#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8i s ILE 2 N 0.00 5.12 0.04 3.17 1.09 0.22 -4.77 121.20 126.07 3i8i s ILE 2 Ca 0.00 0.01 -0.22 0.00 -1.10 0.00 0.00 60.65 59.34 3i8i s ILE 2 Cb 0.00 -3.66 0.05 0.00 -1.06 0.00 0.00 42.46 37.79 3i8i s ILE 2 CO 0.00 -0.07 0.52 0.00 -0.10 0.00 0.00 174.94 175.29 3i8i s GLN 3 N -2.95 1.02 0.01 2.79 -2.07 -1.26 0.42 119.66 117.63 3i8i s GLN 3 Ca 0.42 -0.21 -0.39 0.00 -1.82 0.00 0.00 55.36 53.35 3i8i s GLN 3 Cb -0.12 0.47 -0.19 0.00 -1.09 0.00 0.00 33.01 32.08 3i8i s GLN 3 CO 0.26 -0.37 1.13 -0.35 -1.32 0.00 0.00 175.29 174.65 3i8i n PRO 4 N 0.46 0.24 0.00 9.60 -0.04 -1.26 0.10 135.00 144.10 3i8i n PRO 4 Ca -0.18 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 3i8i n PRO 4 Cb 0.60 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 3i8i n PRO 4 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3i8i n GLN 5 N 1.75 0.00 -1.27 0.54 -0.06 0.13 -4.98 117.38 113.50 3i8i n GLN 5 Ca 0.20 0.00 -0.36 0.00 -2.00 0.00 0.00 57.00 54.84 3i8i n GLN 5 Cb 0.10 0.00 0.08 0.00 -4.06 0.00 0.00 30.24 26.36 3i8i n GLN 5 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 3i8i n THR 6 N 0.00 2.16 -4.87 1.69 -1.04 0.12 -4.59 114.28 107.74 3i8i n THR 6 Ca 0.00 -0.36 -0.33 0.00 -2.04 0.00 0.00 64.05 61.32 3i8i n THR 6 Cb 0.00 -0.92 -0.13 0.00 -1.82 0.00 0.00 70.33 67.46 3i8i n THR 6 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3i8i s TYR 7 N -1.91 2.69 0.07 -1.42 1.51 -1.26 -0.63 117.35 116.40 3i8i s TYR 7 Ca 0.69 -0.17 0.07 0.00 -1.01 0.00 0.00 57.07 56.65 3i8i s TYR 7 Cb -0.34 -1.61 -0.03 0.00 -0.11 0.00 0.00 41.96 39.87 3i8i s TYR 7 CO 0.55 0.19 -0.18 -0.51 -1.11 0.00 0.00 175.55 174.49 3i8i s LEU 8 N -0.79 2.23 0.54 -1.29 2.01 -0.37 -4.72 118.68 116.28 3i8i s LEU 8 Ca 0.12 -0.58 -0.13 0.00 0.01 0.00 0.00 54.13 53.55 3i8i s LEU 8 Cb -0.11 -0.76 -0.06 0.00 0.01 0.00 0.00 46.19 45.27 3i8i s LEU 8 CO 0.01 0.05 0.96 -0.70 1.01 0.00 0.00 176.35 177.68 3i8i s GLU 9 N -1.51 3.78 -0.36 1.70 2.56 -0.33 -2.25 118.70 122.29 3i8i s GLU 9 Ca 0.04 0.77 -0.08 0.00 0.00 0.00 0.00 54.97 55.70 3i8i s GLU 9 Cb -0.09 -2.16 0.04 0.00 2.00 0.00 0.00 34.13 33.91 3i8i s GLU 9 CO 0.03 -0.34 0.15 0.08 -0.56 0.00 0.00 175.26 174.61 3i8i s VAL 10 N -2.80 4.08 -0.96 3.70 1.01 -0.88 -0.81 120.40 123.74 3i8i s VAL 10 Ca 0.56 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 3i8i s VAL 10 Cb -0.10 -3.31 0.19 0.00 0.00 0.00 0.00 36.38 33.15 3i8i s VAL 10 CO 0.40 -0.22 2.31 0.00 0.00 0.00 0.00 175.10 177.58 3i8i n ALA 11 N 4.88 6.51 -3.73 5.51 0.00 -0.45 -4.87 120.51 128.36 3i8i n ALA 11 Ca -0.12 -3.94 -0.01 0.00 0.00 0.00 0.00 53.44 49.37 3i8i n ALA 11 Cb 0.45 -2.36 0.03 0.00 0.00 0.00 0.00 19.45 17.57 3i8i n ALA 11 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i8i n ASP 12 N 0.75 -2.10 -1.54 0.00 3.85 -1.26 -2.11 116.55 114.14 3i8i n ASP 12 Ca 0.54 -2.47 0.06 0.00 -0.71 0.00 0.00 54.79 52.21 3i8i n ASP 12 Cb 0.33 3.50 0.34 0.00 -1.35 0.00 0.00 41.12 43.94 3i8i n ASP 12 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 3i8i n ASN 13 N -1.50 4.93 0.00 -1.12 6.94 -1.20 -4.55 115.26 118.76 3i8i n ASN 13 Ca -0.08 -3.02 0.00 0.00 -0.02 0.00 0.00 54.58 51.46 3i8i n ASN 13 Cb 0.55 -0.64 0.01 0.00 -2.36 0.00 0.00 39.78 37.34 3i8i n ASN 13 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 3i8i n THR 14 N 0.10 1.76 0.00 5.53 -2.24 -1.26 -4.77 114.28 113.40 3i8i n THR 14 Ca 0.27 0.44 0.00 0.00 -2.27 0.00 0.00 64.05 62.49 3i8i n THR 14 Cb 1.11 -1.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 3i8i n THR 14 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i8i n GLY 15 N -1.39 3.00 3.74 3.38 0.00 -1.26 -2.19 105.19 110.47 3i8i n GLY 15 Ca 0.00 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 3i8i n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8i s ALA 16 N -2.81 3.80 -0.25 4.61 0.00 -1.26 -0.48 121.76 125.37 3i8i s ALA 16 Ca 0.00 1.58 -0.13 0.00 0.00 0.00 0.00 51.96 53.41 3i8i s ALA 16 Cb 0.00 -3.66 -0.10 0.00 0.00 0.00 0.00 23.12 19.35 3i8i s ALA 16 CO 0.00 -0.97 -0.32 0.54 0.00 0.00 0.00 175.76 175.01 3i8i n ARG 17 N 2.65 0.53 -3.72 0.00 5.12 0.19 -4.59 116.66 116.83 3i8i n ARG 17 Ca 0.10 0.23 -0.16 0.00 -1.93 0.00 0.00 57.85 56.09 3i8i n ARG 17 Cb 0.37 -1.38 -0.16 0.00 -1.16 0.00 0.00 32.46 30.13 3i8i n ARG 17 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3i8i s LYS 18 N -2.47 0.01 0.15 5.56 1.02 -1.04 -2.08 119.74 120.89 3i8i s LYS 18 Ca -0.34 0.36 0.11 0.00 0.02 0.00 0.00 55.97 56.11 3i8i s LYS 18 Cb 0.13 -0.28 -0.04 0.00 -0.52 0.00 0.00 37.83 37.11 3i8i s LYS 18 CO 0.44 -0.23 -0.26 0.96 -0.92 0.00 0.00 175.35 175.34 3i8i s ILE 19 N 1.56 2.28 -0.23 2.17 -0.00 -0.95 -0.33 121.20 125.71 3i8i s ILE 19 Ca -0.04 -1.85 -0.07 0.00 -0.00 0.00 0.00 60.65 58.69 3i8i s ILE 19 Cb -0.12 -2.04 -0.03 0.00 -0.00 0.00 0.00 42.46 40.27 3i8i s ILE 19 CO -0.04 0.02 0.06 -0.32 -0.00 0.00 0.00 174.94 174.66 3i8i s MET 20 N -2.26 3.75 0.13 0.37 -2.45 -0.72 -1.24 119.30 116.88 3i8i s MET 20 Ca 0.16 -0.44 -0.35 0.00 -1.25 0.00 0.00 55.69 53.81 3i8i s MET 20 Cb -0.09 -3.27 -0.15 0.00 1.25 0.00 0.00 34.83 32.57 3i8i s MET 20 CO 0.07 -0.04 1.52 0.00 1.05 0.00 0.00 175.02 177.63 3i8i n ILE 22 N 3.22 0.81 -4.16 0.00 2.08 0.11 -0.69 119.36 120.73 3i8i n ILE 22 Ca 0.17 -0.34 -0.10 0.00 0.56 0.00 0.00 62.75 63.04 3i8i n ILE 22 Cb 0.26 -0.95 -0.04 0.00 -0.75 0.00 0.00 39.64 38.16 3i8i n ILE 22 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 3i8i n ARG 23 N -2.83 0.26 -3.36 0.38 3.00 -1.19 -4.64 116.66 108.28 3i8i n ARG 23 Ca -0.24 -1.72 -0.14 0.00 -0.00 0.00 0.00 57.85 55.75 3i8i n ARG 23 Cb 0.79 1.37 -0.08 0.00 0.00 0.00 0.00 32.46 34.53 3i8i n ARG 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3i8i s VAL 24 N -2.67 -0.49 -1.00 5.15 0.11 -1.26 -3.39 120.40 116.85 3i8i s VAL 24 Ca 0.20 -0.40 -0.23 0.00 -2.93 0.00 0.00 61.98 58.61 3i8i s VAL 24 Cb 0.01 -0.98 -0.01 0.00 -1.53 0.00 0.00 36.38 33.87 3i8i s VAL 24 CO 0.14 -0.39 1.76 -0.76 -3.33 0.00 0.00 175.10 172.52 3i8i s LEU 25 N 2.43 3.32 0.00 2.54 1.43 -1.11 -4.61 118.68 122.69 3i8i s LEU 25 Ca 0.10 -1.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.02 3i8i s LEU 25 Cb -0.13 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.52 3i8i s LEU 25 CO -0.31 -2.23 0.00 0.29 0.23 0.00 0.00 176.35 174.33 3i8i n LYS 26 N 8.78 0.00 0.00 1.70 5.02 -1.26 -4.64 118.16 127.75 3i8i n LYS 26 Ca 0.39 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 3i8i n LYS 26 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.49 3i8i n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i8i n GLY 27 N 1.02 1.40 0.12 0.72 0.00 -1.26 -4.94 105.19 102.26 3i8i n GLY 27 Ca 0.00 -1.79 0.13 0.00 0.00 0.00 0.00 46.02 44.35 3i8i n GLY 27 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i8i h SER 28 N 0.00 0.00 -0.03 1.61 4.64 -2.02 -3.38 113.55 114.37 3i8i h SER 28 Ca 0.00 -0.03 -0.20 0.00 -0.47 0.00 0.00 61.79 61.09 3i8i h SER 28 Cb 0.00 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 61.93 3i8i h SER 28 CO 0.00 0.02 -0.35 -0.46 -0.87 0.00 0.00 176.83 175.17 3i8i n ASN 29 N -2.42 -1.55 -4.68 4.97 0.23 -1.26 -5.13 115.26 105.42 3i8i n ASN 29 Ca 0.05 -2.34 -0.42 0.00 -0.53 0.00 0.00 54.58 51.34 3i8i n ASN 29 Cb 0.46 0.80 0.00 0.00 -2.08 0.00 0.00 39.78 38.96 3i8i n ASN 29 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i8i n ALA 30 N -1.05 1.03 -0.09 -2.53 0.00 -1.26 -4.94 120.51 111.68 3i8i n ALA 30 Ca -0.10 0.30 -0.19 0.00 0.00 0.00 0.00 53.44 53.45 3i8i n ALA 30 Cb 0.86 -2.22 -0.12 0.00 0.00 0.00 0.00 19.45 17.97 3i8i n ALA 30 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3i8i h LYS 31 N 2.17 0.01 -5.01 0.00 1.63 -1.97 -3.48 116.57 109.92 3i8i h LYS 31 Ca -0.46 -0.01 -0.51 0.00 -0.85 0.00 0.00 60.65 58.82 3i8i h LYS 31 Cb 1.30 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 32.80 3i8i h LYS 31 CO 0.60 1.00 -0.54 0.71 -3.45 0.00 0.00 179.45 177.78 3i8i s TYR 32 N -2.32 1.76 0.08 1.91 1.51 -1.26 -4.79 117.35 114.23 3i8i s TYR 32 Ca -0.25 -1.29 0.08 0.00 -1.01 0.00 0.00 57.07 54.60 3i8i s TYR 32 Cb 0.03 -1.07 -0.03 0.00 -0.11 0.00 0.00 41.96 40.77 3i8i s TYR 32 CO 0.63 -0.35 -0.22 0.00 -1.11 0.00 0.00 175.55 174.50 3i8i s ALA 33 N -3.33 1.87 0.00 3.71 0.00 0.17 -4.86 121.76 119.31 3i8i s ALA 33 Ca 0.29 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 51.06 3i8i s ALA 33 Cb 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.84 3i8i s ALA 33 CO 0.16 0.40 0.00 -2.37 0.00 0.00 0.00 175.76 173.96 3i8i n THR 34 N 1.44 0.00 -2.46 0.00 5.66 -1.26 0.73 114.28 118.39 3i8i n THR 34 Ca -0.18 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.45 3i8i n THR 34 Cb 0.53 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.28 3i8i n THR 34 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 3i8i s VAL 35 N -0.71 3.53 0.00 1.08 -7.23 -1.26 -2.57 120.40 113.24 3i8i s VAL 35 Ca 0.00 1.21 0.00 0.00 -1.81 0.00 0.00 61.98 61.38 3i8i s VAL 35 Cb 0.00 -3.64 0.00 0.00 0.56 0.00 0.00 36.38 33.30 3i8i s VAL 35 CO 0.00 0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.44 3i8i n GLY 36 N 0.46 1.88 3.83 2.32 0.00 -0.94 -4.88 105.19 107.86 3i8i n GLY 36 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 3i8i n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i8i s ASP 37 N -3.32 6.75 0.21 1.61 1.01 -1.06 -4.89 116.67 116.99 3i8i s ASP 37 Ca 0.00 0.89 -0.04 0.00 0.71 0.00 0.00 52.55 54.11 3i8i s ASP 37 Cb 0.00 -2.23 -0.05 0.00 1.01 0.00 0.00 42.92 41.64 3i8i s ASP 37 CO 0.00 0.31 0.45 0.54 0.21 0.00 0.00 175.17 176.68 3i8i s VAL 38 N -0.91 5.11 0.32 -1.27 0.11 -1.26 -0.60 120.40 121.90 3i8i s VAL 38 Ca 0.23 -0.03 0.04 0.00 -2.93 0.00 0.00 61.98 59.29 3i8i s VAL 38 Cb -0.16 -3.69 -0.02 0.00 -1.53 0.00 0.00 36.38 30.98 3i8i s VAL 38 CO 0.12 -0.14 0.30 0.27 -3.33 0.00 0.00 175.10 172.32 3i8i s ILE 39 N -1.86 0.00 0.21 7.04 -4.36 0.11 -2.73 121.20 119.61 3i8i s ILE 39 Ca 0.42 -1.92 0.09 0.00 -0.26 0.00 0.00 60.65 58.98 3i8i s ILE 39 Cb -0.11 -2.52 -0.04 0.00 1.25 0.00 0.00 42.46 41.03 3i8i s ILE 39 CO 0.27 0.00 -0.06 -0.69 0.24 0.00 0.00 174.94 174.70 3i8i s VAL 40 N -3.46 3.30 0.23 8.37 1.01 -1.22 -2.12 120.40 126.52 3i8i s VAL 40 Ca 0.38 -1.76 -0.18 0.00 0.00 0.00 0.00 61.98 60.42 3i8i s VAL 40 Cb 0.02 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.74 3i8i s VAL 40 CO 0.24 -0.22 0.59 0.00 0.00 0.00 0.00 175.10 175.72 3i8i s ALA 41 N -1.97 -0.96 -0.20 5.51 0.00 0.02 0.06 121.76 124.23 3i8i s ALA 41 Ca 0.28 -0.33 -0.03 0.00 0.00 0.00 0.00 51.96 51.88 3i8i s ALA 41 Cb -0.08 0.90 -0.01 0.00 0.00 0.00 0.00 23.12 23.93 3i8i s ALA 41 CO 0.17 -0.90 -0.08 0.45 0.00 0.00 0.00 175.76 175.41 3i8i s SER 42 N -2.91 4.11 0.14 0.00 0.15 -0.72 -0.42 113.70 114.06 3i8i s SER 42 Ca 0.12 -0.41 -0.31 0.00 0.70 0.00 0.00 55.95 56.05 3i8i s SER 42 Cb -0.03 -1.69 -0.10 0.00 -1.71 0.00 0.00 66.02 62.49 3i8i s SER 42 CO 0.02 0.02 1.70 -0.69 1.20 0.00 0.00 173.24 175.49 3i8i s VAL 43 N 1.25 2.55 -0.04 4.45 1.01 -0.46 -1.76 120.40 127.40 3i8i s VAL 43 Ca 0.03 0.24 0.12 0.00 0.00 0.00 0.00 61.98 62.37 3i8i s VAL 43 Cb -0.14 -3.15 -0.18 0.00 0.00 0.00 0.00 36.38 32.90 3i8i s VAL 43 CO -0.03 0.01 0.22 0.29 0.00 0.00 0.00 175.10 175.59 3i8i n LYS 44 N 4.82 0.79 -3.75 2.72 4.76 0.55 -1.33 118.16 126.73 3i8i n LYS 44 Ca 0.16 -0.09 -0.12 0.00 -2.87 0.00 0.00 58.31 55.39 3i8i n LYS 44 Cb 0.38 -1.29 -0.12 0.00 -1.84 0.00 0.00 35.03 32.16 3i8i n LYS 44 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3i8i s GLU 45 N -2.72 0.32 0.15 1.97 2.12 -0.67 -4.91 118.70 114.96 3i8i s GLU 45 Ca -0.05 0.49 -0.13 0.00 0.36 0.00 0.00 54.97 55.64 3i8i s GLU 45 Cb 0.07 0.08 0.01 0.00 0.26 0.00 0.00 34.13 34.55 3i8i s GLU 45 CO 0.51 -0.08 0.35 0.00 -0.54 0.00 0.00 175.26 175.49 3i8i s ALA 46 N 0.56 -0.48 0.45 6.30 0.00 -1.26 0.55 121.76 127.89 3i8i s ALA 46 Ca -0.03 -0.49 -0.14 0.00 0.00 0.00 0.00 51.96 51.29 3i8i s ALA 46 Cb -0.05 0.76 -0.08 0.00 0.00 0.00 0.00 23.12 23.75 3i8i s ALA 46 CO -0.03 -0.66 0.88 -1.50 0.00 0.00 0.00 175.76 174.45 3i8i s ILE 47 N -3.89 4.63 0.45 0.00 1.10 0.37 -4.88 121.20 118.97 3i8i s ILE 47 Ca 0.10 0.99 -0.25 0.00 -0.51 0.00 0.00 60.65 60.98 3i8i s ILE 47 Cb 0.02 -3.71 -0.08 0.00 0.15 0.00 0.00 42.46 38.84 3i8i s ILE 47 CO -0.05 -0.57 1.37 -2.84 -2.11 0.00 0.00 174.94 170.74 3i8i s PRO 48 N -3.85 3.71 -1.74 3.50 0.02 -1.26 -2.95 135.00 132.42 3i8i s PRO 48 Ca 0.56 2.29 -0.19 0.00 0.02 0.00 0.00 61.00 63.67 3i8i s PRO 48 Cb -0.10 -2.63 0.17 0.00 0.02 0.00 0.00 34.50 31.96 3i8i s PRO 48 CO 0.29 -0.75 0.73 2.89 -0.33 0.00 0.00 177.00 179.83 3i8i n ARG 49 N -0.21 -2.60 -1.77 5.54 1.85 -1.26 -4.93 116.66 113.28 3i8i n ARG 49 Ca 0.05 0.32 -0.30 0.00 -1.00 0.00 0.00 57.85 56.93 3i8i n ARG 49 Cb 0.43 -4.98 0.17 0.00 -1.05 0.00 0.00 32.46 27.03 3i8i n ARG 49 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 3i8i s GLY 50 N -3.33 1.70 0.00 2.89 0.00 -1.15 -4.92 107.32 102.51 3i8i s GLY 50 Ca 0.73 -1.01 0.29 0.00 0.00 0.00 0.00 44.72 44.74 3i8i s GLY 50 CO 0.95 -0.29 1.92 0.00 0.00 0.00 0.00 173.10 175.68 3i8i n ALA 51 N -3.82 2.70 -3.76 3.20 0.00 -0.93 -4.68 120.51 113.22 3i8i n ALA 51 Ca 0.13 -0.24 -0.15 0.00 0.00 0.00 0.00 53.44 53.18 3i8i n ALA 51 Cb 0.60 -1.38 -0.16 0.00 0.00 0.00 0.00 19.45 18.51 3i8i n ALA 51 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i8i s VAL 52 N -2.48 -0.02 0.24 0.00 1.01 -0.94 -5.03 120.40 113.18 3i8i s VAL 52 Ca 0.29 0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.53 3i8i s VAL 52 Cb 0.20 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.43 3i8i s VAL 52 CO 0.47 0.10 0.31 -0.54 0.00 0.00 0.00 175.10 175.44 3i8i s LYS 53 N 1.09 3.29 0.41 2.72 3.01 -1.26 -4.47 119.74 124.52 3i8i s LYS 53 Ca -0.09 -0.85 -0.26 0.00 -1.01 0.00 0.00 55.97 53.77 3i8i s LYS 53 Cb -0.13 -2.80 -0.08 0.00 -1.01 0.00 0.00 37.83 33.81 3i8i s LYS 53 CO -0.03 0.42 1.26 -1.21 0.51 0.00 0.00 175.35 176.30 3i8i s GLU 54 N -3.94 3.97 0.00 1.68 2.02 -1.26 -3.07 118.70 118.09 3i8i s GLU 54 Ca 0.34 2.05 0.00 0.00 0.02 0.00 0.00 54.97 57.38 3i8i s GLU 54 Cb -0.09 -2.71 0.00 0.00 0.10 0.00 0.00 34.13 31.43 3i8i s GLU 54 CO 0.28 -0.46 0.00 0.41 0.02 0.00 0.00 175.26 175.51 3i8i n GLY 55 N 0.66 0.61 3.84 -1.39 0.00 -0.44 -4.98 105.19 103.49 3i8i n GLY 55 Ca 0.04 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 3i8i n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i8i s ASP 56 N -2.30 6.85 -0.15 1.61 -0.00 -1.18 -4.83 116.67 116.66 3i8i s ASP 56 Ca 0.00 1.05 -0.18 0.00 -0.00 0.00 0.00 52.55 53.42 3i8i s ASP 56 Cb 0.00 -2.28 -0.04 0.00 -0.00 0.00 0.00 42.92 40.60 3i8i s ASP 56 CO 0.00 0.21 0.46 -0.69 -0.00 0.00 0.00 175.17 175.15 3i8i s VAL 57 N -1.28 5.18 0.35 -1.27 1.01 -1.26 -1.35 120.40 121.77 3i8i s VAL 57 Ca 0.31 0.89 0.04 0.00 0.00 0.00 0.00 61.98 63.22 3i8i s VAL 57 Cb -0.16 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 3i8i s VAL 57 CO 0.17 0.28 0.14 0.68 0.00 0.00 0.00 175.10 176.38 3i8i s VAL 58 N 0.98 0.50 -0.27 2.92 -7.23 0.44 -4.94 120.40 112.79 3i8i s VAL 58 Ca 0.24 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.43 3i8i s VAL 58 Cb -0.15 -2.48 0.07 0.00 0.56 0.00 0.00 36.38 34.38 3i8i s VAL 58 CO 0.09 0.00 -0.05 -0.54 -0.31 0.00 0.00 175.10 174.29 3i8i s LYS 59 N -3.77 1.85 0.38 4.82 1.02 -1.26 -0.79 119.74 121.99 3i8i s LYS 59 Ca 0.32 -1.36 0.08 0.00 0.02 0.00 0.00 55.97 55.02 3i8i s LYS 59 Cb 0.04 -2.84 -0.07 0.00 -0.52 0.00 0.00 37.83 34.44 3i8i s LYS 59 CO 0.17 -0.68 0.03 0.00 -0.92 0.00 0.00 175.35 173.95 3i8i s ALA 60 N 1.15 3.23 -0.03 5.17 0.00 -0.90 0.15 121.76 130.53 3i8i s ALA 60 Ca -0.03 -2.15 0.05 0.00 0.00 0.00 0.00 51.96 49.83 3i8i s ALA 60 Cb -0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 3i8i s ALA 60 CO -0.07 -0.05 -0.18 0.54 0.00 0.00 0.00 175.76 176.00 3i8i s VAL 61 N -2.63 1.46 0.30 0.00 0.11 -0.44 0.04 120.40 119.24 3i8i s VAL 61 Ca 0.36 -0.75 -0.29 0.00 -2.93 0.00 0.00 61.98 58.36 3i8i s VAL 61 Cb 0.05 -1.24 -0.11 0.00 -1.53 0.00 0.00 36.38 33.56 3i8i s VAL 61 CO 0.19 0.42 1.48 -0.69 -3.33 0.00 0.00 175.10 173.16 3i8i s VAL 62 N -0.15 2.37 0.00 2.04 1.01 0.23 -1.48 120.40 124.43 3i8i s VAL 62 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.31 3i8i s VAL 62 Cb -0.10 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.07 3i8i s VAL 62 CO 0.01 0.06 0.00 1.33 0.00 0.00 0.00 175.10 176.50 3i8i n VAL 63 N 1.68 0.00 -3.87 2.92 0.24 -0.41 -2.23 118.33 116.66 3i8i n VAL 63 Ca 0.05 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.23 3i8i n VAL 63 Cb 0.39 -0.19 -0.13 0.00 -1.47 0.00 0.00 33.84 32.44 3i8i n VAL 63 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3i8i s ARG 64 N -1.34 0.09 0.03 7.34 0.52 -1.02 -3.12 118.95 121.45 3i8i s ARG 64 Ca 0.00 -0.04 -0.10 0.00 -0.52 0.00 0.00 55.73 55.07 3i8i s ARG 64 Cb 0.00 0.04 0.01 0.00 0.52 0.00 0.00 34.95 35.52 3i8i s ARG 64 CO 0.00 -0.01 0.20 -0.08 0.02 0.00 0.00 175.30 175.42 3i8i s THR 65 N -0.21 0.10 0.01 0.02 -1.32 -1.19 0.97 115.64 114.02 3i8i s THR 65 Ca -0.02 -0.81 -0.20 0.00 -1.21 0.00 0.00 61.69 59.45 3i8i s THR 65 Cb -0.02 -0.78 -0.22 0.00 -1.51 0.00 0.00 72.50 69.97 3i8i s THR 65 CO -0.00 -0.45 1.12 0.11 -2.21 0.00 0.00 174.62 173.19 3i8i h LYS 66 N 3.66 0.41 -6.25 7.08 1.79 -1.75 -1.36 116.57 120.15 3i8i h LYS 66 Ca -0.32 -0.41 -0.55 0.00 -2.18 0.00 0.00 60.65 57.20 3i8i h LYS 66 Cb 1.19 0.11 0.01 0.00 -1.58 0.00 0.00 32.23 31.96 3i8i h LYS 66 CO 0.46 1.07 1.27 0.21 -1.08 0.00 0.00 179.45 181.38 3i8i s LYS 67 N -3.31 3.85 0.25 3.15 2.47 -1.26 -4.32 119.74 120.58 3i8i s LYS 67 Ca -0.13 2.32 -0.30 0.00 -1.56 0.00 0.00 55.97 56.29 3i8i s LYS 67 Cb 0.04 -4.18 -0.14 0.00 -1.46 0.00 0.00 37.83 32.08 3i8i s LYS 67 CO 0.81 -1.27 1.15 -0.85 0.16 0.00 0.00 175.35 175.35 3i8i n GLU 68 N 7.82 1.50 -3.62 4.03 0.00 -1.26 -4.61 120.64 124.50 3i8i n GLU 68 Ca 0.22 0.53 -0.37 0.00 0.00 0.00 0.00 57.16 57.54 3i8i n GLU 68 Cb 0.43 -2.01 -0.06 0.00 0.00 0.00 0.00 31.44 29.80 3i8i n GLU 68 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3i8i s ILE 69 N -0.63 5.16 0.12 3.84 1.01 0.16 -4.90 121.20 125.96 3i8i s ILE 69 Ca 0.64 0.55 -0.02 0.00 0.00 0.00 0.00 60.65 61.82 3i8i s ILE 69 Cb -0.72 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 38.08 3i8i s ILE 69 CO 0.56 0.49 0.31 -0.54 0.00 0.00 0.00 174.94 175.76 3i8i s LYS 70 N -1.36 3.53 0.04 2.79 1.02 -1.26 -1.41 119.74 123.09 3i8i s LYS 70 Ca 0.25 -0.28 0.08 0.00 0.02 0.00 0.00 55.97 56.04 3i8i s LYS 70 Cb -0.15 -2.93 -0.03 0.00 -0.52 0.00 0.00 37.83 34.21 3i8i s LYS 70 CO 0.13 0.52 -0.21 1.03 -0.92 0.00 0.00 175.35 175.90 3i8i s ARG 71 N -2.70 1.98 0.65 1.68 1.81 0.42 -4.95 118.95 117.85 3i8i s ARG 71 Ca 0.38 -1.02 0.42 0.00 -1.72 0.00 0.00 55.73 53.78 3i8i s ARG 71 Cb -0.12 -2.11 2.26 0.00 -0.45 0.00 0.00 34.95 34.53 3i8i s ARG 71 CO 0.27 0.53 2.27 -1.00 -0.68 0.00 0.00 175.30 176.69 3i8i h PRO 72 N 4.68 0.00 -0.68 3.54 0.13 -1.99 -1.18 132.00 136.50 3i8i h PRO 72 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3i8i h PRO 72 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3i8i h PRO 72 CO 0.46 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.83 3i8i n ASP 73 N -3.01 2.42 0.00 1.44 5.75 -1.26 -4.86 116.55 117.04 3i8i n ASP 73 Ca -0.03 -2.25 0.00 0.00 -0.01 0.00 0.00 54.79 52.50 3i8i n ASP 73 Cb 0.12 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 39.75 3i8i n ASP 73 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i8i n GLY 74 N 0.44 1.57 3.96 6.12 0.00 -0.45 -5.04 105.19 111.79 3i8i n GLY 74 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 3i8i n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i8i s SER 75 N -3.21 6.32 0.25 1.61 1.04 -1.23 -4.85 113.70 113.62 3i8i s SER 75 Ca 0.00 0.21 0.06 0.00 0.48 0.00 0.00 55.95 56.71 3i8i s SER 75 Cb 0.00 -1.92 -0.05 0.00 0.10 0.00 0.00 66.02 64.14 3i8i s SER 75 CO 0.00 -0.14 -0.07 0.00 0.98 0.00 0.00 173.24 174.01 3i8i s ALA 76 N -2.07 2.16 -0.16 5.32 0.00 -1.26 0.16 121.76 125.91 3i8i s ALA 76 Ca 0.36 -1.82 -0.10 0.00 0.00 0.00 0.00 51.96 50.41 3i8i s ALA 76 Cb -0.09 0.17 0.05 0.00 0.00 0.00 0.00 23.12 23.25 3i8i s ALA 76 CO 0.31 -0.07 0.40 -1.50 0.00 0.00 0.00 175.76 174.90 3i8i s ILE 77 N -3.08 -0.02 0.05 0.00 -1.16 -0.50 -4.96 121.20 111.53 3i8i s ILE 77 Ca 0.27 0.08 0.01 0.00 -0.51 0.00 0.00 60.65 60.50 3i8i s ILE 77 Cb 0.03 -0.59 -0.03 0.00 0.61 0.00 0.00 42.46 42.49 3i8i s ILE 77 CO 0.10 0.03 -0.06 0.00 -2.81 0.00 0.00 174.94 172.21 3i8i s ARG 78 N 1.18 0.53 0.14 3.50 1.70 -1.26 -0.67 118.95 124.07 3i8i s ARG 78 Ca -0.08 -0.86 0.01 0.00 -0.47 0.00 0.00 55.73 54.33 3i8i s ARG 78 Cb -0.08 -0.10 0.01 0.00 -0.57 0.00 0.00 34.95 34.21 3i8i s ARG 78 CO -0.10 -0.01 0.07 1.19 -1.08 0.00 0.00 175.30 175.37 3i8i n PHE 79 N 1.10 -0.63 -1.07 5.89 3.01 -0.52 -5.02 117.46 120.22 3i8i n PHE 79 Ca -0.20 -0.65 0.04 0.00 1.01 0.00 0.00 57.45 57.64 3i8i n PHE 79 Cb 0.56 -0.11 0.27 0.00 -0.01 0.00 0.00 39.48 40.20 3i8i n PHE 79 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3i8i n ASP 80 N -1.61 4.03 -3.63 4.37 8.00 -1.26 -4.28 116.55 122.16 3i8i n ASP 80 Ca -0.03 -3.17 -0.04 0.00 0.71 0.00 0.00 54.79 52.26 3i8i n ASP 80 Cb 0.17 -0.61 -0.04 0.00 -0.02 0.00 0.00 41.12 40.61 3i8i n ASP 80 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 3i8i s ASP 81 N -1.75 -0.11 -0.12 -2.24 1.47 -1.26 -4.96 116.67 107.70 3i8i s ASP 81 Ca 0.46 0.12 -0.20 0.00 1.18 0.00 0.00 52.55 54.11 3i8i s ASP 81 Cb 0.38 0.09 -0.04 0.00 -0.34 0.00 0.00 42.92 43.01 3i8i s ASP 81 CO 0.09 -0.10 0.57 0.20 0.68 0.00 0.00 175.17 176.61 3i8i s ASN 82 N -1.00 6.76 0.14 2.11 -0.87 -1.25 -3.14 114.94 117.68 3i8i s ASN 82 Ca 0.07 0.92 0.04 0.00 -1.57 0.00 0.00 52.86 52.31 3i8i s ASN 82 Cb -0.01 -2.33 -0.04 0.00 -0.02 0.00 0.00 41.25 38.84 3i8i s ASN 82 CO -0.06 -0.09 -0.10 0.00 -2.57 0.00 0.00 177.10 174.28 3i8i s ALA 83 N 0.94 1.36 0.19 0.60 0.00 0.27 -1.19 121.76 123.94 3i8i s ALA 83 Ca 0.30 -1.45 0.01 0.00 0.00 0.00 0.00 51.96 50.81 3i8i s ALA 83 Cb -0.16 0.06 -0.00 0.00 0.00 0.00 0.00 23.12 23.02 3i8i s ALA 83 CO 0.12 -0.12 0.24 0.00 0.00 0.00 0.00 175.76 176.01 3i8i n ALA 84 N -0.13 -0.01 -3.68 0.00 0.00 0.00 -1.29 120.51 115.41 3i8i n ALA 84 Ca -0.11 -0.97 -0.15 0.00 0.00 0.00 0.00 53.44 52.21 3i8i n ALA 84 Cb 0.60 0.78 -0.15 0.00 0.00 0.00 0.00 19.45 20.69 3i8i n ALA 84 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i8i s VAL 85 N -2.68 -0.25 0.35 0.00 1.01 -0.55 -1.34 120.40 116.94 3i8i s VAL 85 Ca 0.18 0.31 -0.29 0.00 0.00 0.00 0.00 61.98 62.18 3i8i s VAL 85 Cb -0.00 -0.32 -0.11 0.00 0.00 0.00 0.00 36.38 35.94 3i8i s VAL 85 CO 0.13 0.13 1.49 -0.38 0.00 0.00 0.00 175.10 176.47 3i8i n ILE 86 N 5.11 1.71 -3.87 2.22 -0.00 -1.26 -1.33 119.36 121.94 3i8i n ILE 86 Ca -0.09 -0.43 -0.11 0.00 -0.00 0.00 0.00 62.75 62.12 3i8i n ILE 86 Cb 0.50 -1.90 -0.12 0.00 -0.00 0.00 0.00 39.64 38.12 3i8i n ILE 86 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.55 176.82 3i8i s ILE 87 N -0.79 0.04 0.89 1.39 -4.36 0.41 -1.42 121.20 117.36 3i8i s ILE 87 Ca 0.57 -0.31 -0.12 0.00 -0.26 0.00 0.00 60.65 60.52 3i8i s ILE 87 Cb -0.50 -0.22 0.13 0.00 1.25 0.00 0.00 42.46 43.12 3i8i s ILE 87 CO 0.59 -0.17 1.15 0.54 0.24 0.00 0.00 174.94 177.29 3i8i s ASN 88 N -0.53 3.68 0.00 4.36 2.20 0.21 -4.18 114.94 120.68 3i8i s ASN 88 Ca -0.06 0.89 0.00 0.00 -0.94 0.00 0.00 52.86 52.75 3i8i s ASN 88 Cb -0.04 -1.42 0.00 0.00 -2.00 0.00 0.00 41.25 37.79 3i8i s ASN 88 CO 0.00 -2.44 0.77 0.59 -2.94 0.00 0.00 177.10 173.08 3i8i n ASN 89 N -3.68 0.00 -1.06 3.54 3.02 -1.26 0.12 115.26 115.93 3i8i n ASN 89 Ca 0.07 0.29 0.12 0.00 -0.03 0.00 0.00 54.58 55.04 3i8i n ASN 89 Cb 0.60 -0.29 0.16 0.00 -0.61 0.00 0.00 39.78 39.64 3i8i n ASN 89 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i8i n GLN 90 N -1.27 2.43 -2.64 3.52 3.00 -1.26 -4.95 117.38 116.21 3i8i n GLN 90 Ca 0.00 -2.12 -0.07 0.00 -0.01 0.00 0.00 57.00 54.80 3i8i n GLN 90 Cb 0.06 -1.49 0.02 0.00 0.00 0.00 0.00 30.24 28.82 3i8i n GLN 90 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3i8i n LEU 91 N 1.43 -2.12 -4.48 1.08 7.99 0.32 -5.07 117.00 116.15 3i8i n LEU 91 Ca 0.17 -0.12 -0.31 0.00 -0.01 0.00 0.00 56.01 55.73 3i8i n LEU 91 Cb 0.61 -1.26 -0.12 0.00 -0.11 0.00 0.00 43.42 42.53 3i8i n LEU 91 CO 0.16 0.13 -0.47 -1.61 -1.51 0.00 0.00 177.39 174.09 3i8i s GLU 92 N -5.11 2.25 -0.06 3.23 2.02 -1.20 -4.84 118.70 114.99 3i8i s GLU 92 Ca 0.13 -0.87 -0.38 0.00 0.02 0.00 0.00 54.97 53.86 3i8i s GLU 92 Cb -0.06 -2.28 -0.17 0.00 0.10 0.00 0.00 34.13 31.73 3i8i s GLU 92 CO 0.16 0.57 1.47 -0.35 0.02 0.00 0.00 175.26 177.13 3i8i n PRO 93 N 1.72 1.05 0.02 0.39 -0.04 -1.26 -0.62 135.00 136.27 3i8i n PRO 93 Ca -0.16 0.38 -0.11 0.00 -0.04 0.00 0.00 63.50 63.57 3i8i n PRO 93 Cb 0.52 -2.03 0.02 0.00 -0.04 0.00 0.00 33.50 31.98 3i8i n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i8i h ARG 94 N 5.38 0.52 -6.31 0.54 3.08 -1.56 -3.44 114.38 112.59 3i8i h ARG 94 Ca -0.47 -0.39 -0.47 0.00 0.07 0.00 0.00 59.98 58.72 3i8i h ARG 94 Cb 1.34 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.45 3i8i h ARG 94 CO 0.84 1.01 -0.30 0.20 -1.07 0.00 0.00 179.97 180.65 3i8i s GLY 95 N -4.21 2.04 0.00 0.04 0.00 -1.26 -5.02 107.32 98.91 3i8i s GLY 95 Ca -0.07 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 42.86 3i8i s GLY 95 CO 0.85 -1.63 0.00 -1.30 0.00 0.00 0.00 173.10 171.02 3i8i n THR 96 N -1.75 0.00 -0.34 0.90 -2.24 -1.26 -4.94 114.28 104.65 3i8i n THR 96 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3i8i n THR 96 Cb 0.61 -1.57 0.00 0.00 -2.10 0.00 0.00 70.33 67.26 3i8i n THR 96 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3i8i n ARG 97 N -0.38 0.00 -4.32 -0.78 0.63 -1.26 -4.14 116.66 106.40 3i8i n ARG 97 Ca 0.00 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.75 3i8i n ARG 97 Cb 0.00 -0.13 -0.10 0.00 0.45 0.00 0.00 32.46 32.68 3i8i n ARG 97 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 3i8i s VAL 98 N -0.40 1.64 0.01 5.15 -7.23 -1.26 -3.25 120.40 115.07 3i8i s VAL 98 Ca 0.00 -2.14 0.07 0.00 -1.81 0.00 0.00 61.98 58.10 3i8i s VAL 98 Cb 0.00 -1.97 -0.02 0.00 0.56 0.00 0.00 36.38 34.95 3i8i s VAL 98 CO 0.00 -0.59 -0.21 -0.36 -0.31 0.00 0.00 175.10 173.63 3i8i s PHE 99 N -2.91 1.89 0.00 2.82 0.08 -0.90 -4.63 117.98 114.33 3i8i s PHE 99 Ca 0.20 -0.37 0.00 0.00 0.12 0.00 0.00 56.93 56.89 3i8i s PHE 99 Cb -0.01 -1.18 0.00 0.00 -0.57 0.00 0.00 43.02 41.26 3i8i s PHE 99 CO 0.06 0.02 0.00 0.41 -0.10 0.00 0.00 175.22 175.61 3i8i n GLY 100 N 2.28 -0.44 3.81 4.36 0.00 -1.26 -4.76 105.19 109.17 3i8i n GLY 100 Ca -0.16 -1.82 -0.29 0.00 0.00 0.00 0.00 46.02 43.74 3i8i n GLY 100 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i8i s PRO 101 N -1.03 0.57 0.09 1.61 0.02 -1.26 -3.98 135.00 131.01 3i8i s PRO 101 Ca 0.00 -0.06 -0.19 0.00 0.02 0.00 0.00 61.00 60.77 3i8i s PRO 101 Cb 0.00 -1.80 0.04 0.00 0.02 0.00 0.00 34.50 32.76 3i8i s PRO 101 CO 0.00 -2.52 0.46 0.14 -0.33 0.00 0.00 177.00 174.75 3i8i s VAL 102 N -3.48 0.05 0.11 3.83 -7.23 -0.86 -4.84 120.40 107.98 3i8i s VAL 102 Ca 0.69 -0.39 -0.19 0.00 -1.81 0.00 0.00 61.98 60.28 3i8i s VAL 102 Cb -0.09 -1.04 -0.07 0.00 0.56 0.00 0.00 36.38 35.74 3i8i s VAL 102 CO 0.53 -0.21 0.61 0.00 -0.31 0.00 0.00 175.10 175.72 3i8i s ALA 103 N -3.08 3.55 0.58 1.32 0.00 -1.18 -0.80 121.76 122.16 3i8i s ALA 103 Ca -0.02 0.07 0.29 0.00 0.00 0.00 0.00 51.96 52.30 3i8i s ALA 103 Cb 0.00 -2.68 1.46 0.00 0.00 0.00 0.00 23.12 21.90 3i8i s ALA 103 CO -0.07 0.39 1.87 0.00 0.00 0.00 0.00 175.76 177.95 3i8i h ARG 104 N 4.24 0.00 -1.07 0.00 3.08 -0.65 0.53 114.38 120.51 3i8i h ARG 104 Ca -0.49 0.00 0.29 0.00 0.07 0.00 0.00 59.98 59.85 3i8i h ARG 104 Cb 1.21 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.16 3i8i h ARG 104 CO 0.64 0.00 0.69 0.93 -1.07 0.00 0.00 179.97 181.16 3i8i h GLU 105 N 0.00 0.34 -0.60 0.04 3.07 -1.92 0.49 114.58 116.00 3i8i h GLU 105 Ca 0.25 -0.02 0.10 0.00 -0.50 0.00 0.00 59.36 59.19 3i8i h GLU 105 Cb 1.31 -0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 29.11 3i8i h GLU 105 CO -0.00 0.23 0.41 -0.07 -1.40 0.00 0.00 179.01 178.17 3i8i h LEU 106 N 0.35 0.35 0.30 1.33 3.38 -1.22 0.20 115.31 119.99 3i8i h LEU 106 Ca 0.63 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.60 3i8i h LEU 106 Cb 1.65 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.34 3i8i h LEU 106 CO -0.33 0.21 -0.14 -0.09 0.09 0.00 0.00 178.44 178.18 3i8i h ARG 107 N 0.39 -0.38 -0.43 1.13 2.43 -0.21 0.26 114.38 117.57 3i8i h ARG 107 Ca 0.28 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.54 3i8i h ARG 107 Cb 0.58 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 3i8i h ARG 107 CO -0.08 -0.09 0.29 0.93 -1.51 0.00 0.00 179.97 179.51 3i8i h GLU 108 N -0.66 0.33 0.00 0.20 5.08 -1.05 0.12 114.58 118.60 3i8i h GLU 108 Ca -0.04 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3i8i h GLU 108 Cb 0.46 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3i8i h GLU 108 CO 0.07 0.22 -0.11 1.63 -1.00 0.00 0.00 179.01 179.81 3i8i n LYS 109 N -4.48 0.15 0.00 2.33 4.76 0.57 -4.94 118.16 116.55 3i8i n LYS 109 Ca 0.06 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.60 3i8i n LYS 109 Cb 0.25 -1.65 0.00 0.00 -1.84 0.00 0.00 35.03 31.79 3i8i n LYS 109 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i8i n GLY 110 N 1.40 1.07 2.78 0.72 0.00 0.42 -5.03 105.19 106.55 3i8i n GLY 110 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3i8i n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i8i n PHE 111 N -1.76 2.70 0.00 1.61 3.72 0.83 -4.88 117.46 119.69 3i8i n PHE 111 Ca 0.00 -2.74 0.00 0.00 -0.05 0.00 0.00 57.45 54.66 3i8i n PHE 111 Cb 0.00 -1.75 0.00 0.00 -0.94 0.00 0.00 39.48 36.79 3i8i n PHE 111 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3i8i n MET 112 N 2.65 0.00 -0.27 -1.08 2.81 -1.26 -2.43 117.12 117.54 3i8i n MET 112 Ca 0.43 0.26 0.01 0.00 -1.81 0.00 0.00 57.70 56.59 3i8i n MET 112 Cb 0.32 -1.04 0.05 0.00 -0.71 0.00 0.00 33.22 31.85 3i8i n MET 112 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 3i8i n LYS 113 N -0.86 -0.14 0.07 0.03 4.81 -1.26 -0.29 118.16 120.52 3i8i n LYS 113 Ca 0.00 1.13 -0.13 0.00 -0.87 0.00 0.00 58.31 58.44 3i8i n LYS 113 Cb 0.00 -1.68 -0.06 0.00 0.02 0.00 0.00 35.03 33.32 3i8i n LYS 113 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 3i8i h ILE 114 N 0.00 0.24 -0.14 3.15 1.08 -1.97 0.16 117.51 120.03 3i8i h ILE 114 Ca 0.28 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.80 3i8i h ILE 114 Cb 0.47 0.24 -0.01 0.00 -3.07 0.00 0.00 36.82 34.45 3i8i h ILE 114 CO -0.73 0.00 0.16 -0.37 -0.69 0.00 0.00 178.15 176.51 3i8i h VAL 115 N -0.53 0.51 0.00 1.67 -1.51 -0.30 -2.17 116.25 113.92 3i8i h VAL 115 Ca 0.05 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.52 3i8i h VAL 115 Cb 0.60 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 30.64 3i8i h VAL 115 CO -0.28 0.00 0.00 -0.24 -1.23 0.00 0.00 177.57 175.82 3i8i n SER 116 N -3.85 0.00 0.00 4.19 2.88 0.40 -2.98 113.62 114.25 3i8i n SER 116 Ca 0.01 0.84 0.00 0.00 -1.33 0.00 0.00 58.87 58.38 3i8i n SER 116 Cb 0.27 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 3i8i n SER 116 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3i8i n LEU 117 N -1.92 0.00 -4.75 2.46 4.32 -0.18 -4.65 117.00 112.28 3i8i n LEU 117 Ca 0.00 0.14 -0.40 0.00 -0.02 0.00 0.00 56.01 55.73 3i8i n LEU 117 Cb 0.00 -0.14 -0.05 0.00 -1.62 0.00 0.00 43.42 41.61 3i8i n LEU 117 CO 0.00 -0.14 0.77 0.00 -1.22 0.00 0.00 177.39 176.80 3i8i s ALA 118 N -2.10 3.39 0.23 -1.18 0.00 -0.89 -4.03 121.76 117.18 3i8i s ALA 118 Ca 0.00 0.84 0.13 0.00 0.00 0.00 0.00 51.96 52.92 3i8i s ALA 118 Cb 0.00 -3.31 0.40 0.00 0.00 0.00 0.00 23.12 20.21 3i8i s ALA 118 CO 0.00 -0.11 1.62 -1.00 0.00 0.00 0.00 175.76 176.27 3i8i h PRO 119 N 4.13 0.00 -2.30 0.00 0.13 -1.82 -3.44 132.00 128.69 3i8i h PRO 119 Ca -0.46 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.63 3i8i h PRO 119 Cb 1.21 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.10 3i8i h PRO 119 CO 0.68 0.57 -0.18 -2.00 -0.23 0.00 0.00 178.00 176.85 3i8i s GLU 120 N -3.55 0.52 -0.14 0.86 2.12 -1.26 -5.06 118.70 112.18 3i8i s GLU 120 Ca -0.01 1.08 -0.04 0.00 0.36 0.00 0.00 54.97 56.37 3i8i s GLU 120 Cb 0.12 0.23 -0.03 0.00 0.26 0.00 0.00 34.13 34.71 3i8i s GLU 120 CO 0.75 -0.18 -0.02 0.08 -0.54 0.00 0.00 175.26 175.35 3i8i s VAL 121 N 1.92 4.07 0.00 3.70 1.01 -1.26 -2.04 120.40 127.80 3i8i s VAL 121 Ca -0.08 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.60 3i8i s VAL 121 Cb -0.08 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.53 3i8i s VAL 121 CO -0.16 0.52 0.11 0.18 0.00 0.00 0.00 175.10 175.75