#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g3i s THR 2 N 0.00 -0.39 -0.23 12.58 2.01 -1.26 -1.80 115.64 126.55 1g3i s THR 2 Ca 0.00 -0.31 -0.03 0.00 0.31 0.00 0.00 61.69 61.66 1g3i s THR 2 Cb 0.00 -0.85 0.01 0.00 0.01 0.00 0.00 72.50 71.67 1g3i s THR 2 CO 0.00 -0.34 -0.06 -0.63 -0.69 0.00 0.00 174.62 172.90 1g3i s ILE 3 N 2.36 3.07 0.06 1.82 -1.09 -0.49 -2.98 121.20 123.95 1g3i s ILE 3 Ca 0.09 -0.78 0.06 0.00 -2.23 0.00 0.00 60.65 57.79 1g3i s ILE 3 Cb -0.15 -2.47 -0.03 0.00 -1.58 0.00 0.00 42.46 38.23 1g3i s ILE 3 CO -0.24 0.31 -0.18 0.54 -1.23 0.00 0.00 174.94 174.15 1g3i s VAL 4 N 1.40 1.42 -0.04 2.92 0.11 -0.17 -0.18 120.40 125.85 1g3i s VAL 4 Ca 0.03 -1.26 -0.01 0.00 -2.93 0.00 0.00 61.98 57.81 1g3i s VAL 4 Cb -0.15 -1.28 0.03 0.00 -1.53 0.00 0.00 36.38 33.44 1g3i s VAL 4 CO -0.04 -0.01 0.03 -0.55 -3.33 0.00 0.00 175.10 171.19 1g3i s SER 5 N -1.48 0.94 0.01 3.54 0.15 0.51 -1.23 113.70 116.14 1g3i s SER 5 Ca 0.04 0.01 0.07 0.00 0.70 0.00 0.00 55.95 56.76 1g3i s SER 5 Cb -0.09 -0.22 -0.03 0.00 -1.71 0.00 0.00 66.02 63.97 1g3i s SER 5 CO 0.02 -0.19 -0.19 -0.69 1.20 0.00 0.00 173.24 173.39 1g3i s VAL 6 N 1.71 2.65 -0.20 4.45 1.01 -1.10 -0.30 120.40 128.63 1g3i s VAL 6 Ca -0.00 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 60.89 1g3i s VAL 6 Cb -0.13 -2.06 0.05 0.00 0.00 0.00 0.00 36.38 34.24 1g3i s VAL 6 CO -0.03 0.44 -0.08 -0.60 0.00 0.00 0.00 175.10 174.83 1g3i s ARG 7 N -1.12 1.76 -0.25 2.72 3.52 -1.16 -2.22 118.95 122.19 1g3i s ARG 7 Ca 0.13 -0.79 -0.14 0.00 -0.13 0.00 0.00 55.73 54.80 1g3i s ARG 7 Cb -0.10 -2.35 0.08 0.00 -1.56 0.00 0.00 34.95 31.02 1g3i s ARG 7 CO 0.03 -0.47 0.61 1.03 -0.81 0.00 0.00 175.30 175.69 1g3i s ARG 8 N 1.46 0.61 -0.40 5.12 1.81 -0.78 -4.86 118.95 121.91 1g3i s ARG 8 Ca -0.02 1.14 -0.01 0.00 -1.72 0.00 0.00 55.73 55.13 1g3i s ARG 8 Cb -0.17 0.18 -0.01 0.00 -0.45 0.00 0.00 34.95 34.50 1g3i s ARG 8 CO -0.08 -0.16 0.34 0.09 -0.68 0.00 0.00 175.30 174.81 1g3i n ASN 9 N 4.45 -2.53 -0.60 0.23 4.13 -1.26 -3.24 115.26 116.46 1g3i n ASN 9 Ca -0.20 -0.23 -0.06 0.00 1.68 0.00 0.00 54.58 55.78 1g3i n ASN 9 Cb 0.57 -2.13 -0.03 0.00 -1.54 0.00 0.00 39.78 36.66 1g3i n ASN 9 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1g3i n GLY 10 N -1.16 0.57 3.55 7.41 0.00 -1.26 -4.91 105.19 109.39 1g3i n GLY 10 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 1g3i n GLY 10 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g3i s GLN 11 N -2.13 3.14 -0.11 1.61 -1.52 -1.20 -4.78 119.66 114.67 1g3i s GLN 11 Ca 0.00 -0.53 0.00 0.00 -1.95 0.00 0.00 55.36 52.88 1g3i s GLN 11 Cb 0.00 -2.73 0.02 0.00 -0.22 0.00 0.00 33.01 30.09 1g3i s GLN 11 CO 0.00 0.49 -0.09 0.08 -0.25 0.00 0.00 175.29 175.52 1g3i s VAL 12 N -0.32 1.11 0.13 1.09 1.01 -1.23 -1.87 120.40 120.31 1g3i s VAL 12 Ca 0.05 -0.36 0.08 0.00 0.00 0.00 0.00 61.98 61.76 1g3i s VAL 12 Cb -0.12 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1g3i s VAL 12 CO 0.02 0.38 -0.20 -0.69 0.00 0.00 0.00 175.10 174.61 1g3i s VAL 13 N 1.55 1.77 -0.24 2.92 1.01 -0.94 -1.31 120.40 125.16 1g3i s VAL 13 Ca 0.03 -1.68 -0.03 0.00 0.00 0.00 0.00 61.98 60.29 1g3i s VAL 13 Cb -0.13 -1.68 0.11 0.00 0.00 0.00 0.00 36.38 34.68 1g3i s VAL 13 CO -0.07 -0.14 0.22 -0.69 0.00 0.00 0.00 175.10 174.42 1g3i s VAL 14 N -1.47 -0.30 0.28 2.92 1.01 -0.45 -2.71 120.40 119.68 1g3i s VAL 14 Ca 0.10 -0.33 0.09 0.00 0.00 0.00 0.00 61.98 61.84 1g3i s VAL 14 Cb -0.08 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 1g3i s VAL 14 CO 0.05 -0.37 0.06 -0.83 0.00 0.00 0.00 175.10 174.01 1g3i s GLY 15 N 2.29 1.68 -0.06 4.51 0.00 -0.36 -2.79 107.32 112.59 1g3i s GLY 15 Ca 0.08 -1.66 -0.30 0.00 0.00 0.00 0.00 44.72 42.84 1g3i s GLY 15 CO -0.22 -1.69 0.78 -0.32 0.00 0.00 0.00 173.10 171.65 1g3i s GLY 16 N -3.74 -0.48 0.00 0.20 0.00 -1.21 -1.00 107.32 101.08 1g3i s GLY 16 Ca 0.33 1.44 0.00 0.00 0.00 0.00 0.00 44.72 46.49 1g3i s GLY 16 CO 0.21 0.87 0.00 2.09 0.00 0.00 0.00 173.10 176.28 1g3i n ASP 17 N 0.67 0.00 -2.20 1.64 5.75 -1.16 -1.77 116.55 119.48 1g3i n ASP 17 Ca -0.16 0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 54.59 1g3i n ASP 17 Cb 0.58 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.75 1g3i n ASP 17 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1g3i n GLY 18 N 1.96 1.54 3.33 6.12 0.00 -0.93 -4.14 105.19 113.07 1g3i n GLY 18 Ca 0.00 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1g3i n GLY 18 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1g3i s GLN 19 N 0.09 2.80 -0.67 1.61 0.74 -1.26 0.22 119.66 123.20 1g3i s GLN 19 Ca 0.06 -1.43 -0.25 0.00 0.05 0.00 0.00 55.36 53.80 1g3i s GLN 19 Cb 0.32 -3.98 0.05 0.00 1.10 0.00 0.00 33.01 30.50 1g3i s GLN 19 CO -0.09 -1.01 1.09 0.08 -0.55 0.00 0.00 175.29 174.81 1g3i s VAL 20 N 1.53 4.10 -0.08 1.34 1.01 0.26 -4.62 120.40 123.94 1g3i s VAL 20 Ca 0.04 0.09 -0.14 0.00 0.00 0.00 0.00 61.98 61.97 1g3i s VAL 20 Cb -0.24 -4.75 -0.05 0.00 0.00 0.00 0.00 36.38 31.34 1g3i s VAL 20 CO 0.04 -1.54 0.36 -0.44 0.00 0.00 0.00 175.10 173.52 1g3i s SER 21 N 3.53 6.64 -0.28 3.32 0.01 -1.26 -1.36 113.70 124.30 1g3i s SER 21 Ca 0.29 0.76 0.01 0.00 1.31 0.00 0.00 55.95 58.32 1g3i s SER 21 Cb -0.12 -2.22 0.08 0.00 0.21 0.00 0.00 66.02 63.97 1g3i s SER 21 CO 0.14 0.21 0.03 -0.22 0.41 0.00 0.00 173.24 173.81 1g3i s LEU 22 N -0.31 2.93 0.00 2.44 2.96 -0.73 -4.92 118.68 121.06 1g3i s LEU 22 Ca 0.21 -1.55 0.00 0.00 -0.22 0.00 0.00 54.13 52.57 1g3i s LEU 22 Cb -0.15 -1.16 0.00 0.00 0.50 0.00 0.00 46.19 45.39 1g3i s LEU 22 CO 0.09 -0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.40 1g3i n GLY 23 N 4.65 2.28 0.01 7.98 0.00 -1.26 -2.09 105.19 116.77 1g3i n GLY 23 Ca -0.05 -0.21 0.02 0.00 0.00 0.00 0.00 46.02 45.78 1g3i n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1g3i n ASN 24 N 9.66 2.01 -4.95 1.61 3.02 -1.26 -5.04 115.26 120.31 1g3i n ASN 24 Ca 0.00 -2.15 -0.24 0.00 -0.03 0.00 0.00 54.58 52.15 1g3i n ASN 24 Cb 0.00 -0.07 0.02 0.00 -0.61 0.00 0.00 39.78 39.12 1g3i n ASN 24 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1g3i s THR 25 N -1.27 1.75 -0.22 3.41 -4.23 -0.89 -5.12 115.64 109.07 1g3i s THR 25 Ca 0.05 -1.34 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 1g3i s THR 25 Cb 0.04 -2.09 0.05 0.00 1.34 0.00 0.00 72.50 71.85 1g3i s THR 25 CO 0.00 0.00 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.34 1g3i s VAL 26 N -2.76 1.46 0.01 2.29 1.01 -1.26 -1.77 120.40 119.38 1g3i s VAL 26 Ca 0.42 -1.08 0.13 0.00 0.00 0.00 0.00 61.98 61.44 1g3i s VAL 26 Cb -0.03 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 1g3i s VAL 26 CO 0.26 -0.03 1.44 -0.03 0.00 0.00 0.00 175.10 176.75 1g3i h MET 27 N 7.99 0.00 -1.42 2.72 -1.53 -1.57 -3.47 114.93 117.65 1g3i h MET 27 Ca -0.20 0.00 0.11 0.00 -3.44 0.00 0.00 59.70 56.17 1g3i h MET 27 Cb 1.08 0.00 -0.29 0.00 -0.55 0.00 0.00 31.60 31.85 1g3i h MET 27 CO 0.42 0.65 0.58 0.21 0.14 0.00 0.00 176.91 178.91 1g3i s LYS 28 N -3.01 0.34 -0.29 0.39 2.20 -1.19 -5.01 119.74 113.17 1g3i s LYS 28 Ca 0.02 0.44 0.07 0.00 -0.36 0.00 0.00 55.97 56.14 1g3i s LYS 28 Cb 0.09 0.15 0.46 0.00 -1.51 0.00 0.00 37.83 37.02 1g3i s LYS 28 CO 0.76 -0.05 1.19 0.41 -0.36 0.00 0.00 175.35 177.30 1g3i n GLY 29 N 2.29 6.32 0.00 5.54 0.00 -1.25 0.92 105.19 119.01 1g3i n GLY 29 Ca -0.13 -2.64 0.00 0.00 0.00 0.00 0.00 46.02 43.25 1g3i n GLY 29 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1g3i n ASN 30 N -0.71 0.00 -4.28 1.61 0.23 0.13 -4.64 115.26 107.62 1g3i n ASN 30 Ca 0.43 -0.73 -0.36 0.00 -0.53 0.00 0.00 54.58 53.40 1g3i n ASN 30 Cb 0.96 0.00 0.07 0.00 -2.08 0.00 0.00 39.78 38.73 1g3i n ASN 30 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1g3i n ALA 31 N 0.00 -3.30 -2.55 -2.53 0.00 -1.09 -4.88 120.51 106.16 1g3i n ALA 31 Ca 0.00 -0.47 -0.40 0.00 0.00 0.00 0.00 53.44 52.57 1g3i n ALA 31 Cb 0.18 -1.55 -0.10 0.00 0.00 0.00 0.00 19.45 17.98 1g3i n ALA 31 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1g3i s ARG 32 N -2.55 3.64 0.00 0.00 0.52 -1.26 -4.28 118.95 115.01 1g3i s ARG 32 Ca 0.54 -0.40 0.23 0.00 -0.52 0.00 0.00 55.73 55.58 1g3i s ARG 32 Cb -0.27 -3.77 0.03 0.00 0.52 0.00 0.00 34.95 31.45 1g3i s ARG 32 CO 0.70 -0.45 1.09 1.63 0.02 0.00 0.00 175.30 178.29 1g3i n LYS 33 N 5.30 0.51 -3.98 3.54 5.02 -1.26 -4.81 118.16 122.47 1g3i n LYS 33 Ca -0.10 -0.40 -0.30 0.00 -2.02 0.00 0.00 58.31 55.49 1g3i n LYS 33 Cb 0.50 -1.49 -0.16 0.00 -0.02 0.00 0.00 35.03 33.85 1g3i n LYS 33 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1g3i s VAL 34 N -2.77 1.48 0.43 -0.18 1.01 -1.26 -1.91 120.40 117.20 1g3i s VAL 34 Ca 0.14 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.47 1g3i s VAL 34 Cb 0.17 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 1g3i s VAL 34 CO 0.71 0.32 0.16 -0.13 0.00 0.00 0.00 175.10 176.16 1g3i s ARG 35 N 1.50 2.19 -0.12 2.72 1.81 0.63 -4.93 118.95 122.75 1g3i s ARG 35 Ca 0.02 -1.94 -0.02 0.00 -1.72 0.00 0.00 55.73 52.07 1g3i s ARG 35 Cb -0.14 -1.91 -0.03 0.00 -0.45 0.00 0.00 34.95 32.42 1g3i s ARG 35 CO -0.09 -0.17 -0.04 1.03 -0.68 0.00 0.00 175.30 175.35 1g3i s ARG 36 N -3.91 3.27 0.12 3.54 0.52 -1.26 -1.65 118.95 119.59 1g3i s ARG 36 Ca 0.37 -0.51 0.10 0.00 -0.52 0.00 0.00 55.73 55.17 1g3i s ARG 36 Cb 0.04 -2.79 -0.04 0.00 0.52 0.00 0.00 34.95 32.68 1g3i s ARG 36 CO 0.20 0.45 -0.25 -0.51 0.02 0.00 0.00 175.30 175.22 1g3i s LEU 37 N -0.22 2.31 -0.77 2.53 1.43 -0.26 -4.79 118.68 118.91 1g3i s LEU 37 Ca 0.04 -0.73 -0.04 0.00 -1.03 0.00 0.00 54.13 52.37 1g3i s LEU 37 Cb -0.13 -1.10 -0.05 0.00 0.03 0.00 0.00 46.19 44.95 1g3i s LEU 37 CO 0.02 0.13 0.67 0.00 0.23 0.00 0.00 176.35 177.41 1g3i n TYR 38 N 0.96 -1.77 -0.53 0.29 4.19 -1.26 -1.88 117.16 117.16 1g3i n TYR 38 Ca -0.18 0.63 0.00 0.00 3.31 0.00 0.00 57.90 61.65 1g3i n TYR 38 Cb 0.53 -3.73 0.00 0.00 0.49 0.00 0.00 39.34 36.63 1g3i n TYR 38 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 1g3i n ASN 39 N -2.73 -3.06 0.00 2.98 3.02 -1.26 -1.29 115.26 112.91 1g3i n ASN 39 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1g3i n ASN 39 Cb 0.59 -2.08 0.00 0.00 -0.61 0.00 0.00 39.78 37.68 1g3i n ASN 39 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1g3i n GLY 40 N 0.47 1.94 0.10 7.41 0.00 -1.15 -5.04 105.19 108.93 1g3i n GLY 40 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1g3i n GLY 40 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1g3i n LYS 41 N -0.41 0.67 -4.44 1.61 4.01 -0.41 -4.98 118.16 114.22 1g3i n LYS 41 Ca 0.00 0.12 -0.22 0.00 -0.51 0.00 0.00 58.31 57.69 1g3i n LYS 41 Cb 0.00 -1.60 -0.13 0.00 -0.51 0.00 0.00 35.03 32.78 1g3i n LYS 41 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 1g3i s VAL 42 N -2.53 1.40 -0.12 -0.18 -7.23 -0.79 -4.28 120.40 106.67 1g3i s VAL 42 Ca -0.14 -1.17 -0.06 0.00 -1.81 0.00 0.00 61.98 58.80 1g3i s VAL 42 Cb 0.07 -1.25 -0.04 0.00 0.56 0.00 0.00 36.38 35.72 1g3i s VAL 42 CO 0.78 0.05 0.11 -0.76 -0.31 0.00 0.00 175.10 174.98 1g3i s LEU 43 N -1.30 4.23 -0.04 1.32 1.43 0.83 -1.10 118.68 124.05 1g3i s LEU 43 Ca 0.04 0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 1g3i s LEU 43 Cb -0.09 -2.03 0.03 0.00 0.03 0.00 0.00 46.19 44.13 1g3i s LEU 43 CO 0.02 0.39 -0.01 0.00 0.23 0.00 0.00 176.35 176.98 1g3i s ALA 44 N -0.92 0.42 -0.12 4.21 0.00 -0.66 -1.20 121.76 123.50 1g3i s ALA 44 Ca 0.14 0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.21 1g3i s ALA 44 Cb -0.12 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.62 1g3i s ALA 44 CO 0.03 -0.12 -0.15 0.20 0.00 0.00 0.00 175.76 175.73 1g3i s GLY 45 N 1.14 1.07 0.18 0.00 0.00 0.15 -0.27 107.32 109.58 1g3i s GLY 45 Ca -0.08 -0.77 0.07 0.00 0.00 0.00 0.00 44.72 43.93 1g3i s GLY 45 CO -0.02 0.26 0.06 -0.11 0.00 0.00 0.00 173.10 173.29 1g3i s PHE 46 N 1.05 2.96 -0.23 1.90 -0.71 -0.80 -0.27 117.98 121.87 1g3i s PHE 46 Ca -0.05 -0.10 -0.08 0.00 -1.04 0.00 0.00 56.93 55.66 1g3i s PHE 46 Cb -0.15 -1.41 0.10 0.00 -1.21 0.00 0.00 43.02 40.35 1g3i s PHE 46 CO -0.03 0.53 0.50 0.00 -1.34 0.00 0.00 175.22 174.87 1g3i s ALA 47 N -1.80 -1.44 0.00 1.99 0.00 -0.76 -4.89 121.76 114.86 1g3i s ALA 47 Ca 0.29 1.79 0.00 0.00 0.00 0.00 0.00 51.96 54.04 1g3i s ALA 47 Cb -0.09 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.58 1g3i s ALA 47 CO 0.21 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.60 1g3i n GLY 48 N 5.32 -0.30 3.63 0.00 0.00 -1.26 -0.61 105.19 111.97 1g3i n GLY 48 Ca -0.11 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 1g3i n GLY 48 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1g3i s GLY 49 N 0.00 1.51 0.00 -0.02 0.00 -0.09 -4.84 107.32 103.88 1g3i s GLY 49 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.55 1g3i s GLY 49 CO 0.00 2.27 0.00 -1.30 0.00 0.00 0.00 173.10 174.07 1g3i n THR 50 N 6.06 0.00 0.00 0.90 -2.24 -1.26 0.60 114.28 118.34 1g3i n THR 50 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1g3i n THR 50 Cb 0.48 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 1g3i n THR 50 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g3i n ALA 51 N -3.35 -0.21 0.10 6.98 0.00 -1.26 -3.18 120.51 119.59 1g3i n ALA 51 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1g3i n ALA 51 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.63 1g3i n ALA 51 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1g3i n ASP 52 N -1.50 0.17 0.09 0.00 9.92 0.61 -0.13 116.55 125.70 1g3i n ASP 52 Ca 0.00 0.40 -0.11 0.00 -0.53 0.00 0.00 54.79 54.55 1g3i n ASP 52 Cb 0.00 -0.35 -0.07 0.00 -0.64 0.00 0.00 41.12 40.06 1g3i n ASP 52 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1g3i h ALA 53 N 0.99 -0.29 -0.26 2.24 0.00 0.20 -3.17 119.26 118.97 1g3i h ALA 53 Ca 0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1g3i h ALA 53 Cb 0.65 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1g3i h ALA 53 CO 0.00 -0.37 -0.09 0.74 0.00 0.00 0.00 179.25 179.53 1g3i h PHE 54 N -0.89 0.59 -0.13 0.00 0.05 -0.49 -1.14 116.94 114.94 1g3i h PHE 54 Ca -0.03 -0.14 0.04 0.00 3.82 0.00 0.00 57.97 61.66 1g3i h PHE 54 Cb 0.50 -0.14 -0.01 0.00 2.00 0.00 0.00 35.95 38.31 1g3i h PHE 54 CO 0.06 0.75 0.46 1.79 -0.18 0.00 0.00 178.31 181.20 1g3i h THR 55 N 0.26 0.08 0.00 -1.55 1.35 -1.32 0.75 112.91 112.48 1g3i h THR 55 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.92 1g3i h THR 55 Cb 0.58 0.57 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 1g3i h THR 55 CO 0.03 0.00 -1.76 -0.11 -0.25 0.00 0.00 175.52 173.43 1g3i n LEU 56 N -3.04 0.02 -0.05 3.87 0.00 -1.03 -3.50 117.00 113.27 1g3i n LEU 56 Ca 0.01 -0.02 -0.13 0.00 0.00 0.00 0.00 56.01 55.87 1g3i n LEU 56 Cb 0.54 0.00 -0.12 0.00 0.00 0.00 0.00 43.42 43.84 1g3i n LEU 56 CO 0.15 0.01 0.42 0.15 0.00 0.00 0.00 177.39 178.12 1g3i h PHE 57 N 0.00 -0.01 0.00 1.96 3.57 0.15 -3.00 116.94 119.62 1g3i h PHE 57 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1g3i h PHE 57 Cb 0.78 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.52 1g3i h PHE 57 CO 0.00 0.84 0.00 0.93 -2.23 0.00 0.00 178.31 177.85 1g3i h GLU 58 N -0.90 0.00 0.00 1.11 4.39 -0.47 -2.11 114.58 116.61 1g3i h GLU 58 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1g3i h GLU 58 Cb 0.85 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1g3i h GLU 58 CO 0.00 0.00 -0.21 1.25 -1.16 0.00 0.00 179.01 178.89 1g3i h LEU 59 N 0.00 0.00 0.00 1.33 5.85 -1.59 -3.12 115.31 117.78 1g3i h LEU 59 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1g3i h LEU 59 Cb 0.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1g3i h LEU 59 CO 0.00 0.01 -1.34 0.33 -0.34 0.00 0.00 178.44 177.10 1g3i n PHE 60 N -2.75 0.23 -0.05 1.25 7.35 -0.83 -3.82 117.46 118.84 1g3i n PHE 60 Ca 0.04 0.07 -0.15 0.00 -0.76 0.00 0.00 57.45 56.64 1g3i n PHE 60 Cb 0.50 -0.46 -0.07 0.00 0.35 0.00 0.00 39.48 39.80 1g3i n PHE 60 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1g3i h GLU 61 N 0.00 0.55 0.35 -4.13 4.81 -1.39 -2.83 114.58 111.93 1g3i h GLU 61 Ca 0.00 -0.38 -0.00 0.00 -0.13 0.00 0.00 59.36 58.84 1g3i h GLU 61 Cb 0.82 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.23 1g3i h GLU 61 CO 0.00 1.00 -0.50 0.00 -0.73 0.00 0.00 179.01 178.78 1g3i h ARG 62 N 0.18 -0.85 0.00 1.92 3.08 -1.67 0.10 114.38 117.15 1g3i h ARG 62 Ca -0.01 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1g3i h ARG 62 Cb 1.02 0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1g3i h ARG 62 CO 0.09 -0.57 0.08 1.63 -1.07 0.00 0.00 179.97 180.13 1g3i n LYS 63 N -5.38 0.00 -0.12 0.04 4.01 -1.23 -0.78 118.16 114.71 1g3i n LYS 63 Ca -0.10 0.34 -0.24 0.00 -0.51 0.00 0.00 58.31 57.79 1g3i n LYS 63 Cb 0.43 -1.58 -0.10 0.00 -0.51 0.00 0.00 35.03 33.27 1g3i n LYS 63 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1g3i n LEU 64 N -1.32 1.91 0.18 -0.35 4.77 0.21 -3.82 117.00 118.57 1g3i n LEU 64 Ca 0.00 0.39 0.04 0.00 -0.03 0.00 0.00 56.01 56.41 1g3i n LEU 64 Cb 0.08 -0.88 0.46 0.00 -2.33 0.00 0.00 43.42 40.75 1g3i n LEU 64 CO 0.00 0.36 0.91 -0.33 -1.33 0.00 0.00 177.39 177.01 1g3i h GLU 65 N -1.00 0.11 -0.07 3.23 5.08 -0.43 -0.78 114.58 120.71 1g3i h GLU 65 Ca -0.49 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1g3i h GLU 65 Cb 1.41 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1g3i h GLU 65 CO -0.30 0.25 0.00 0.00 -1.00 0.00 0.00 179.01 177.96 1g3i n MET 66 N -4.32 1.22 -2.48 2.33 0.00 0.04 -3.94 117.12 109.97 1g3i n MET 66 Ca -0.02 -0.34 -0.00 0.00 0.00 0.00 0.00 57.70 57.34 1g3i n MET 66 Cb 0.24 -1.21 0.06 0.00 0.00 0.00 0.00 33.22 32.31 1g3i n MET 66 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1g3i n HIS 67 N -0.34 0.23 -2.82 3.17 -0.00 -0.39 -5.01 115.22 110.07 1g3i n HIS 67 Ca 0.09 -1.69 -0.12 0.00 -0.00 0.00 0.00 57.72 56.00 1g3i n HIS 67 Cb 0.12 0.24 -0.01 0.00 -0.00 0.00 0.00 29.99 30.33 1g3i n HIS 67 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1g3i n GLN 68 N -0.61 -2.66 -2.26 -0.41 6.02 -1.13 -0.90 117.38 115.42 1g3i n GLN 68 Ca -0.01 0.31 -0.13 0.00 -0.01 0.00 0.00 57.00 57.16 1g3i n GLN 68 Cb 0.87 -4.89 -0.01 0.00 1.02 0.00 0.00 30.24 27.23 1g3i n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1g3i n GLY 69 N -0.79 -0.16 3.52 1.08 0.00 -0.66 -4.92 105.19 103.26 1g3i n GLY 69 Ca -0.04 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 1g3i n GLY 69 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1g3i s HIS 70 N -2.66 3.12 0.00 1.61 3.76 -0.08 -4.90 115.29 116.14 1g3i s HIS 70 Ca 0.01 -1.86 0.00 0.00 -0.15 0.00 0.00 55.06 53.06 1g3i s HIS 70 Cb -0.00 -4.54 0.00 0.00 1.11 0.00 0.00 32.58 29.14 1g3i s HIS 70 CO 0.01 -1.61 0.27 -0.11 -0.85 0.00 0.00 174.74 172.45 1g3i n LEU 71 N 7.08 0.00 -0.50 0.89 7.94 -1.26 -0.38 117.00 130.77 1g3i n LEU 71 Ca 0.43 0.27 0.39 0.00 -1.11 0.00 0.00 56.01 55.99 1g3i n LEU 71 Cb 0.45 0.00 0.60 0.00 0.53 0.00 0.00 43.42 44.99 1g3i n LEU 71 CO 0.70 0.00 1.14 -0.11 -1.11 0.00 0.00 177.39 178.01 1g3i n LEU 72 N -0.60 0.00 -0.06 -1.96 7.94 -1.26 -0.85 117.00 120.21 1g3i n LEU 72 Ca 0.00 0.75 -0.04 0.00 -1.11 0.00 0.00 56.01 55.61 1g3i n LEU 72 Cb 0.00 -0.36 -0.01 0.00 0.53 0.00 0.00 43.42 43.58 1g3i n LEU 72 CO 0.00 -0.75 -0.29 0.11 -1.11 0.00 0.00 177.39 175.35 1g3i h LYS 73 N 0.00 0.00 -1.46 1.96 1.79 -1.73 -3.32 116.57 113.80 1g3i h LYS 73 Ca 0.68 0.00 0.49 0.00 -2.18 0.00 0.00 60.65 59.64 1g3i h LYS 73 Cb 2.87 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 33.39 1g3i h LYS 73 CO -0.01 0.00 0.96 -1.13 -1.08 0.00 0.00 179.45 178.20 1g3i n SER 74 N -4.38 0.18 0.46 0.86 3.41 0.49 0.10 113.62 114.74 1g3i n SER 74 Ca -0.06 1.32 -0.18 0.00 -0.26 0.00 0.00 58.87 59.69 1g3i n SER 74 Cb 0.22 -0.65 -0.09 0.00 -0.26 0.00 0.00 64.21 63.44 1g3i n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g3i h ALA 75 N 1.50 -1.23 -0.99 7.33 0.00 -1.39 -2.00 119.26 122.46 1g3i h ALA 75 Ca 0.89 -0.26 0.15 0.00 0.00 0.00 0.00 54.91 55.69 1g3i h ALA 75 Cb 2.97 0.45 -0.09 0.00 0.00 0.00 0.00 17.79 21.12 1g3i h ALA 75 CO -0.40 -1.15 0.62 0.28 0.00 0.00 0.00 179.25 178.60 1g3i h VAL 76 N -1.24 0.83 -0.13 0.00 2.07 0.59 0.30 116.25 118.66 1g3i h VAL 76 Ca -0.12 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 1g3i h VAL 76 Cb 0.90 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1g3i h VAL 76 CO 0.20 0.16 -0.17 -0.33 0.02 0.00 0.00 177.57 177.45 1g3i h GLU 77 N 0.87 0.21 -0.06 1.57 5.08 -0.86 -0.96 114.58 120.42 1g3i h GLU 77 Ca 0.52 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.79 1g3i h GLU 77 Cb 0.68 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 1g3i h GLU 77 CO -0.30 0.38 -0.10 1.25 -1.00 0.00 0.00 179.01 179.24 1g3i h LEU 78 N 0.20 0.20 0.02 1.33 5.85 0.29 -3.26 115.31 119.93 1g3i h LEU 78 Ca 0.04 -0.54 0.03 0.00 0.84 0.00 0.00 57.88 58.25 1g3i h LEU 78 Cb 0.42 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 1g3i h LEU 78 CO 0.03 0.70 -0.34 0.00 -0.34 0.00 0.00 178.44 178.49 1g3i h ALA 79 N 0.50 -0.51 -1.49 1.25 0.00 -0.70 -1.36 119.26 116.95 1g3i h ALA 79 Ca 0.00 -0.03 0.43 0.00 0.00 0.00 0.00 54.91 55.32 1g3i h ALA 79 Cb 0.66 0.59 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 1g3i h ALA 79 CO 0.02 -0.86 1.17 1.57 0.00 0.00 0.00 179.25 181.15 1g3i h LYS 80 N -0.50 0.00 0.00 0.00 5.09 -1.23 0.63 116.57 120.56 1g3i h LYS 80 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.80 1g3i h LYS 80 Cb 0.58 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.91 1g3i h LYS 80 CO -0.27 0.00 0.00 -0.44 -2.09 0.00 0.00 179.45 176.65 1g3i h ASP 81 N 0.00 0.00 0.03 7.07 3.45 -1.29 -1.52 116.42 124.16 1g3i h ASP 81 Ca 0.71 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.17 1g3i h ASP 81 Cb 3.03 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 41.80 1g3i h ASP 81 CO -0.01 0.00 -1.59 0.79 -1.57 0.00 0.00 179.24 176.86 1g3i n TRP 82 N -2.85 0.02 -2.68 4.55 8.01 0.22 -3.99 117.44 120.72 1g3i n TRP 82 Ca -0.01 0.01 -0.41 0.00 -1.31 0.00 0.00 57.50 55.77 1g3i n TRP 82 Cb 0.14 -0.33 0.02 0.00 -2.01 0.00 0.00 31.31 29.13 1g3i n TRP 82 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 1g3i n ARG 83 N -1.98 5.31 0.00 -0.99 1.74 -0.57 -4.78 116.66 115.39 1g3i n ARG 83 Ca -0.01 -4.64 0.00 0.00 -0.77 0.00 0.00 57.85 52.44 1g3i n ARG 83 Cb 0.48 -2.48 0.00 0.00 -1.02 0.00 0.00 32.46 29.44 1g3i n ARG 83 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1g3i n THR 84 N 0.16 0.00 -0.02 0.55 -2.24 -1.26 -4.97 114.28 106.51 1g3i n THR 84 Ca 0.44 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 62.26 1g3i n THR 84 Cb 0.27 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.40 1g3i n THR 84 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1g3i n ASP 85 N 0.00 2.14 -3.88 3.42 9.92 -1.26 -4.78 116.55 122.11 1g3i n ASP 85 Ca 0.00 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 53.96 1g3i n ASP 85 Cb 0.00 1.43 -0.15 0.00 -0.64 0.00 0.00 41.12 41.76 1g3i n ASP 85 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1g3i s ARG 86 N -2.76 1.31 1.04 -1.24 3.52 -1.26 -5.12 118.95 114.43 1g3i s ARG 86 Ca -0.05 -1.79 -0.15 0.00 -0.13 0.00 0.00 55.73 53.62 1g3i s ARG 86 Cb 0.07 -2.75 0.21 0.00 -1.56 0.00 0.00 34.95 30.92 1g3i s ARG 86 CO 0.51 -1.01 1.13 0.00 -0.81 0.00 0.00 175.30 175.12 1g3i s ALA 87 N 0.83 1.14 -0.83 6.12 0.00 -1.26 -4.93 121.76 122.83 1g3i s ALA 87 Ca 0.13 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.44 1g3i s ALA 87 Cb -0.20 -2.99 0.25 0.00 0.00 0.00 0.00 23.12 20.17 1g3i s ALA 87 CO -0.10 -2.91 0.92 -0.11 0.00 0.00 0.00 175.76 173.56 1g3i n LEU 88 N -4.23 4.50 0.00 0.00 0.00 -1.26 -5.03 117.00 110.99 1g3i n LEU 88 Ca 0.09 -5.29 0.00 0.00 0.00 0.00 0.00 56.01 50.81 1g3i n LEU 88 Cb 0.59 -0.95 0.00 0.00 0.00 0.00 0.00 43.42 43.06 1g3i n LEU 88 CO 0.53 1.81 0.00 0.54 0.00 0.00 0.00 177.39 180.26 1g3i n ARG 89 N 1.46 0.00 0.00 1.96 1.74 -1.26 -4.68 116.66 115.88 1g3i n ARG 89 Ca 0.26 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 1g3i n ARG 89 Cb 0.37 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.81 1g3i n ARG 89 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1g3i n LYS 90 N 8.02 0.00 -4.28 5.56 -0.00 -1.26 -5.06 118.16 121.14 1g3i n LYS 90 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.98 1g3i n LYS 90 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 35.03 34.87 1g3i n LYS 90 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1g3i s LEU 91 N 0.00 2.09 -1.16 -5.58 1.02 -0.51 -5.02 118.68 109.52 1g3i s LEU 91 Ca 0.00 -0.62 -0.20 0.00 0.02 0.00 0.00 54.13 53.33 1g3i s LEU 91 Cb 0.00 -1.44 -0.04 0.00 0.02 0.00 0.00 46.19 44.73 1g3i s LEU 91 CO 0.00 0.02 1.94 -0.62 0.02 0.00 0.00 176.35 177.71 1g3i n GLU 92 N 4.46 2.21 0.00 1.70 -0.58 -1.26 -3.69 120.64 123.48 1g3i n GLU 92 Ca -0.20 -2.54 0.00 0.00 -0.42 0.00 0.00 57.16 53.99 1g3i n GLU 92 Cb 0.50 -3.38 0.00 0.00 -0.57 0.00 0.00 31.44 27.99 1g3i n GLU 92 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1g3i n ALA 93 N 9.59 0.00 -2.83 0.62 0.00 -1.26 -0.91 120.51 125.71 1g3i n ALA 93 Ca 0.48 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.82 1g3i n ALA 93 Cb 0.43 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.77 1g3i n ALA 93 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1g3i s MET 94 N -2.00 0.42 0.01 0.00 -1.94 0.22 -1.77 119.30 114.24 1g3i s MET 94 Ca 0.00 -0.74 0.08 0.00 -1.71 0.00 0.00 55.69 53.33 1g3i s MET 94 Cb 0.00 -0.00 -0.02 0.00 2.01 0.00 0.00 34.83 36.81 1g3i s MET 94 CO 0.00 -0.03 -0.25 -1.17 -0.01 0.00 0.00 175.02 173.56 1g3i s LEU 95 N -1.69 2.10 -0.26 -0.03 2.96 0.11 -1.82 118.68 120.05 1g3i s LEU 95 Ca -0.11 -0.51 0.03 0.00 -0.22 0.00 0.00 54.13 53.31 1g3i s LEU 95 Cb -0.08 -1.27 0.06 0.00 0.50 0.00 0.00 46.19 45.40 1g3i s LEU 95 CO -0.02 0.28 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.56 1g3i s ILE 96 N -0.69 2.22 -0.05 6.68 1.01 0.63 0.37 121.20 131.38 1g3i s ILE 96 Ca 0.10 -1.57 0.05 0.00 0.00 0.00 0.00 60.65 59.24 1g3i s ILE 96 Cb -0.10 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 40.07 1g3i s ILE 96 CO 0.00 0.01 -0.21 0.68 0.00 0.00 0.00 174.94 175.42 1g3i s VAL 97 N 1.13 2.49 -0.20 2.92 -7.23 -0.30 -0.67 120.40 118.53 1g3i s VAL 97 Ca -0.08 -0.93 -0.21 0.00 -1.81 0.00 0.00 61.98 58.95 1g3i s VAL 97 Cb -0.19 -1.93 0.06 0.00 0.56 0.00 0.00 36.38 34.87 1g3i s VAL 97 CO -0.05 0.58 0.60 0.00 -0.31 0.00 0.00 175.10 175.91 1g3i s ALA 98 N -0.48 -1.49 0.16 1.32 0.00 -0.34 0.27 121.76 121.21 1g3i s ALA 98 Ca 0.06 1.62 0.01 0.00 0.00 0.00 0.00 51.96 53.65 1g3i s ALA 98 Cb -0.12 -0.87 -0.00 0.00 0.00 0.00 0.00 23.12 22.13 1g3i s ALA 98 CO 0.01 -0.29 0.03 -0.40 0.00 0.00 0.00 175.76 175.12 1g3i n ASP 99 N 2.55 1.58 0.33 0.00 3.85 0.29 -0.12 116.55 125.02 1g3i n ASP 99 Ca -0.14 -1.81 0.16 0.00 -0.71 0.00 0.00 54.79 52.28 1g3i n ASP 99 Cb 0.56 0.29 0.83 0.00 -1.35 0.00 0.00 41.12 41.45 1g3i n ASP 99 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1g3i h GLU 100 N 0.00 0.00 0.00 0.11 4.11 -1.95 -3.23 114.58 113.63 1g3i h GLU 100 Ca -0.13 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.10 1g3i h GLU 100 Cb 0.46 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1g3i h GLU 100 CO 0.21 0.00 -1.55 0.36 0.07 0.00 0.00 179.01 178.10 1g3i n LYS 101 N -2.93 0.36 -4.54 1.06 2.85 -1.26 -5.03 118.16 108.66 1g3i n LYS 101 Ca -0.02 0.15 -0.32 0.00 -1.05 0.00 0.00 58.31 57.08 1g3i n LYS 101 Cb 0.38 -1.12 -0.06 0.00 -0.65 0.00 0.00 35.03 33.59 1g3i n LYS 101 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1g3i s GLU 102 N -2.41 2.22 -0.26 -1.58 0.41 -1.22 -5.15 118.70 110.72 1g3i s GLU 102 Ca -0.23 -2.33 -0.14 0.00 -0.41 0.00 0.00 54.97 51.87 1g3i s GLU 102 Cb 0.07 -1.67 0.08 0.00 -1.78 0.00 0.00 34.13 30.83 1g3i s GLU 102 CO 0.30 -0.45 0.62 -1.54 -0.49 0.00 0.00 175.26 173.69 1g3i s SER 103 N -4.00 -0.85 0.21 -0.19 1.04 -1.26 -0.55 113.70 108.10 1g3i s SER 103 Ca 0.11 1.37 0.04 0.00 0.48 0.00 0.00 55.95 57.96 1g3i s SER 103 Cb 0.00 1.36 -0.02 0.00 0.10 0.00 0.00 66.02 67.46 1g3i s SER 103 CO 0.07 -0.23 0.15 0.18 0.98 0.00 0.00 173.24 174.39 1g3i n LEU 104 N 4.47 0.00 -3.71 2.42 4.77 0.76 -4.49 117.00 121.21 1g3i n LEU 104 Ca -0.19 -1.92 -0.14 0.00 -0.03 0.00 0.00 56.01 53.72 1g3i n LEU 104 Cb 0.57 0.94 -0.14 0.00 -2.33 0.00 0.00 43.42 42.45 1g3i n LEU 104 CO 0.00 -0.31 -0.19 -0.51 -1.33 0.00 0.00 177.39 175.04 1g3i s ILE 105 N -2.75 -0.15 -0.08 -0.08 2.07 -1.10 -1.15 121.20 117.96 1g3i s ILE 105 Ca 0.22 0.23 0.03 0.00 -1.41 0.00 0.00 60.65 59.73 1g3i s ILE 105 Cb 0.01 -0.31 0.01 0.00 0.13 0.00 0.00 42.46 42.29 1g3i s ILE 105 CO 0.15 0.10 -0.18 -0.63 -1.91 0.00 0.00 174.94 172.47 1g3i s ILE 106 N 1.66 1.58 0.08 2.00 1.01 0.16 -1.36 121.20 126.33 1g3i s ILE 106 Ca -0.05 -0.75 -0.01 0.00 0.00 0.00 0.00 60.65 59.85 1g3i s ILE 106 Cb -0.11 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 1g3i s ILE 106 CO -0.07 0.45 0.24 0.42 0.00 0.00 0.00 174.94 175.99 1g3i s THR 107 N 0.44 5.35 -2.00 2.92 -4.23 -1.06 0.09 115.64 117.15 1g3i s THR 107 Ca -0.15 -0.32 0.11 0.00 -1.18 0.00 0.00 61.69 60.14 1g3i s THR 107 Cb -0.16 -3.63 0.30 0.00 1.34 0.00 0.00 72.50 70.35 1g3i s THR 107 CO 0.06 0.12 1.08 0.61 -0.54 0.00 0.00 174.62 175.94 1g3i n GLY 108 N 0.23 -0.49 0.09 3.99 0.00 -0.73 -0.91 105.19 107.38 1g3i n GLY 108 Ca -0.05 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 45.99 1g3i n GLY 108 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1g3i n ILE 109 N -0.84 0.67 0.00 -0.61 5.41 -1.26 -1.42 119.36 121.31 1g3i n ILE 109 Ca 0.08 -0.58 0.00 0.00 1.00 0.00 0.00 62.75 63.25 1g3i n ILE 109 Cb 0.04 -0.37 0.00 0.00 -0.71 0.00 0.00 39.64 38.59 1g3i n ILE 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1g3i n GLY 110 N 1.26 0.76 3.58 7.39 0.00 -0.08 -4.88 105.19 113.21 1g3i n GLY 110 Ca -0.04 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 1g3i n GLY 110 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1g3i s ASP 111 N -0.86 -0.36 -0.03 1.61 3.84 -1.25 -4.88 116.67 114.74 1g3i s ASP 111 Ca 0.00 0.38 0.07 0.00 -0.00 0.00 0.00 52.55 52.99 1g3i s ASP 111 Cb 0.00 0.29 -0.02 0.00 -1.38 0.00 0.00 42.92 41.81 1g3i s ASP 111 CO 0.00 -0.34 -0.23 -0.69 -0.00 0.00 0.00 175.17 173.91 1g3i s VAL 112 N -1.17 2.30 -0.04 2.11 1.01 -1.26 -2.56 120.40 120.79 1g3i s VAL 112 Ca -0.01 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 60.99 1g3i s VAL 112 Cb -0.00 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.55 1g3i s VAL 112 CO 0.01 0.58 -0.13 -0.69 0.00 0.00 0.00 175.10 174.88 1g3i s VAL 113 N -0.62 1.08 -0.08 2.92 1.01 -0.46 -5.00 120.40 119.24 1g3i s VAL 113 Ca 0.10 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 61.51 1g3i s VAL 113 Cb -0.10 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1g3i s VAL 113 CO -0.00 0.33 0.16 -1.10 0.00 0.00 0.00 175.10 174.48 1g3i s GLN 114 N 0.21 3.45 1.06 2.72 -0.21 -1.26 -2.70 119.66 122.93 1g3i s GLN 114 Ca -0.05 -0.18 -0.17 0.00 0.02 0.00 0.00 55.36 54.98 1g3i s GLN 114 Cb -0.11 -3.16 0.27 0.00 1.00 0.00 0.00 33.01 31.01 1g3i s GLN 114 CO 0.02 0.75 0.61 -2.30 -2.12 0.00 0.00 175.29 172.24 1g3i n PRO 115 N 1.65 -3.73 -4.00 2.91 -0.02 -1.26 -5.05 135.00 125.51 1g3i n PRO 115 Ca -0.17 -1.02 -0.27 0.00 -2.02 0.00 0.00 63.50 60.02 1g3i n PRO 115 Cb 0.54 -1.39 -0.02 0.00 -0.02 0.00 0.00 33.50 32.61 1g3i n PRO 115 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1g3i s GLU 116 N -4.33 2.26 0.08 -0.52 1.03 -1.26 -4.89 118.70 111.07 1g3i s GLU 116 Ca 0.47 -2.03 -0.01 0.00 0.03 0.00 0.00 54.97 53.44 1g3i s GLU 116 Cb -0.08 -2.03 0.18 0.00 -0.80 0.00 0.00 34.13 31.39 1g3i s GLU 116 CO 0.39 -0.52 0.44 -0.85 -1.33 0.00 0.00 175.26 173.39 1g3i n GLU 117 N -1.65 -0.02 0.27 -4.83 0.00 -1.26 0.87 120.64 114.02 1g3i n GLU 117 Ca -0.03 0.43 0.16 0.00 0.00 0.00 0.00 57.16 57.72 1g3i n GLU 117 Cb 0.64 -0.67 0.68 0.00 0.00 0.00 0.00 31.44 32.10 1g3i n GLU 117 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.13 177.51 1g3i h ASP 118 N 0.00 0.00 -5.69 -1.84 3.04 -1.98 -3.47 116.42 106.48 1g3i h ASP 118 Ca 0.16 0.00 -0.33 0.00 -3.24 0.00 0.00 57.03 53.61 1g3i h ASP 118 Cb 0.29 0.00 0.16 0.00 -1.04 0.00 0.00 39.33 38.74 1g3i h ASP 118 CO -0.28 0.05 -0.79 0.00 -2.04 0.00 0.00 179.24 176.18 1g3i n GLN 119 N -3.18 -5.79 -5.09 4.15 -0.00 0.25 -4.64 117.38 103.09 1g3i n GLN 119 Ca 0.00 0.82 -0.32 0.00 -0.00 0.00 0.00 57.00 57.50 1g3i n GLN 119 Cb 0.31 -5.75 -0.16 0.00 -0.00 0.00 0.00 30.24 24.64 1g3i n GLN 119 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1g3i s ILE 120 N -3.41 2.45 0.01 -0.39 1.01 -1.26 -2.99 121.20 116.62 1g3i s ILE 120 Ca 0.06 -0.91 0.04 0.00 0.00 0.00 0.00 60.65 59.85 1g3i s ILE 120 Cb -0.01 -1.94 -0.01 0.00 0.01 0.00 0.00 42.46 40.50 1g3i s ILE 120 CO 0.74 0.56 -0.13 -0.76 0.00 0.00 0.00 174.94 175.35 1g3i s LEU 121 N -0.04 2.09 -0.15 2.97 1.43 0.59 -4.75 118.68 120.82 1g3i s LEU 121 Ca -0.06 -0.33 -0.13 0.00 -1.03 0.00 0.00 54.13 52.59 1g3i s LEU 121 Cb -0.15 -0.63 0.04 0.00 0.03 0.00 0.00 46.19 45.49 1g3i s LEU 121 CO 0.05 0.10 0.39 0.00 0.23 0.00 0.00 176.35 177.12 1g3i s ALA 122 N -0.54 -0.98 0.16 4.21 0.00 -1.25 0.19 121.76 123.55 1g3i s ALA 122 Ca 0.03 1.19 -0.02 0.00 0.00 0.00 0.00 51.96 53.17 1g3i s ALA 122 Cb -0.06 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 1g3i s ALA 122 CO 0.00 -0.20 0.11 0.96 0.00 0.00 0.00 175.76 176.63 1g3i s ILE 123 N 0.47 0.07 0.00 0.00 -4.36 0.75 -4.82 121.20 113.30 1g3i s ILE 123 Ca -0.02 -1.88 0.00 0.00 -0.26 0.00 0.00 60.65 58.49 1g3i s ILE 123 Cb -0.04 -2.16 0.00 0.00 1.25 0.00 0.00 42.46 41.51 1g3i s ILE 123 CO -0.02 -0.31 0.00 0.61 0.24 0.00 0.00 174.94 175.46 1g3i n GLY 124 N -0.16 0.50 0.33 6.27 0.00 -1.26 -1.39 105.19 109.48 1g3i n GLY 124 Ca -0.03 -2.12 -0.15 0.00 0.00 0.00 0.00 46.02 43.71 1g3i n GLY 124 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1g3i h SER 125 N 0.00 -0.79 0.00 1.61 4.64 -1.74 -2.39 113.55 114.88 1g3i h SER 125 Ca 0.00 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1g3i h SER 125 Cb 0.00 0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1g3i h SER 125 CO 0.00 -0.45 0.00 0.61 -0.87 0.00 0.00 176.83 176.12 1g3i n GLY 126 N -1.42 1.29 0.00 -0.77 0.00 -0.91 -4.62 105.19 98.75 1g3i n GLY 126 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1g3i n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g3i n GLY 127 N 0.04 -0.68 0.57 -0.02 0.00 -0.90 -2.55 105.19 101.65 1g3i n GLY 127 Ca 0.00 0.00 0.42 0.00 0.00 0.00 0.00 46.02 46.44 1g3i n GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1g3i n ASN 128 N 0.00 0.00 0.27 1.61 3.02 -1.26 0.39 115.26 119.29 1g3i n ASN 128 Ca 0.00 0.79 -0.11 0.00 -0.03 0.00 0.00 54.58 55.23 1g3i n ASN 128 Cb 0.00 -0.39 -0.05 0.00 -0.61 0.00 0.00 39.78 38.73 1g3i n ASN 128 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 1g3i h TYR 129 N 0.00 -0.65 -0.95 3.10 0.99 -1.83 0.44 116.97 118.08 1g3i h TYR 129 Ca 0.74 -0.02 0.16 0.00 2.00 0.00 0.00 58.73 61.61 1g3i h TYR 129 Cb 3.01 0.21 -0.08 0.00 1.00 0.00 0.00 36.73 40.87 1g3i h TYR 129 CO 0.00 -0.40 0.60 0.00 -0.00 0.00 0.00 178.16 178.36 1g3i h ALA 130 N -1.60 1.76 0.58 3.88 0.00 0.22 -1.01 119.26 123.10 1g3i h ALA 130 Ca -0.07 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1g3i h ALA 130 Cb 0.53 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1g3i h ALA 130 CO 0.12 -0.04 -0.31 1.25 0.00 0.00 0.00 179.25 180.27 1g3i h LEU 131 N 0.75 -0.74 -1.45 0.00 5.85 -0.84 0.30 115.31 119.18 1g3i h LEU 131 Ca 0.49 0.03 0.15 0.00 0.84 0.00 0.00 57.88 59.39 1g3i h LEU 131 Cb 0.76 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.93 1g3i h LEU 131 CO -0.26 -0.50 0.54 0.28 -0.34 0.00 0.00 178.44 178.16 1g3i h SER 132 N -0.82 0.51 0.31 1.25 0.02 0.96 0.34 113.55 116.11 1g3i h SER 132 Ca -0.08 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 1g3i h SER 132 Cb 0.64 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1g3i h SER 132 CO 0.11 0.26 -0.15 0.00 -1.14 0.00 0.00 176.83 175.91 1g3i h ALA 133 N 1.62 -0.41 -0.08 3.77 0.00 -0.69 -0.94 119.26 122.53 1g3i h ALA 133 Ca 0.41 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1g3i h ALA 133 Cb 0.80 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1g3i h ALA 133 CO -0.16 -0.54 0.00 0.00 0.00 0.00 0.00 179.25 178.56 1g3i n ALA 134 N -2.50 -0.19 -0.35 0.00 0.00 0.99 -0.36 120.51 118.10 1g3i n ALA 134 Ca -0.09 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.46 1g3i n ALA 134 Cb 0.27 0.30 0.23 0.00 0.00 0.00 0.00 19.45 20.25 1g3i n ALA 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g3i h ARG 135 N 0.00 0.00 -0.33 0.00 3.08 -1.07 1.35 114.38 117.41 1g3i h ARG 135 Ca 0.00 -0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.12 1g3i h ARG 135 Cb 0.00 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 29.98 1g3i h ARG 135 CO 0.00 0.00 -0.15 0.00 -1.07 0.00 0.00 179.97 178.75 1g3i h ALA 136 N 2.00 0.11 -1.32 0.04 0.00 0.32 -2.02 119.26 118.39 1g3i h ALA 136 Ca 0.56 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.59 1g3i h ALA 136 Cb 1.04 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1g3i h ALA 136 CO -0.97 -0.53 0.00 1.28 0.00 0.00 0.00 179.25 179.03 1g3i n LEU 137 N -5.33 0.35 -0.22 0.00 4.32 0.44 -2.60 117.00 113.96 1g3i n LEU 137 Ca 0.01 0.65 0.19 0.00 -0.02 0.00 0.00 56.01 56.84 1g3i n LEU 137 Cb 0.24 -0.28 0.35 0.00 -1.62 0.00 0.00 43.42 42.11 1g3i n LEU 137 CO 0.16 -0.28 0.67 0.52 -1.22 0.00 0.00 177.39 177.24 1g3i n VAL 138 N -1.34 -0.28 0.09 4.08 0.31 0.49 -0.13 118.33 121.55 1g3i n VAL 138 Ca 0.00 1.38 -0.02 0.00 -0.01 0.00 0.00 64.34 65.69 1g3i n VAL 138 Cb 0.00 -2.19 -0.05 0.00 -0.91 0.00 0.00 33.84 30.69 1g3i n VAL 138 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1g3i h GLU 139 N 0.00 0.00 -0.12 5.55 5.08 -1.44 -3.37 114.58 120.28 1g3i h GLU 139 Ca 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.89 1g3i h GLU 139 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1g3i h GLU 139 CO -0.54 0.67 0.00 0.09 -1.00 0.00 0.00 179.01 178.24 1g3i n ASN 140 N -3.23 2.39 -3.74 1.42 3.02 0.82 -5.05 115.26 110.90 1g3i n ASN 140 Ca -0.01 -2.11 -0.11 0.00 -0.03 0.00 0.00 54.58 52.31 1g3i n ASN 140 Cb 0.84 -0.12 -0.07 0.00 -0.61 0.00 0.00 39.78 39.82 1g3i n ASN 140 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1g3i s THR 141 N -1.20 0.08 -1.09 3.41 -1.32 -0.23 -5.03 115.64 110.26 1g3i s THR 141 Ca 0.11 -0.69 -0.04 0.00 -1.21 0.00 0.00 61.69 59.86 1g3i s THR 141 Cb 0.07 -1.02 0.30 0.00 -1.51 0.00 0.00 72.50 70.35 1g3i s THR 141 CO 0.06 -0.38 1.51 -0.62 -2.21 0.00 0.00 174.62 172.98 1g3i n GLU 142 N 0.38 4.46 -4.35 7.08 -0.58 -1.26 -4.60 120.64 121.78 1g3i n GLU 142 Ca -0.18 -4.51 -0.32 0.00 -0.42 0.00 0.00 57.16 51.74 1g3i n GLU 142 Cb 0.60 -2.53 -0.10 0.00 -0.57 0.00 0.00 31.44 28.85 1g3i n GLU 142 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1g3i s LEU 143 N -2.69 3.26 0.35 -4.62 1.43 -1.26 -5.09 118.68 110.06 1g3i s LEU 143 Ca 0.31 -0.16 -0.29 0.00 -1.03 0.00 0.00 54.13 52.97 1g3i s LEU 143 Cb 0.05 -1.91 -0.11 0.00 0.03 0.00 0.00 46.19 44.25 1g3i s LEU 143 CO 0.10 0.25 1.53 -1.54 0.23 0.00 0.00 176.35 176.92 1g3i n SER 144 N 1.27 3.86 0.10 2.29 3.41 -1.26 -4.77 113.62 118.52 1g3i n SER 144 Ca -0.14 1.21 0.20 0.00 -0.26 0.00 0.00 58.87 59.87 1g3i n SER 144 Cb 0.52 -1.62 0.73 0.00 -0.26 0.00 0.00 64.21 63.59 1g3i n SER 144 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g3i h ALA 145 N 3.50 2.09 0.11 7.33 0.00 -1.89 0.15 119.26 130.55 1g3i h ALA 145 Ca -0.50 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1g3i h ALA 145 Cb 1.24 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1g3i h ALA 145 CO 0.68 -0.69 -0.05 1.25 0.00 0.00 0.00 179.25 180.44 1g3i h HIS 146 N 0.00 -0.14 -0.95 0.00 -0.00 -1.88 -2.80 115.15 109.37 1g3i h HIS 146 Ca 0.19 -0.00 0.23 0.00 -0.00 0.00 0.00 60.37 60.79 1g3i h HIS 146 Cb 1.15 0.05 -0.12 0.00 -0.00 0.00 0.00 27.41 28.49 1g3i h HIS 146 CO 0.00 0.03 0.50 0.93 -0.00 0.00 0.00 177.93 179.39 1g3i h GLU 147 N -1.02 0.49 0.62 5.26 5.08 -1.54 0.62 114.58 124.09 1g3i h GLU 147 Ca -0.02 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1g3i h GLU 147 Cb 0.23 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.38 1g3i h GLU 147 CO 0.03 0.33 -0.30 0.82 -1.00 0.00 0.00 179.01 178.89 1g3i h ILE 148 N 0.51 0.00 -1.14 3.13 2.04 -1.13 0.21 117.51 121.13 1g3i h ILE 148 Ca 0.60 -0.07 0.33 0.00 1.00 0.00 0.00 64.86 66.72 1g3i h ILE 148 Cb 1.13 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 1g3i h ILE 148 CO -0.49 0.00 0.84 0.58 0.00 0.00 0.00 178.15 179.08 1g3i h VAL 149 N -0.90 0.39 0.16 1.67 2.07 -1.07 0.83 116.25 119.39 1g3i h VAL 149 Ca -0.08 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1g3i h VAL 149 Cb 0.63 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1g3i h VAL 149 CO 0.14 0.00 -0.08 -0.08 0.02 0.00 0.00 177.57 177.57 1g3i h GLU 150 N 0.00 -0.21 -0.74 1.57 4.22 -0.64 -2.79 114.58 115.98 1g3i h GLU 150 Ca 0.54 0.01 0.17 0.00 0.08 0.00 0.00 59.36 60.16 1g3i h GLU 150 Cb 2.22 0.05 -0.12 0.00 0.50 0.00 0.00 28.75 31.40 1g3i h GLU 150 CO -0.01 -0.14 0.11 0.87 -2.18 0.00 0.00 179.01 177.66 1g3i h LYS 151 N -0.68 0.18 -0.99 1.92 1.79 0.13 -0.37 116.57 118.56 1g3i h LYS 151 Ca -0.02 -0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.44 1g3i h LYS 151 Cb 0.17 -0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 30.73 1g3i h LYS 151 CO 0.04 0.12 0.64 0.77 -1.08 0.00 0.00 179.45 179.94 1g3i h SER 152 N 0.19 1.15 -0.42 0.86 0.02 0.47 -2.26 113.55 113.56 1g3i h SER 152 Ca 0.42 -0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.34 1g3i h SER 152 Cb 0.74 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 1g3i h SER 152 CO -0.58 0.84 0.27 -0.07 -1.14 0.00 0.00 176.83 176.16 1g3i h LEU 153 N 1.35 0.46 0.31 5.07 3.38 -0.78 -2.75 115.31 122.36 1g3i h LEU 153 Ca 0.36 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.32 1g3i h LEU 153 Cb -0.14 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1g3i h LEU 153 CO -0.08 0.34 -0.51 -0.09 0.09 0.00 0.00 178.44 178.19 1g3i h ARG 154 N 0.56 -0.85 -0.95 1.13 2.43 -1.08 -0.44 114.38 115.18 1g3i h ARG 154 Ca 0.16 0.06 0.21 0.00 -0.81 0.00 0.00 59.98 59.60 1g3i h ARG 154 Cb -0.05 0.19 -0.18 0.00 -0.42 0.00 0.00 29.97 29.52 1g3i h ARG 154 CO -0.05 -0.56 -0.15 0.82 -1.51 0.00 0.00 179.97 178.52 1g3i h ILE 155 N -0.88 0.05 -0.56 1.20 5.03 -1.38 0.27 117.51 121.25 1g3i h ILE 155 Ca -0.04 -0.00 -0.07 0.00 -0.12 0.00 0.00 64.86 64.63 1g3i h ILE 155 Cb 0.81 0.05 -0.02 0.00 -3.03 0.00 0.00 36.82 34.62 1g3i h ILE 155 CO -0.17 0.00 0.08 0.00 -0.68 0.00 0.00 178.15 177.38 1g3i h ALA 156 N 1.95 1.08 0.00 1.87 0.00 -1.04 -2.86 119.26 120.26 1g3i h ALA 156 Ca 0.50 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1g3i h ALA 156 Cb 0.86 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1g3i h ALA 156 CO -0.95 0.59 -0.29 0.78 0.00 0.00 0.00 179.25 179.39 1g3i h GLY 157 N 1.00 0.00 0.05 0.00 0.00 0.11 0.64 103.07 104.87 1g3i h GLY 157 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1g3i h GLY 157 CO 0.01 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.77 1g3i n ASP 158 N -3.88 0.31 0.00 0.19 10.43 -0.77 -3.94 116.55 118.89 1g3i n ASP 158 Ca -0.02 -1.74 0.00 0.00 2.57 0.00 0.00 54.79 55.60 1g3i n ASP 158 Cb 0.37 -0.03 0.00 0.00 1.84 0.00 0.00 41.12 43.30 1g3i n ASP 158 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 1g3i n ILE 159 N -0.46 0.00 -2.82 0.53 5.41 -0.93 -5.03 119.36 116.07 1g3i n ILE 159 Ca 0.08 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.41 1g3i n ILE 159 Cb 0.08 -0.16 -0.03 0.00 -0.71 0.00 0.00 39.64 38.82 1g3i n ILE 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1g3i n VAL 161 N 4.35 0.24 -1.43 0.00 0.24 -1.26 -2.60 118.33 117.87 1g3i n VAL 161 Ca 0.05 0.06 -0.04 0.00 -2.04 0.00 0.00 64.34 62.37 1g3i n VAL 161 Cb 0.50 -0.67 0.20 0.00 -1.47 0.00 0.00 33.84 32.40 1g3i n VAL 161 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1g3i n PHE 162 N -1.28 1.08 -3.78 6.34 3.72 -1.26 -4.97 117.46 117.32 1g3i n PHE 162 Ca 0.11 -1.57 -0.13 0.00 -0.05 0.00 0.00 57.45 55.82 1g3i n PHE 162 Cb 0.19 -0.48 -0.11 0.00 -0.94 0.00 0.00 39.48 38.13 1g3i n PHE 162 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1g3i s THR 163 N -3.23 -0.00 0.47 4.37 2.01 -1.07 -0.74 115.64 117.45 1g3i s THR 163 Ca 0.44 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.50 1g3i s THR 163 Cb 0.40 -0.39 -0.02 0.00 0.01 0.00 0.00 72.50 72.50 1g3i s THR 163 CO 0.00 0.00 0.18 0.54 -0.69 0.00 0.00 174.62 174.65 1g3i s ASN 164 N 0.17 4.35 0.09 3.53 6.03 -1.26 -4.65 114.94 123.21 1g3i s ASN 164 Ca -0.00 -1.30 0.25 0.00 -1.03 0.00 0.00 52.86 50.77 1g3i s ASN 164 Cb -0.02 0.03 0.52 0.00 -3.03 0.00 0.00 41.25 38.75 1g3i s ASN 164 CO 0.00 -0.77 1.45 0.35 -2.03 0.00 0.00 177.10 176.10 1g3i n THR 165 N -1.36 0.27 -2.71 0.54 -2.24 -1.26 -4.65 114.28 102.86 1g3i n THR 165 Ca -0.06 -0.19 -0.42 0.00 -2.27 0.00 0.00 64.05 61.11 1g3i n THR 165 Cb 0.65 -0.12 -0.03 0.00 -2.10 0.00 0.00 70.33 68.73 1g3i n THR 165 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1g3i s ASN 166 N -3.86 6.54 0.36 3.42 3.84 -1.26 -4.97 114.94 119.02 1g3i s ASN 166 Ca 0.09 -1.67 0.09 0.00 0.21 0.00 0.00 52.86 51.57 1g3i s ASN 166 Cb 0.15 -2.50 -0.06 0.00 -0.55 0.00 0.00 41.25 38.29 1g3i s ASN 166 CO 0.68 -1.33 0.00 0.72 -2.79 0.00 0.00 177.10 174.38 1g3i s PHE 167 N 4.05 2.51 -0.16 0.43 -0.12 -1.26 -2.18 117.98 121.25 1g3i s PHE 167 Ca 0.40 -0.52 0.01 0.00 -0.05 0.00 0.00 56.93 56.77 1g3i s PHE 167 Cb -0.02 -1.57 0.03 0.00 -0.63 0.00 0.00 43.02 40.82 1g3i s PHE 167 CO -0.09 0.47 -0.14 0.95 -0.05 0.00 0.00 175.22 176.35 1g3i s THR 168 N -2.59 1.65 -0.12 -4.49 -4.23 -0.73 -4.99 115.64 100.13 1g3i s THR 168 Ca 0.35 -0.75 0.00 0.00 -1.18 0.00 0.00 61.69 60.12 1g3i s THR 168 Cb 0.03 -1.57 -0.02 0.00 1.34 0.00 0.00 72.50 72.28 1g3i s THR 168 CO 0.19 0.41 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.92 1g3i s ILE 169 N 1.44 3.09 -0.06 2.99 1.01 -1.26 -3.36 121.20 125.05 1g3i s ILE 169 Ca 0.04 -0.66 0.06 0.00 0.00 0.00 0.00 60.65 60.09 1g3i s ILE 169 Cb -0.14 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 40.04 1g3i s ILE 169 CO -0.10 0.53 -0.24 -1.61 0.00 0.00 0.00 174.94 173.51 1g3i s GLU 170 N 0.21 2.53 0.37 2.79 0.41 -1.12 -4.98 118.70 118.91 1g3i s GLU 170 Ca -0.08 -0.89 0.04 0.00 -0.41 0.00 0.00 54.97 53.63 1g3i s GLU 170 Cb -0.15 -2.13 -0.05 0.00 -1.78 0.00 0.00 34.13 30.02 1g3i s GLU 170 CO 0.05 0.36 0.06 -1.83 -0.49 0.00 0.00 175.26 173.41 1g3i s GLU 171 N -0.12 1.80 -0.03 1.61 -1.05 -1.26 -1.34 118.70 118.30 1g3i s GLU 171 Ca -0.05 -2.04 0.01 0.00 -0.15 0.00 0.00 54.97 52.74 1g3i s GLU 171 Cb -0.14 -0.95 0.02 0.00 -0.44 0.00 0.00 34.13 32.62 1g3i s GLU 171 CO 0.04 -0.26 -0.04 -0.51 0.95 0.00 0.00 175.26 175.45 1g3i s LEU 172 N -3.58 1.40 0.00 1.83 1.43 -0.43 -4.99 118.68 114.34 1g3i s LEU 172 Ca 0.31 -0.10 0.26 0.00 -1.03 0.00 0.00 54.13 53.56 1g3i s LEU 172 Cb 0.07 -0.38 0.54 0.00 0.03 0.00 0.00 46.19 46.45 1g3i s LEU 172 CO 0.14 -0.04 1.46 -0.81 0.23 0.00 0.00 176.35 177.33