 CO -0.10 0.09 -0.18 -0.63 0.23 0.00 0.00 176.35 175.76 1k3i s ILE 574 N 0.75 1.83 0.23 -0.59 1.01 0.01 -0.36 121.20 124.07 1k3i s ILE 574 Ca -0.08 -0.81 -0.30 0.00 0.00 0.00 0.00 60.65 59.46 1k3i s ILE 574 Cb -0.16 -1.67 -0.09 0.00 0.01 0.00 0.00 42.46 40.55 1k3i s ILE 574 CO -0.00 0.50 1.28 -0.60 0.00 0.00 0.00 174.94 176.13 1k3i s ARG 575 N 1.23 4.41 0.32 2.79 3.52 -0.47 0.25 118.95 131.01 1k3i s ARG 575 Ca 0.01 2.05 -0.29 0.00 -0.13 0.00 0.00 55.73 57.37 1k3i s ARG 575 Cb -0.14 -3.18 -0.12 0.00 -1.56 0.00 0.00 34.95 29.96 1k3i s ARG 575 CO -0.09 -0.19 1.39 0.66 -0.81 0.00 0.00 175.30 176.26 1k3i n TYR 576 N 2.18 2.47 -3.60 5.12 4.01 -0.69 -4.16 117.16 122.49 1k3i n TYR 576 Ca 0.04 0.47 -0.21 0.00 -0.16 0.00 0.00 57.90 58.04 1k3i n TYR 576 Cb 0.43 -2.47 -0.03 0.00 -0.31 0.00 0.00 39.34 36.96 1k3i n TYR 576 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1k3i s GLY 577 N -0.04 2.08 0.04 2.72 0.00 -1.26 -4.17 107.32 106.69 1k3i s GLY 577 Ca 0.59 -1.85 0.00 0.00 0.00 0.00 0.00 44.72 43.47 1k3i s GLY 577 CO 0.58 -1.68 -0.05 -0.51 0.00 0.00 0.00 173.10 171.45 1k3i s THR 578 N -2.44 0.31 -0.14 0.90 -4.23 -1.26 -2.25 115.64 106.53 1k3i s THR 578 Ca 0.47 -1.30 -0.23 0.00 -1.18 0.00 0.00 61.69 59.44 1k3i s THR 578 Cb -0.04 -0.84 0.06 0.00 1.34 0.00 0.00 72.50 73.02 1k3i s THR 578 CO 0.28 -0.65 0.58 0.00 -0.54 0.00 0.00 174.62 174.29 1k3i s ALA 579 N -2.33 -1.47 -0.28 3.99 0.00 0.43 -4.30 121.76 117.80 1k3i s ALA 579 Ca -0.05 1.36 -0.27 0.00 0.00 0.00 0.00 51.96 53.01 1k3i s ALA 579 Cb -0.04 -0.51 0.17 0.00 0.00 0.00 0.00 23.12 22.75 1k3i s ALA 579 CO -0.03 -0.31 1.31 -0.08 0.00 0.00 0.00 175.76 176.65 1k3i s THR 580 N -0.42 0.00 -1.22 0.00 -1.32 -1.04 -1.40 115.64 110.24 1k3i s THR 580 Ca -0.06 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.40 1k3i s THR 580 Cb -0.03 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.98 1k3i s THR 580 CO 0.04 0.00 0.19 1.41 -2.21 0.00 0.00 174.62 174.05 1k3i n HIS 581 N 1.33 -1.54 -0.42 9.09 8.25 -1.26 -0.99 115.22 129.68 1k3i n HIS 581 Ca -0.08 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1k3i n HIS 581 Cb 0.57 -3.08 0.00 0.00 1.12 0.00 0.00 29.99 28.60 1k3i n HIS 581 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1k3i n THR 582 N -3.69 0.00 -3.48 1.59 -2.24 -1.26 -4.95 114.28 100.25 1k3i n THR 582 Ca -0.12 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.29 1k3i n THR 582 Cb 0.60 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.77 1k3i n THR 582 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1k3i s VAL 583 N -3.31 5.19 -0.38 2.28 1.01 -0.17 -4.81 120.40 120.21 1k3i s VAL 583 Ca 0.00 0.74 0.04 0.00 0.00 0.00 0.00 61.98 62.76 1k3i s VAL 583 Cb 0.00 -3.70 0.16 0.00 0.00 0.00 0.00 36.38 32.84 1k3i s VAL 583 CO 0.00 0.44 0.41 0.21 0.00 0.00 0.00 175.10 176.16 1k3i s ASN 584 N -0.04 0.83 0.00 3.32 3.84 -1.26 -2.51 114.94 119.12 1k3i s ASN 584 Ca 0.21 -1.54 0.27 0.00 0.21 0.00 0.00 52.86 52.01 1k3i s ASN 584 Cb -0.15 0.72 0.96 0.00 -0.55 0.00 0.00 41.25 42.23 1k3i s ASN 584 CO 0.09 -0.24 1.69 0.35 -2.79 0.00 0.00 177.10 176.20 1k3i n THR 585 N 4.20 0.04 -0.04 -5.21 -2.24 -1.26 -4.19 114.28 105.57 1k3i n THR 585 Ca 0.12 -0.28 -0.15 0.00 -2.27 0.00 0.00 64.05 61.47 1k3i n THR 585 Cb 0.46 0.52 -0.14 0.00 -2.10 0.00 0.00 70.33 69.07 1k3i n THR 585 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1k3i n ASP 586 N 0.26 1.34 -4.79 3.42 8.00 -1.26 -4.67 116.55 118.85 1k3i n ASP 586 Ca 0.18 0.18 -0.34 0.00 0.71 0.00 0.00 54.79 55.53 1k3i n ASP 586 Cb 0.36 -0.22 -0.00 0.00 -0.02 0.00 0.00 41.12 41.24 1k3i n ASP 586 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k3i s GLN 587 N -2.55 3.42 -0.30 -1.24 -2.07 -1.26 -4.62 119.66 111.04 1k3i s GLN 587 Ca -0.17 1.38 -0.36 0.00 -1.82 0.00 0.00 55.36 54.39 1k3i s GLN 587 Cb 0.07 -2.04 0.17 0.00 -1.09 0.00 0.00 33.01 30.13 1k3i s GLN 587 CO 0.77 -0.75 1.39 -0.98 -1.32 0.00 0.00 175.29 174.40 1k3i s ARG 588 N -3.62 0.02 -0.02 9.60 1.70 -1.26 -4.67 118.95 120.70 1k3i s ARG 588 Ca 0.67 -0.00 0.06 0.00 -0.47 0.00 0.00 55.73 55.99 1k3i s ARG 588 Cb -0.19 0.01 -0.01 0.00 -0.57 0.00 0.00 34.95 34.19 1k3i s ARG 588 CO 0.30 -0.01 -0.20 0.50 -1.08 0.00 0.00 175.30 174.81 1k3i s ARG 589 N -1.69 1.66 -0.21 3.89 3.52 -0.88 -1.36 118.95 123.88 1k3i s ARG 589 Ca 0.11 -0.70 0.01 0.00 -0.13 0.00 0.00 55.73 55.02 1k3i s ARG 589 Cb -0.01 -1.58 0.03 0.00 -1.56 0.00 0.00 34.95 31.83 1k3i s ARG 589 CO -0.04 0.40 -0.16 0.42 -0.81 0.00 0.00 175.30 175.11 1k3i s ILE 590 N -0.39 2.22 0.01 4.11 1.01 0.51 -0.58 121.20 128.08 1k3i s ILE 590 Ca 0.06 -1.13 -0.30 0.00 0.00 0.00 0.00 60.65 59.28 1k3i s ILE 590 Cb -0.08 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 1k3i s ILE 590 CO -0.00 0.34 1.12 -2.84 0.00 0.00 0.00 174.94 173.56 1k3i s PRO 591 N 1.25 4.45 0.02 2.79 0.02 -1.26 -1.04 135.00 141.23 1k3i s PRO 591 Ca 0.01 1.62 -0.15 0.00 0.02 0.00 0.00 61.00 62.50 1k3i s PRO 591 Cb -0.15 -3.43 -0.06 0.00 0.02 0.00 0.00 34.50 30.87 1k3i s PRO 591 CO -0.10 -0.24 0.44 -0.51 -0.33 0.00 0.00 177.00 176.27 1k3i s LEU 592 N 1.34 4.48 -0.41 -5.54 1.43 -0.36 -4.96 118.68 114.66 1k3i s LEU 592 Ca 0.55 1.02 -0.21 0.00 -1.03 0.00 0.00 54.13 54.47 1k3i s LEU 592 Cb -0.25 -2.69 0.02 0.00 0.03 0.00 0.00 46.19 43.30 1k3i s LEU 592 CO 0.27 0.30 0.64 -0.89 0.23 0.00 0.00 176.35 176.89 1k3i s THR 593 N -1.12 4.85 0.38 5.49 2.01 -1.26 -4.52 115.64 121.48 1k3i s THR 593 Ca 0.26 0.27 -0.08 0.00 0.31 0.00 0.00 61.69 62.45 1k3i s THR 593 Cb -0.17 -4.16 -0.05 0.00 0.01 0.00 0.00 72.50 68.13 1k3i s THR 593 CO 0.15 -0.50 0.70 -0.76 -0.69 0.00 0.00 174.62 173.52 1k3i s LEU 594 N 2.78 3.87 -0.12 4.42 1.43 -1.26 -4.22 118.68 125.57 1k3i s LEU 594 Ca 0.23 0.95 0.01 0.00 -1.03 0.00 0.00 54.13 54.29 1k3i s LEU 594 Cb -0.14 -3.83 0.02 0.00 0.03 0.00 0.00 46.19 42.27 1k3i s LEU 594 CO 0.18 -0.37 -0.12 -0.89 0.23 0.00 0.00 176.35 175.38 1k3i s THR 595 N -2.35 1.34 -0.32 5.49 2.01 -0.33 -4.98 115.64 116.51 1k3i s THR 595 Ca 0.48 -0.51 -0.21 0.00 0.31 0.00 0.00 61.69 61.76 1k3i s THR 595 Cb -0.10 -1.28 -0.00 0.00 0.01 0.00 0.00 72.50 71.13 1k3i s THR 595 CO 0.33 0.42 0.68 0.21 -0.69 0.00 0.00 174.62 175.57 1k3i s ASN 596 N 1.37 6.52 0.00 3.53 3.84 -1.26 -1.90 114.94 127.04 1k3i s ASN 596 Ca 0.01 0.41 0.25 0.00 0.21 0.00 0.00 52.86 53.74 1k3i s ASN 596 Cb -0.13 -2.35 0.42 0.00 -0.55 0.00 0.00 41.25 38.63 1k3i s ASN 596 CO -0.07 -0.55 1.35 0.59 -2.79 0.00 0.00 177.10 175.64 1k3i n ASN 597 N 6.03 1.26 0.00 -4.21 3.02 0.19 -5.02 115.26 116.52 1k3i n ASN 597 Ca 0.00 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 1k3i n ASN 597 Cb 0.49 0.32 0.00 0.00 -0.61 0.00 0.00 39.78 39.98 1k3i n ASN 597 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k3i n GLY 598 N 1.40 -0.70 2.39 7.41 0.00 -1.22 -4.87 105.19 109.59 1k3i n GLY 598 Ca 0.10 -1.61 -0.17 0.00 0.00 0.00 0.00 46.02 44.34 1k3i n GLY 598 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k3i n GLY 599 N -0.39 -0.30 2.56 -0.02 0.00 -1.26 -2.31 105.19 103.46 1k3i n GLY 599 Ca 0.00 -0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 1k3i n GLY 599 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1k3i n ASN 600 N -1.24 -5.64 -4.37 1.61 3.02 -1.26 -4.88 115.26 102.50 1k3i n ASN 600 Ca -0.18 -0.10 -0.34 0.00 -0.03 0.00 0.00 54.58 53.93 1k3i n ASN 600 Cb 0.64 -4.60 -0.14 0.00 -0.61 0.00 0.00 39.78 35.07 1k3i n ASN 600 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1k3i s SER 601 N -2.34 4.31 0.11 6.41 0.15 -0.98 -1.50 113.70 119.86 1k3i s SER 601 Ca 0.10 -0.31 0.04 0.00 0.70 0.00 0.00 55.95 56.48 1k3i s SER 601 Cb -0.04 -1.70 -0.04 0.00 -1.71 0.00 0.00 66.02 62.53 1k3i s SER 601 CO 0.12 0.09 -0.10 -0.31 1.20 0.00 0.00 173.24 174.23 1k3i s TYR 602 N 0.84 1.15 0.08 3.44 1.51 -0.33 -0.64 117.35 123.40 1k3i s TYR 602 Ca -0.02 -0.68 0.01 0.00 -1.01 0.00 0.00 57.07 55.37 1k3i s TYR 602 Cb -0.15 -0.61 -0.04 0.00 -0.11 0.00 0.00 41.96 41.05 1k3i s TYR 602 CO 0.01 0.03 -0.05 -1.54 -1.11 0.00 0.00 175.55 172.89 1k3i s SER 603 N -2.65 0.93 0.05 2.29 1.04 -0.80 0.11 113.70 114.67 1k3i s SER 603 Ca 0.09 -1.00 -0.17 0.00 0.48 0.00 0.00 55.95 55.35 1k3i s SER 603 Cb -0.01 0.13 0.03 0.00 0.10 0.00 0.00 66.02 66.27 1k3i s SER 603 CO 0.00 -0.51 0.39 0.72 0.98 0.00 0.00 173.24 174.83 1k3i s PHE 604 N -3.70 -0.23 -0.14 5.02 -0.12 -0.54 -1.18 117.98 117.10 1k3i s PHE 604 Ca 0.10 0.16 -0.04 0.00 -0.05 0.00 0.00 56.93 57.11 1k3i s PHE 604 Cb 0.06 0.20 -0.03 0.00 -0.63 0.00 0.00 43.02 42.62 1k3i s PHE 604 CO -0.06 -0.57 -0.01 -1.14 -0.05 0.00 0.00 175.22 173.39 1k3i s GLN 605 N -2.55 3.48 0.15 1.99 0.74 -1.26 -1.62 119.66 120.59 1k3i s GLN 605 Ca -0.05 -0.45 -0.30 0.00 0.05 0.00 0.00 55.36 54.61 1k3i s GLN 605 Cb -0.01 -2.92 -0.07 0.00 1.10 0.00 0.00 33.01 31.12 1k3i s GLN 605 CO -0.03 0.41 0.98 0.08 -0.55 0.00 0.00 175.29 176.18 1k3i s VAL 606 N -0.07 4.29 0.22 1.34 1.01 0.10 -4.74 120.40 122.56 1k3i s VAL 606 Ca 0.03 2.00 -0.30 0.00 0.00 0.00 0.00 61.98 63.72 1k3i s VAL 606 Cb -0.13 -4.28 -0.16 0.00 0.00 0.00 0.00 36.38 31.82 1k3i s VAL 606 CO 0.02 0.35 0.86 -2.65 0.00 0.00 0.00 175.10 173.69 1k3i n PRO 607 N 2.40 0.75 0.21 2.72 -0.02 -1.26 -0.99 135.00 138.82 1k3i n PRO 607 Ca 0.01 0.27 0.09 0.00 -2.02 0.00 0.00 63.50 61.85 1k3i n PRO 607 Cb 0.48 -1.53 0.41 0.00 -0.02 0.00 0.00 33.50 32.84 1k3i n PRO 607 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1k3i h SER 608 N 1.94 0.00 -3.49 2.55 4.64 -1.89 -2.50 113.55 114.79 1k3i h SER 608 Ca -0.37 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.34 1k3i h SER 608 Cb 1.38 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.36 1k3i h SER 608 CO 0.61 0.25 0.32 -0.62 -0.87 0.00 0.00 176.83 176.52 1k3i s ASP 609 N -6.23 6.58 0.00 4.97 -1.08 -1.26 -4.51 116.67 115.13 1k3i s ASP 609 Ca 0.01 0.48 0.15 0.00 -0.52 0.00 0.00 52.55 52.67 1k3i s ASP 609 Cb 0.10 -2.38 0.80 0.00 -1.46 0.00 0.00 42.92 39.98 1k3i s ASP 609 CO 0.65 -0.62 1.42 -1.54 0.52 0.00 0.00 175.17 175.60 1k3i n SER 610 N 6.19 0.00 0.18 -0.34 3.41 -1.26 -1.43 113.62 120.37 1k3i n SER 610 Ca 0.02 -0.03 0.07 0.00 -0.26 0.00 0.00 58.87 58.68 1k3i n SER 610 Cb 0.48 -0.24 0.11 0.00 -0.26 0.00 0.00 64.21 64.30 1k3i n SER 610 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1k3i h GLY 611 N 2.51 0.00 0.00 5.00 0.00 -1.84 -2.97 103.07 105.78 1k3i h GLY 611 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1k3i h GLY 611 CO 0.00 0.00 -0.91 -0.62 0.00 0.00 0.00 176.54 175.01 1k3i n VAL 612 N -3.16 1.47 -2.37 4.60 0.31 -0.53 -4.11 118.33 114.54 1k3i n VAL 612 Ca 0.03 0.13 -0.43 0.00 -0.01 0.00 0.00 64.34 64.06 1k3i n VAL 612 Cb 0.63 -2.31 0.00 0.00 -0.91 0.00 0.00 33.84 31.24 1k3i n VAL 612 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1k3i n ALA 613 N -4.00 5.08 -1.63 3.52 0.00 -0.51 -4.97 120.51 117.99 1k3i n ALA 613 Ca -0.15 -4.24 -0.48 0.00 0.00 0.00 0.00 53.44 48.57 1k3i n ALA 613 Cb 0.44 -3.08 -0.05 0.00 0.00 0.00 0.00 19.45 16.77 1k3i n ALA 613 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1k3i n LEU 614 N 4.57 2.39 -4.72 0.00 4.77 -1.12 -4.50 117.00 118.39 1k3i n LEU 614 Ca 0.41 1.11 -0.38 0.00 -0.03 0.00 0.00 56.01 57.12 1k3i n LEU 614 Cb 0.38 -1.32 0.06 0.00 -2.33 0.00 0.00 43.42 40.21 1k3i n LEU 614 CO 0.79 -0.70 0.88 -0.81 -1.33 0.00 0.00 177.39 176.23 1k3i n PRO 615 N 2.77 1.32 0.00 3.23 -0.04 -1.26 -4.85 135.00 136.17 1k3i n PRO 615 Ca 0.17 0.50 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 1k3i n PRO 615 Cb 0.25 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 1k3i n PRO 615 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1k3i n GLY 616 N 0.91 0.91 3.78 0.55 0.00 -0.44 -4.18 105.19 106.73 1k3i n GLY 616 Ca 0.13 -1.95 -0.38 0.00 0.00 0.00 0.00 46.02 43.82 1k3i n GLY 616 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k3i s TYR 617 N -2.30 3.66 0.15 1.61 2.02 -1.26 -0.42 117.35 120.80 1k3i s TYR 617 Ca 0.00 1.00 0.05 0.00 -0.37 0.00 0.00 57.07 57.76 1k3i s TYR 617 Cb 0.00 -2.43 -0.04 0.00 -0.40 0.00 0.00 41.96 39.08 1k3i s TYR 617 CO 0.00 0.44 -0.12 -1.58 -1.57 0.00 0.00 175.55 172.72 1k3i s TRP 618 N -0.39 1.36 -0.20 2.71 0.52 0.56 -1.70 118.94 121.80 1k3i s TRP 618 Ca 0.26 -0.67 -0.07 0.00 0.02 0.00 0.00 56.10 55.64 1k3i s TRP 618 Cb -0.17 -0.68 -0.04 0.00 -1.15 0.00 0.00 33.47 31.43 1k3i s TRP 618 CO 0.13 0.14 0.05 -1.64 0.02 0.00 0.00 176.95 175.65 1k3i s MET 619 N -3.41 3.85 -0.24 4.98 -1.94 0.14 -0.91 119.30 121.76 1k3i s MET 619 Ca 0.15 -0.41 -0.13 0.00 -1.71 0.00 0.00 55.69 53.60 1k3i s MET 619 Cb -0.00 -3.20 -0.05 0.00 2.01 0.00 0.00 34.83 33.59 1k3i s MET 619 CO 0.02 0.15 0.26 -1.17 -0.01 0.00 0.00 175.02 174.26 1k3i s LEU 620 N 0.70 4.09 -0.02 -0.03 2.96 0.23 -0.81 118.68 125.80 1k3i s LEU 620 Ca 0.03 0.21 0.07 0.00 -0.22 0.00 0.00 54.13 54.21 1k3i s LEU 620 Cb -0.13 -2.25 -0.02 0.00 0.50 0.00 0.00 46.19 44.28 1k3i s LEU 620 CO 0.02 -0.03 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.44 1k3i s PHE 621 N 1.41 2.01 0.05 5.38 0.08 -0.36 -1.61 117.98 124.95 1k3i s PHE 621 Ca 0.11 -0.40 0.09 0.00 0.12 0.00 0.00 56.93 56.86 1k3i s PHE 621 Cb -0.15 -1.30 -0.03 0.00 -0.57 0.00 0.00 43.02 40.98 1k3i s PHE 621 CO 0.07 -0.05 -0.26 0.14 -0.10 0.00 0.00 175.22 175.02 1k3i s VAL 622 N -0.48 2.15 0.04 -0.44 -7.23 -1.26 -0.91 120.40 112.28 1k3i s VAL 622 Ca 0.07 -1.43 0.07 0.00 -1.81 0.00 0.00 61.98 58.88 1k3i s VAL 622 Cb -0.09 -1.85 -0.02 0.00 0.56 0.00 0.00 36.38 34.98 1k3i s VAL 622 CO -0.00 0.34 -0.20 -0.04 -0.31 0.00 0.00 175.10 174.88 1k3i s MET 623 N -1.33 1.39 0.79 4.82 -1.94 0.01 -0.76 119.30 122.28 1k3i s MET 623 Ca 0.12 -0.92 -0.04 0.00 -1.71 0.00 0.00 55.69 53.14 1k3i s MET 623 Cb -0.10 -1.49 0.16 0.00 2.01 0.00 0.00 34.83 35.41 1k3i s MET 623 CO 0.02 0.38 1.09 0.54 -0.01 0.00 0.00 175.02 177.04 1k3i s ASN 624 N -1.13 3.96 0.64 3.03 2.20 -0.83 -0.66 114.94 122.14 1k3i s ASN 624 Ca 0.07 -0.30 0.39 0.00 -0.94 0.00 0.00 52.86 52.08 1k3i s ASN 624 Cb -0.09 0.06 2.18 0.00 -2.00 0.00 0.00 41.25 41.41 1k3i s ASN 624 CO 0.02 -2.14 2.32 0.77 -2.94 0.00 0.00 177.10 175.13 1k3i h SER 625 N -0.83 0.00 0.29 3.54 4.64 -1.90 -0.82 113.55 118.47 1k3i h SER 625 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1k3i h SER 625 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1k3i h SER 625 CO 0.37 0.00 -0.08 0.00 -0.87 0.00 0.00 176.83 176.26 1k3i n ALA 626 N -2.17 2.71 -0.64 5.18 0.00 -1.26 -4.91 120.51 119.43 1k3i n ALA 626 Ca -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1k3i n ALA 626 Cb 0.09 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1k3i n ALA 626 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k3i n GLY 627 N 1.23 0.69 3.69 0.00 0.00 -0.31 -5.04 105.19 105.45 1k3i n GLY 627 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1k3i n GLY 627 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k3i s VAL 628 N -2.12 5.02 0.32 1.61 1.01 -1.26 -4.84 120.40 120.15 1k3i s VAL 628 Ca 0.00 1.34 -0.07 0.00 0.00 0.00 0.00 61.98 63.25 1k3i s VAL 628 Cb 0.00 -4.00 -0.06 0.00 0.00 0.00 0.00 36.38 32.32 1k3i s VAL 628 CO 0.00 0.17 0.62 -2.16 0.00 0.00 0.00 175.10 173.73 1k3i s PRO 629 N 1.39 3.70 0.99 2.72 0.04 -1.26 -1.97 135.00 140.60 1k3i s PRO 629 Ca 0.34 0.18 -0.17 0.00 0.04 0.00 0.00 61.00 61.39 1k3i s PRO 629 Cb -0.17 -2.57 0.22 0.00 0.04 0.00 0.00 34.50 32.02 1k3i s PRO 629 CO 0.14 0.15 1.33 -1.54 0.04 0.00 0.00 177.00 177.11 1k3i s SER 630 N -3.08 2.87 0.68 6.66 1.04 0.06 -4.50 113.70 117.43 1k3i s SER 630 Ca 0.47 0.24 -0.08 0.00 0.48 0.00 0.00 55.95 57.06 1k3i s SER 630 Cb -0.11 -0.25 0.04 0.00 0.10 0.00 0.00 66.02 65.80 1k3i s SER 630 CO 0.29 -2.89 1.01 0.68 0.98 0.00 0.00 173.24 173.32 1k3i s VAL 631 N -3.87 2.95 0.41 5.02 -7.23 -1.26 -4.75 120.40 111.66 1k3i s VAL 631 Ca 0.75 0.00 -0.22 0.00 -1.81 0.00 0.00 61.98 60.70 1k3i s VAL 631 Cb -0.03 -3.25 -0.10 0.00 0.56 0.00 0.00 36.38 33.55 1k3i s VAL 631 CO 0.53 -0.28 0.96 0.00 -0.31 0.00 0.00 175.10 176.00 1k3i s ALA 632 N -3.22 3.07 -0.17 1.32 0.00 0.28 -4.77 121.76 118.27 1k3i s ALA 632 Ca 0.58 0.47 -0.02 0.00 0.00 0.00 0.00 51.96 52.98 1k3i s ALA 632 Cb -0.11 -3.17 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 1k3i s ALA 632 CO 0.47 0.09 -0.09 -1.12 0.00 0.00 0.00 175.76 175.11 1k3i s SER 633 N -1.98 4.20 0.02 0.00 0.01 -0.63 -4.88 113.70 110.43 1k3i s SER 633 Ca 0.59 -0.34 -0.30 0.00 1.31 0.00 0.00 55.95 57.21 1k3i s SER 633 Cb -0.13 -1.68 -0.04 0.00 0.21 0.00 0.00 66.02 64.38 1k3i s SER 633 CO 0.17 0.09 1.15 -0.89 0.41 0.00 0.00 173.24 174.17 1k3i s THR 634 N 0.83 4.26 -0.05 1.44 2.01 -1.26 -0.60 115.64 122.26 1k3i s THR 634 Ca -0.03 1.62 0.02 0.00 0.31 0.00 0.00 61.69 63.61 1k3i s THR 634 Cb -0.15 -4.04 0.01 0.00 0.01 0.00 0.00 72.50 68.34 1k3i s THR 634 CO 0.01 0.09 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.29 1k3i s ILE 635 N 1.35 1.01 -0.23 1.82 -1.09 -0.09 -4.83 121.20 119.15 1k3i s ILE 635 Ca 0.57 -0.43 -0.10 0.00 -2.23 0.00 0.00 60.65 58.46 1k3i s ILE 635 Cb -0.26 -0.93 -0.05 0.00 -1.58 0.00 0.00 42.46 39.64 1k3i s ILE 635 CO 0.27 0.32 0.14 -0.60 -1.23 0.00 0.00 174.94 173.85 1k3i s ARG 636 N 0.57 4.09 -0.21 2.79 3.52 0.13 -0.32 118.95 129.52 1k3i s ARG 636 Ca -0.11 -0.26 -0.09 0.00 -0.13 0.00 0.00 55.73 55.14 1k3i s ARG 636 Cb -0.14 -3.48 -0.04 0.00 -1.56 0.00 0.00 34.95 29.72 1k3i s ARG 636 CO 0.03 0.13 0.10 0.08 -0.81 0.00 0.00 175.30 174.83 1k3i s VAL 637 N 0.84 4.99 0.43 7.11 1.01 0.44 -0.80 120.40 134.42 1k3i s VAL 637 Ca 0.07 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.15 1k3i s VAL 637 Cb -0.13 -3.28 -0.06 0.00 0.00 0.00 0.00 36.38 32.91 1k3i s VAL 637 CO 0.02 0.42 0.02 0.42 0.00 0.00 0.00 175.10 175.98 1k3i s THR 638 N 0.66 1.69 -2.63 3.92 -4.23 0.04 -1.33 115.64 113.75 1k3i s THR 638 Ca 0.05 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 58.83 1k3i s THR 638 Cb -0.13 -2.76 0.45 0.00 1.34 0.00 0.00 72.50 71.41 1k3i s THR 638 CO 0.01 0.00 1.62 0.00 -0.54 0.00 0.00 174.62 175.71