#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n1o s LEU 44 N 0.00 5.45 -0.18 -0.35 1.43 -1.26 -5.03 118.68 118.73 3n1o s LEU 44 Ca 0.00 -1.30 -0.23 0.00 -1.03 0.00 0.00 54.13 51.57 3n1o s LEU 44 Cb 0.00 -2.30 -0.02 0.00 0.03 0.00 0.00 46.19 43.90 3n1o s LEU 44 CO 0.00 -0.89 0.73 -0.69 0.23 0.00 0.00 176.35 175.73 3n1o s VAL 45 N 2.23 4.95 0.71 -1.59 1.01 -1.26 -5.04 120.40 121.43 3n1o s VAL 45 Ca 0.09 1.41 -0.15 0.00 0.00 0.00 0.00 61.98 63.33 3n1o s VAL 45 Cb -0.24 -4.04 0.03 0.00 0.00 0.00 0.00 36.38 32.13 3n1o s VAL 45 CO 0.08 0.08 1.20 -2.16 0.00 0.00 0.00 175.10 174.29 3n1o s PRO 46 N 1.99 2.26 0.37 2.72 0.04 -1.26 -4.80 135.00 136.30 3n1o s PRO 46 Ca 0.34 1.74 -0.26 0.00 0.04 0.00 0.00 61.00 62.86 3n1o s PRO 46 Cb -0.16 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.44 3n1o s PRO 46 CO 0.12 -1.74 1.06 -0.51 0.04 0.00 0.00 177.00 175.97 3n1o s LEU 47 N -5.04 4.26 0.52 -3.56 1.43 -0.18 -4.90 118.68 111.19 3n1o s LEU 47 Ca 0.74 2.10 -0.15 0.00 -1.03 0.00 0.00 54.13 55.79 3n1o s LEU 47 Cb -0.29 -4.03 -0.07 0.00 0.03 0.00 0.00 46.19 41.84 3n1o s LEU 47 CO 0.44 -0.39 0.97 0.00 0.23 0.00 0.00 176.35 177.60 3n1o s ALA 48 N -1.51 3.10 0.25 4.21 0.00 -1.26 -4.49 121.76 122.05 3n1o s ALA 48 Ca 0.54 0.11 -0.31 0.00 0.00 0.00 0.00 51.96 52.30 3n1o s ALA 48 Cb -0.25 -3.08 -0.13 0.00 0.00 0.00 0.00 23.12 19.67 3n1o s ALA 48 CO 0.31 -0.27 1.51 0.98 0.00 0.00 0.00 175.76 178.29 3n1o n TYR 49 N -1.70 2.45 -0.69 0.00 9.36 -1.26 -0.96 117.16 124.36 3n1o n TYR 49 Ca 0.06 0.33 0.00 0.00 3.32 0.00 0.00 57.90 61.61 3n1o n TYR 49 Cb 0.54 -2.53 0.00 0.00 -0.63 0.00 0.00 39.34 36.72 3n1o n TYR 49 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3n1o n LYS 50 N 2.33 0.00 -2.84 2.98 4.76 -0.59 -5.00 118.16 119.80 3n1o n LYS 50 Ca 0.11 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.19 3n1o n LYS 50 Cb 0.33 -2.68 -0.07 0.00 -1.84 0.00 0.00 35.03 30.78 3n1o n LYS 50 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 3n1o s GLN 51 N -0.15 4.45 0.05 1.97 0.74 -0.13 -4.82 119.66 121.77 3n1o s GLN 51 Ca 0.00 1.21 0.02 0.00 0.05 0.00 0.00 55.36 56.64 3n1o s GLN 51 Cb 0.00 -2.66 -0.03 0.00 1.10 0.00 0.00 33.01 31.42 3n1o s GLN 51 CO 0.00 0.22 -0.08 -0.59 -0.55 0.00 0.00 175.29 174.30 3n1o s PHE 52 N -1.74 0.69 -0.04 1.67 -0.71 -1.26 -1.14 117.98 115.44 3n1o s PHE 52 Ca 0.52 -0.55 -0.02 0.00 -1.04 0.00 0.00 56.93 55.84 3n1o s PHE 52 Cb -0.16 -0.41 0.03 0.00 -1.21 0.00 0.00 43.02 41.27 3n1o s PHE 52 CO 0.21 -0.10 0.09 0.45 -1.34 0.00 0.00 175.22 174.53 3n1o s SER 53 N -1.75 0.16 0.92 1.98 0.15 0.28 -3.60 113.70 111.84 3n1o s SER 53 Ca -0.08 0.16 -0.11 0.00 0.70 0.00 0.00 55.95 56.63 3n1o s SER 53 Cb -0.08 0.05 0.14 0.00 -1.71 0.00 0.00 66.02 64.42 3n1o s SER 53 CO -0.00 -0.16 1.10 -2.16 1.20 0.00 0.00 173.24 173.22 3n1o s PRO 54 N 1.32 1.03 0.00 5.44 0.04 -1.26 -0.99 135.00 140.57 3n1o s PRO 54 Ca -0.07 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.09 3n1o s PRO 54 Cb -0.12 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.66 3n1o s PRO 54 CO -0.04 -2.48 1.05 -1.71 0.04 0.00 0.00 177.00 173.85 3n1o n ASN 55 N -4.09 2.91 -4.39 6.66 5.15 -1.24 -4.76 115.26 115.50 3n1o n ASN 55 Ca 0.08 -1.69 -0.20 0.00 -0.60 0.00 0.00 54.58 52.18 3n1o n ASN 55 Cb 0.54 -0.57 -0.10 0.00 -0.53 0.00 0.00 39.78 39.11 3n1o n ASN 55 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3n1o s VAL 56 N 0.48 1.54 0.61 3.44 -7.23 -1.26 -5.07 120.40 112.91 3n1o s VAL 56 Ca 0.00 -2.12 -0.18 0.00 -1.81 0.00 0.00 61.98 57.87 3n1o s VAL 56 Cb 0.00 -2.36 -0.07 0.00 0.56 0.00 0.00 36.38 34.52 3n1o s VAL 56 CO 0.00 -0.36 0.58 -2.65 -0.31 0.00 0.00 175.10 172.36 3n1o n PRO 57 N -0.51 0.51 0.16 4.82 -0.02 -1.26 -4.90 135.00 133.79 3n1o n PRO 57 Ca -0.06 0.21 -0.14 0.00 -2.02 0.00 0.00 63.50 61.49 3n1o n PRO 57 Cb 0.63 -1.80 -0.08 0.00 -0.02 0.00 0.00 33.50 32.23 3n1o n PRO 57 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3n1o h GLU 58 N 0.11 -0.33 -1.42 -0.52 4.81 -1.95 -3.25 114.58 112.03 3n1o h GLU 58 Ca -0.46 0.02 -0.22 0.00 -0.13 0.00 0.00 59.36 58.58 3n1o h GLU 58 Cb 1.38 0.07 -0.10 0.00 0.63 0.00 0.00 28.75 30.73 3n1o h GLU 58 CO 0.46 -0.16 0.28 1.63 -0.73 0.00 0.00 179.01 180.49 3n1o n LYS 59 N -5.20 1.53 -4.13 1.92 5.02 -1.26 -1.22 118.16 114.82 3n1o n LYS 59 Ca -0.10 -1.11 -0.24 0.00 -2.02 0.00 0.00 58.31 54.85 3n1o n LYS 59 Cb 0.18 -1.43 -0.07 0.00 -0.02 0.00 0.00 35.03 33.69 3n1o n LYS 59 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3n1o s THR 60 N -1.49 2.59 0.08 -0.18 -4.23 -1.23 -2.88 115.64 108.31 3n1o s THR 60 Ca 0.22 -1.72 -0.24 0.00 -1.18 0.00 0.00 61.69 58.76 3n1o s THR 60 Cb 0.17 -2.96 -0.10 0.00 1.34 0.00 0.00 72.50 70.95 3n1o s THR 60 CO 0.01 -0.09 1.39 -0.07 -0.54 0.00 0.00 174.62 175.33 3n1o h LEU 61 N 1.51 -1.17 -1.41 4.79 3.38 -1.89 0.24 115.31 120.77 3n1o h LEU 61 Ca -0.43 0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3n1o h LEU 61 Cb 1.25 0.44 0.00 0.00 0.09 0.00 0.00 40.66 42.44 3n1o h LEU 61 CO 0.67 -0.38 0.00 0.61 0.09 0.00 0.00 178.44 179.43 3n1o n GLY 62 N -1.33 -0.93 0.00 0.83 0.00 -1.26 -4.22 105.19 98.29 3n1o n GLY 62 Ca -0.05 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3n1o n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n1o n ALA 63 N -1.79 0.00 1.25 4.61 0.00 -0.13 -4.93 120.51 119.51 3n1o n ALA 63 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.56 3n1o n ALA 63 Cb 0.06 0.00 0.47 0.00 0.00 0.00 0.00 19.45 19.98 3n1o n ALA 63 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3n1o n SER 64 N 0.00 0.61 -0.30 0.00 7.64 -0.36 -4.64 113.62 116.58 3n1o n SER 64 Ca 0.00 -0.52 0.03 0.00 1.01 0.00 0.00 58.87 59.39 3n1o n SER 64 Cb 0.00 0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.21 3n1o n SER 64 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3n1o n GLY 65 N 1.36 -2.12 3.81 0.23 0.00 -0.11 -3.63 105.19 104.74 3n1o n GLY 65 Ca 0.11 -1.43 -0.33 0.00 0.00 0.00 0.00 46.02 44.37 3n1o n GLY 65 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3n1o s ARG 66 N -0.99 4.14 0.26 1.61 1.70 -1.14 -3.70 118.95 120.83 3n1o s ARG 66 Ca 0.00 1.19 -0.30 0.00 -0.47 0.00 0.00 55.73 56.15 3n1o s ARG 66 Cb 0.00 -2.19 -0.14 0.00 -0.57 0.00 0.00 34.95 32.05 3n1o s ARG 66 CO 0.00 -0.12 1.17 0.98 -1.08 0.00 0.00 175.30 176.26 3n1o n TYR 67 N -0.67 1.62 -1.07 5.89 9.36 -1.26 -4.90 117.16 126.13 3n1o n TYR 67 Ca 0.07 0.62 0.09 0.00 3.32 0.00 0.00 57.90 62.00 3n1o n TYR 67 Cb 0.53 -2.33 0.19 0.00 -0.63 0.00 0.00 39.34 37.11 3n1o n TYR 67 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 3n1o n GLU 68 N 1.24 1.98 0.00 2.98 -0.58 -1.26 -5.09 120.64 119.92 3n1o n GLU 68 Ca 0.11 -2.73 0.00 0.00 -0.42 0.00 0.00 57.16 54.12 3n1o n GLU 68 Cb 0.31 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 3n1o n GLU 68 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3n1o n GLY 69 N -1.04 0.77 3.76 0.62 0.00 -1.26 -5.01 105.19 103.03 3n1o n GLY 69 Ca 0.19 -1.57 -0.36 0.00 0.00 0.00 0.00 46.02 44.28 3n1o n GLY 69 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3n1o s LYS 70 N -4.39 3.19 -0.34 1.61 2.20 -1.26 -4.62 119.74 116.14 3n1o s LYS 70 Ca 0.00 1.84 -0.00 0.00 -0.36 0.00 0.00 55.97 57.45 3n1o s LYS 70 Cb 0.00 -2.07 0.08 0.00 -1.51 0.00 0.00 37.83 34.33 3n1o s LYS 70 CO 0.00 -1.03 0.06 0.42 -0.36 0.00 0.00 175.35 174.44 3n1o s ILE 71 N -1.57 2.81 0.41 5.43 1.01 0.30 -4.95 121.20 124.64 3n1o s ILE 71 Ca 0.74 -1.85 -0.04 0.00 0.00 0.00 0.00 60.65 59.49 3n1o s ILE 71 Cb -0.30 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 3n1o s ILE 71 CO 0.34 -0.39 0.70 0.00 0.00 0.00 0.00 174.94 175.59 3n1o s ALA 72 N 1.12 3.50 0.31 9.38 0.00 -1.26 -4.78 121.76 130.02 3n1o s ALA 72 Ca 0.02 -0.57 0.08 0.00 0.00 0.00 0.00 51.96 51.49 3n1o s ALA 72 Cb -0.21 -2.45 0.86 0.00 0.00 0.00 0.00 23.12 21.32 3n1o s ALA 72 CO -0.04 -0.15 1.71 0.00 0.00 0.00 0.00 175.76 177.27 3n1o h ARG 73 N 0.67 0.46 -0.11 0.00 3.08 -1.99 -1.07 114.38 115.43 3n1o h ARG 73 Ca -0.48 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.55 3n1o h ARG 73 Cb 1.20 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.15 3n1o h ARG 73 CO 0.62 0.31 0.00 -1.13 -1.07 0.00 0.00 179.97 178.70 3n1o n SER 74 N -4.97 0.65 -4.87 7.04 3.41 -1.26 -4.82 113.62 108.79 3n1o n SER 74 Ca 0.26 -1.89 -0.32 0.00 -0.26 0.00 0.00 58.87 56.66 3n1o n SER 74 Cb 0.75 -0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 64.57 3n1o n SER 74 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3n1o s SER 75 N -1.13 6.64 0.43 4.04 0.15 -0.40 -4.97 113.70 118.46 3n1o s SER 75 Ca 0.13 0.94 0.17 0.00 0.70 0.00 0.00 55.95 57.89 3n1o s SER 75 Cb 0.07 -2.24 0.98 0.00 -1.71 0.00 0.00 66.02 63.12 3n1o s SER 75 CO 0.10 -0.07 1.94 1.05 1.20 0.00 0.00 173.24 177.46 3n1o h GLU 76 N 2.60 0.00 -0.10 5.44 -0.00 -1.89 -2.16 114.58 118.48 3n1o h GLU 76 Ca -0.47 0.00 0.03 0.00 -0.00 0.00 0.00 59.36 58.92 3n1o h GLU 76 Cb 1.17 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.92 3n1o h GLU 76 CO 0.69 0.25 0.15 0.00 -0.00 0.00 0.00 179.01 180.09 3n1o h ARG 77 N 0.00 0.00 -1.11 1.06 2.47 -1.93 -2.81 114.38 112.07 3n1o h ARG 77 Ca -0.00 0.00 0.32 0.00 -1.26 0.00 0.00 59.98 59.04 3n1o h ARG 77 Cb 0.47 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.74 3n1o h ARG 77 CO 0.03 0.00 0.79 0.35 0.56 0.00 0.00 179.97 181.70 3n1o h PHE 78 N 0.00 0.05 0.00 3.04 3.57 -1.63 0.58 116.94 122.54 3n1o h PHE 78 Ca 0.05 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3n1o h PHE 78 Cb 0.34 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.07 3n1o h PHE 78 CO 0.00 0.00 0.00 1.63 -2.23 0.00 0.00 178.31 177.71 3n1o n LYS 79 N -4.23 0.03 0.15 1.11 4.01 -1.06 -1.58 118.16 116.59 3n1o n LYS 79 Ca 0.24 0.26 0.00 0.00 -0.51 0.00 0.00 58.31 58.30 3n1o n LYS 79 Cb 1.15 -1.50 0.19 0.00 -0.51 0.00 0.00 35.03 34.37 3n1o n LYS 79 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 3n1o h GLU 80 N 0.00 0.00 -7.13 1.97 5.08 -0.07 -3.45 114.58 110.99 3n1o h GLU 80 Ca 0.00 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.89 3n1o h GLU 80 Cb 0.20 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.48 3n1o h GLU 80 CO 0.00 0.57 0.38 -0.51 -1.00 0.00 0.00 179.01 178.45 3n1o s LEU 81 N -7.39 3.72 -0.07 1.33 1.43 -0.61 -4.46 118.68 112.62 3n1o s LEU 81 Ca -0.01 1.82 -0.08 0.00 -1.03 0.00 0.00 54.13 54.84 3n1o s LEU 81 Cb 0.12 -4.54 0.02 0.00 0.03 0.00 0.00 46.19 41.82 3n1o s LEU 81 CO 0.75 -0.83 0.21 0.28 0.23 0.00 0.00 176.35 176.98 3n1o s THR 82 N -2.24 0.01 0.35 5.49 -1.32 0.10 -4.86 115.64 113.17 3n1o s THR 82 Ca 0.64 -0.05 -0.27 0.00 -1.21 0.00 0.00 61.69 60.81 3n1o s THR 82 Cb -0.15 -0.32 -0.09 0.00 -1.51 0.00 0.00 72.50 70.44 3n1o s THR 82 CO 0.26 -0.03 1.17 -2.84 -2.21 0.00 0.00 174.62 170.98 3n1o s PRO 83 N 0.00 4.27 -0.31 7.08 0.02 -1.26 -2.25 135.00 142.55 3n1o s PRO 83 Ca -0.01 1.89 -0.06 0.00 0.02 0.00 0.00 61.00 62.84 3n1o s PRO 83 Cb -0.02 -2.88 0.03 0.00 0.02 0.00 0.00 34.50 31.64 3n1o s PRO 83 CO 0.00 -0.14 0.08 1.21 -0.33 0.00 0.00 177.00 177.82 3n1o s ASN 84 N -0.96 5.17 -0.25 2.53 3.04 0.53 -4.97 114.94 120.03 3n1o s ASN 84 Ca 0.52 -0.94 0.13 0.00 0.04 0.00 0.00 52.86 52.61 3n1o s ASN 84 Cb -0.32 -1.86 0.59 0.00 -1.54 0.00 0.00 41.25 38.12 3n1o s ASN 84 CO 0.41 -0.26 1.55 -1.22 -3.04 0.00 0.00 177.10 174.55 3n1o n TYR 85 N 4.82 1.43 -1.63 0.43 4.01 -1.26 -4.84 117.16 120.12 3n1o n TYR 85 Ca -0.14 -1.13 -0.53 0.00 -0.16 0.00 0.00 57.90 55.94 3n1o n TYR 85 Cb 0.46 -0.47 -0.06 0.00 -0.31 0.00 0.00 39.34 38.96 3n1o n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3n1o n ASN 86 N -0.54 2.70 0.14 7.72 2.85 -1.26 -4.81 115.26 122.07 3n1o n ASN 86 Ca 0.30 0.87 0.12 0.00 -0.11 0.00 0.00 54.58 55.76 3n1o n ASN 86 Cb 1.07 -1.25 0.52 0.00 1.24 0.00 0.00 39.78 41.36 3n1o n ASN 86 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3n1o h PRO 87 N 9.27 0.00 -0.31 1.20 0.13 -2.04 -2.91 132.00 137.33 3n1o h PRO 87 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 3n1o h PRO 87 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 3n1o h PRO 87 CO 0.97 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.49 3n1o n ASP 88 N -2.30 4.06 -4.22 1.44 8.00 -1.26 -4.90 116.55 117.37 3n1o n ASP 88 Ca 0.02 -2.92 -0.31 0.00 0.71 0.00 0.00 54.79 52.29 3n1o n ASP 88 Cb 0.21 -0.54 -0.17 0.00 -0.02 0.00 0.00 41.12 40.60 3n1o n ASP 88 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3n1o s ILE 89 N -2.66 1.95 -0.28 0.53 1.01 -1.10 -4.06 121.20 116.59 3n1o s ILE 89 Ca 0.42 -0.98 -0.21 0.00 0.00 0.00 0.00 60.65 59.89 3n1o s ILE 89 Cb 0.33 -1.68 -0.01 0.00 0.01 0.00 0.00 42.46 41.11 3n1o s ILE 89 CO 0.11 0.54 0.67 -0.63 0.00 0.00 0.00 174.94 175.62 3n1o s ILE 90 N 0.18 4.93 -0.33 2.92 -1.09 0.04 -4.92 121.20 122.92 3n1o s ILE 90 Ca -0.13 1.07 -0.12 0.00 -2.23 0.00 0.00 60.65 59.25 3n1o s ILE 90 Cb -0.16 -4.00 -0.02 0.00 -1.58 0.00 0.00 42.46 36.70 3n1o s ILE 90 CO 0.06 -0.08 0.22 -0.36 -1.23 0.00 0.00 174.94 173.56 3n1o s PHE 91 N 2.63 3.22 0.20 3.97 0.08 -1.26 0.00 117.98 126.83 3n1o s PHE 91 Ca 0.27 -0.18 -0.10 0.00 0.12 0.00 0.00 56.93 57.05 3n1o s PHE 91 Cb -0.15 -2.45 0.24 0.00 -0.57 0.00 0.00 43.02 40.10 3n1o s PHE 91 CO 0.10 -0.33 1.77 -0.22 -0.10 0.00 0.00 175.22 176.44 3n1o h LYS 92 N 8.45 0.50 -6.03 0.44 3.64 -1.34 -3.47 116.57 118.77 3n1o h LYS 92 Ca -0.32 -0.03 -0.41 0.00 -1.27 0.00 0.00 60.65 58.62 3n1o h LYS 92 Cb 1.16 -0.11 0.07 0.00 -0.41 0.00 0.00 32.23 32.94 3n1o h LYS 92 CO 0.62 0.33 -0.81 -3.47 -2.27 0.00 0.00 179.45 173.85 3n1o n ASP 93 N -4.90 -1.72 -0.07 4.20 2.03 -1.26 -4.89 116.55 109.94 3n1o n ASP 93 Ca 0.08 -0.78 0.00 0.00 0.52 0.00 0.00 54.79 54.62 3n1o n ASP 93 Cb 0.22 -4.23 0.30 0.00 -0.72 0.00 0.00 41.12 36.68 3n1o n ASP 93 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3n1o h GLU 94 N -1.91 0.68 0.00 -0.67 4.11 -1.90 -1.35 114.58 113.53 3n1o h GLU 94 Ca -0.60 -0.09 0.00 0.00 0.07 0.00 0.00 59.36 58.73 3n1o h GLU 94 Cb 1.36 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3n1o h GLU 94 CO 0.56 0.56 0.00 0.39 0.07 0.00 0.00 179.01 180.59 3n1o n GLU 95 N -4.36 0.58 -0.88 1.06 -0.58 -1.26 -4.90 120.64 110.30 3n1o n GLU 95 Ca 0.04 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 3n1o n GLU 95 Cb 0.15 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 3n1o n GLU 95 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3n1o n ASN 96 N -1.20 -2.59 0.01 1.62 4.13 -0.51 -4.83 115.26 111.90 3n1o n ASN 96 Ca 0.17 0.00 0.11 0.00 1.68 0.00 0.00 54.58 56.54 3n1o n ASN 96 Cb 0.19 -1.76 0.01 0.00 -1.54 0.00 0.00 39.78 36.68 3n1o n ASN 96 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3n1o n THR 97 N -2.26 0.09 -1.01 3.41 -2.24 -1.26 -4.94 114.28 106.07 3n1o n THR 97 Ca 0.00 -0.17 -0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3n1o n THR 97 Cb 0.15 0.39 -0.00 0.00 -2.10 0.00 0.00 70.33 68.77 3n1o n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3n1o n GLY 98 N 1.41 0.30 0.31 3.38 0.00 -1.26 -4.88 105.19 104.45 3n1o n GLY 98 Ca 0.03 -0.02 0.17 0.00 0.00 0.00 0.00 46.02 46.20 3n1o n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n1o h ALA 99 N 0.00 1.34 -0.05 4.61 0.00 -1.92 -1.88 119.26 121.36 3n1o h ALA 99 Ca -0.01 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3n1o h ALA 99 Cb 0.45 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3n1o h ALA 99 CO 0.01 0.01 0.19 -0.44 0.00 0.00 0.00 179.25 179.02 3n1o h ASP 100 N 0.00 0.00 0.44 0.00 5.19 -1.90 -1.99 116.42 118.16 3n1o h ASP 100 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3n1o h ASP 100 Cb 0.03 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.54 3n1o h ASP 100 CO 0.00 0.00 -0.65 0.54 -3.12 0.00 0.00 179.24 176.01 3n1o n ARG 101 N -3.20 0.06 -3.29 3.56 1.74 -0.71 -4.52 116.66 110.30 3n1o n ARG 101 Ca -0.01 0.01 -0.40 0.00 -0.77 0.00 0.00 57.85 56.68 3n1o n ARG 101 Cb 0.27 -1.53 -0.08 0.00 -1.02 0.00 0.00 32.46 30.10 3n1o n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3n1o s LEU 102 N -3.21 4.09 0.28 0.55 1.43 -0.75 -0.35 118.68 120.72 3n1o s LEU 102 Ca 0.09 0.36 -0.18 0.00 -1.03 0.00 0.00 54.13 53.37 3n1o s LEU 102 Cb 0.17 -2.56 0.01 0.00 0.03 0.00 0.00 46.19 43.84 3n1o s LEU 102 CO 0.74 -0.27 0.65 0.00 0.23 0.00 0.00 176.35 177.70 3n1o s MET 103 N 2.23 1.74 0.68 1.70 0.23 -0.96 -4.19 119.30 120.74 3n1o s MET 103 Ca 0.18 -1.09 -0.14 0.00 -1.03 0.00 0.00 55.69 53.61 3n1o s MET 103 Cb -0.16 0.57 0.01 0.00 -1.53 0.00 0.00 34.83 33.72 3n1o s MET 103 CO 0.10 -0.78 1.11 0.95 -2.03 0.00 0.00 175.02 174.37 3n1o s THR 104 N -3.88 3.23 0.38 3.16 -4.23 -0.53 0.01 115.64 113.78 3n1o s THR 104 Ca 0.15 0.55 0.08 0.00 -1.18 0.00 0.00 61.69 61.28 3n1o s THR 104 Cb -0.04 -3.06 0.30 0.00 1.34 0.00 0.00 72.50 71.03 3n1o s THR 104 CO 0.08 -0.38 1.97 -0.61 -0.54 0.00 0.00 174.62 175.13 3n1o h GLN 105 N -0.16 0.65 -0.14 3.99 5.75 -1.90 -0.01 115.11 123.29 3n1o h GLN 105 Ca -0.46 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 57.97 3n1o h GLN 105 Cb 1.25 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 29.64 3n1o h GLN 105 CO 0.54 0.43 -0.02 -0.09 -2.65 0.00 0.00 178.83 177.04 3n1o h ARG 106 N 0.67 0.27 -0.10 1.69 2.43 -1.92 -1.84 114.38 115.58 3n1o h ARG 106 Ca 0.30 -0.09 0.02 0.00 -0.81 0.00 0.00 59.98 59.40 3n1o h ARG 106 Cb 0.30 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 3n1o h ARG 106 CO -0.10 0.53 -0.05 0.00 -1.51 0.00 0.00 179.97 178.84 3n1o h LYS 108 N -0.04 0.03 -0.58 0.00 3.64 -0.93 0.65 116.57 119.33 3n1o h LYS 108 Ca 0.06 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.34 3n1o h LYS 108 Cb 0.13 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 3n1o h LYS 108 CO -0.12 0.02 -0.02 -0.44 -2.27 0.00 0.00 179.45 176.61 3n1o h ASP 109 N 0.03 1.02 -0.29 4.20 3.32 -1.07 0.33 116.42 123.97 3n1o h ASP 109 Ca 0.25 -0.29 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 3n1o h ASP 109 Cb 0.38 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3n1o h ASP 109 CO -0.50 1.08 -0.01 0.03 -1.72 0.00 0.00 179.24 178.12 3n1o h ARG 110 N 0.94 0.51 -0.62 3.56 2.47 -1.05 -2.83 114.38 117.37 3n1o h ARG 110 Ca 0.16 -0.17 0.07 0.00 -1.26 0.00 0.00 59.98 58.79 3n1o h ARG 110 Cb 0.57 -0.04 -0.06 0.00 -1.65 0.00 0.00 29.97 28.79 3n1o h ARG 110 CO 0.03 0.67 0.30 1.25 0.56 0.00 0.00 179.97 182.79 3n1o h LEU 111 N 0.30 0.41 -0.42 3.04 5.85 -0.51 -1.69 115.31 122.28 3n1o h LEU 111 Ca 0.08 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3n1o h LEU 111 Cb 0.45 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 3n1o h LEU 111 CO 0.02 0.26 0.18 0.78 -0.34 0.00 0.00 178.44 179.34 3n1o h ASN 112 N 0.55 0.56 -0.68 1.25 2.35 -0.91 -1.02 115.58 117.69 3n1o h ASN 112 Ca 0.29 -0.15 -0.06 0.00 -0.55 0.00 0.00 56.30 55.83 3n1o h ASN 112 Cb 0.25 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 3n1o h ASN 112 CO -0.22 0.56 0.20 0.28 -1.65 0.00 0.00 177.43 176.60 3n1o h SER 113 N 0.53 1.00 -0.63 5.81 0.02 -1.23 -1.72 113.55 117.34 3n1o h SER 113 Ca 0.14 -0.19 0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3n1o h SER 113 Cb 0.16 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.40 3n1o h SER 113 CO -0.01 0.94 0.40 0.25 -1.14 0.00 0.00 176.83 177.27 3n1o h LEU 114 N 1.03 0.66 -1.24 5.07 5.85 -1.12 -1.59 115.31 123.97 3n1o h LEU 114 Ca 0.22 -0.00 0.14 0.00 0.84 0.00 0.00 57.88 59.08 3n1o h LEU 114 Cb 0.31 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.12 3n1o h LEU 114 CO -0.01 0.46 0.58 0.00 -0.34 0.00 0.00 178.44 179.14 3n1o h ALA 115 N 1.27 1.77 0.05 1.25 0.00 -0.30 0.14 119.26 123.44 3n1o h ALA 115 Ca 0.25 0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.93 3n1o h ALA 115 Cb -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3n1o h ALA 115 CO -0.09 -0.01 -1.04 0.82 0.00 0.00 0.00 179.25 178.93 3n1o h ILE 116 N 0.75 1.43 0.00 0.00 2.04 -0.85 -3.05 117.51 117.83 3n1o h ILE 116 Ca 0.45 -2.64 -0.17 0.00 1.00 0.00 0.00 64.86 63.51 3n1o h ILE 116 Cb 0.66 2.59 -0.02 0.00 -0.74 0.00 0.00 36.82 39.31 3n1o h ILE 116 CO -0.21 0.78 -0.80 0.77 0.00 0.00 0.00 178.15 178.68 3n1o h SER 117 N 0.18 0.00 -0.42 1.72 4.64 -0.63 -2.44 113.55 116.59 3n1o h SER 117 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3n1o h SER 117 Cb 1.71 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.78 3n1o h SER 117 CO 0.18 0.80 0.28 0.58 -0.87 0.00 0.00 176.83 177.80 3n1o h VAL 118 N 0.00 1.11 0.00 0.95 2.07 -0.79 0.28 116.25 119.87 3n1o h VAL 118 Ca -0.01 -0.20 -0.08 0.00 0.82 0.00 0.00 66.70 67.24 3n1o h VAL 118 Cb 1.47 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 3n1o h VAL 118 CO 0.10 0.10 -0.38 0.24 0.02 0.00 0.00 177.57 177.66 3n1o h MET 119 N 0.57 0.00 -0.36 1.57 2.07 -1.52 -1.22 114.93 116.04 3n1o h MET 119 Ca 0.15 0.00 -0.16 0.00 -2.07 0.00 0.00 59.70 57.62 3n1o h MET 119 Cb -0.07 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.66 3n1o h MET 119 CO -0.03 0.38 -0.40 -0.97 1.07 0.00 0.00 176.91 176.95 3n1o h ASN 120 N 0.00 0.98 -0.19 1.22 -1.24 -0.89 -3.26 115.58 112.20 3n1o h ASN 120 Ca -0.00 -0.48 -0.17 0.00 0.71 0.00 0.00 56.30 56.36 3n1o h ASN 120 Cb 0.70 -0.28 0.00 0.00 0.73 0.00 0.00 38.32 39.48 3n1o h ASN 120 CO 0.05 1.26 -0.55 -0.61 -1.29 0.00 0.00 177.43 176.29 3n1o h GLN 121 N 0.72 0.70 -3.81 6.67 5.75 -0.06 -3.41 115.11 121.68 3n1o h GLN 121 Ca 0.05 -0.51 -0.57 0.00 -0.15 0.00 0.00 58.65 57.47 3n1o h GLN 121 Cb 1.00 0.09 -0.39 0.00 1.07 0.00 0.00 27.48 29.24 3n1o h GLN 121 CO 0.10 1.13 -0.77 -1.58 -2.65 0.00 0.00 178.83 175.06 3n1o s TRP 122 N -3.90 1.74 0.35 3.99 0.51 -0.50 -5.10 118.94 116.02 3n1o s TRP 122 Ca -0.12 -1.49 -0.29 0.00 -2.12 0.00 0.00 56.10 52.09 3n1o s TRP 122 Cb 0.08 -1.49 -0.11 0.00 -0.81 0.00 0.00 33.47 31.14 3n1o s TRP 122 CO 0.86 -0.76 1.47 -2.14 -0.51 0.00 0.00 176.95 175.88 3n1o s PRO 123 N 1.61 4.16 0.00 4.98 0.02 -1.23 -1.58 135.00 142.96 3n1o s PRO 123 Ca 0.02 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.54 3n1o s PRO 123 Cb -0.18 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.34 3n1o s PRO 123 CO -0.13 -0.49 0.00 0.41 -0.33 0.00 0.00 177.00 176.46 3n1o n GLY 124 N 0.90 3.13 3.69 0.52 0.00 -1.26 -5.03 105.19 107.14 3n1o n GLY 124 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 3n1o n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3n1o s VAL 125 N -2.18 4.28 0.40 1.61 1.01 -0.62 -4.95 120.40 119.95 3n1o s VAL 125 Ca 0.00 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.64 3n1o s VAL 125 Cb 0.00 -2.85 -0.07 0.00 0.00 0.00 0.00 36.38 33.46 3n1o s VAL 125 CO 0.00 0.50 0.02 -0.54 0.00 0.00 0.00 175.10 175.08 3n1o s LYS 126 N -1.20 1.91 0.26 2.72 1.02 -1.26 -3.80 119.74 119.39 3n1o s LYS 126 Ca 0.16 -2.09 -0.30 0.00 0.02 0.00 0.00 55.97 53.76 3n1o s LYS 126 Cb -0.11 -1.44 -0.09 0.00 -0.52 0.00 0.00 37.83 35.66 3n1o s LYS 126 CO 0.06 -0.11 1.07 -1.17 -0.92 0.00 0.00 175.35 174.28 3n1o s LEU 127 N -3.67 4.56 -0.03 3.17 2.96 -1.26 -0.40 118.68 124.01 3n1o s LEU 127 Ca 0.33 2.19 0.04 0.00 -0.22 0.00 0.00 54.13 56.46 3n1o s LEU 127 Cb 0.09 -3.62 -0.00 0.00 0.50 0.00 0.00 46.19 43.15 3n1o s LEU 127 CO 0.16 -0.10 -0.14 -0.60 -1.32 0.00 0.00 176.35 174.36 3n1o s ARG 128 N -1.25 1.31 -0.21 1.98 3.52 0.01 -0.78 118.95 123.52 3n1o s ARG 128 Ca 0.44 -0.48 -0.04 0.00 -0.13 0.00 0.00 55.73 55.52 3n1o s ARG 128 Cb -0.31 -1.20 -0.02 0.00 -1.56 0.00 0.00 34.95 31.87 3n1o s ARG 128 CO 0.39 0.23 -0.02 0.08 -0.81 0.00 0.00 175.30 175.16 3n1o s VAL 129 N -0.04 3.61 -0.39 7.11 1.01 0.10 -0.74 120.40 131.06 3n1o s VAL 129 Ca -0.00 -0.42 0.23 0.00 0.00 0.00 0.00 61.98 61.78 3n1o s VAL 129 Cb -0.09 -2.64 -0.13 0.00 0.00 0.00 0.00 36.38 33.53 3n1o s VAL 129 CO 0.01 0.42 0.92 0.35 0.00 0.00 0.00 175.10 176.80 3n1o n THR 130 N 4.59 0.26 -3.64 3.92 -2.24 0.66 -0.90 114.28 116.94 3n1o n THR 130 Ca -0.18 -0.38 -0.07 0.00 -2.27 0.00 0.00 64.05 61.15 3n1o n THR 130 Cb 0.51 0.02 -0.07 0.00 -2.10 0.00 0.00 70.33 68.69 3n1o n THR 130 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3n1o s GLU 131 N -3.31 0.48 0.00 -0.78 2.56 -1.19 -4.77 118.70 111.70 3n1o s GLU 131 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 54.97 55.62 3n1o s GLU 131 Cb 0.13 0.19 0.00 0.00 2.00 0.00 0.00 34.13 36.45 3n1o s GLU 131 CO 0.82 -0.07 0.00 0.41 -0.56 0.00 0.00 175.26 175.86 3n1o n GLY 132 N 2.78 3.22 3.67 -1.50 0.00 -1.26 -0.23 105.19 111.87 3n1o n GLY 132 Ca -0.15 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 3n1o n GLY 132 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3n1o s TRP 133 N 2.48 2.01 -0.19 1.61 -0.00 -1.26 -4.74 118.94 118.86 3n1o s TRP 133 Ca 0.00 0.16 -0.02 0.00 -0.00 0.00 0.00 56.10 56.24 3n1o s TRP 133 Cb 0.00 -3.96 -0.00 0.00 -0.00 0.00 0.00 33.47 29.51 3n1o s TRP 133 CO 0.00 -4.02 -0.10 0.34 -0.00 0.00 0.00 176.95 173.17 3n1o s ASP 134 N 3.23 3.98 -0.01 5.86 2.15 0.22 -4.59 116.67 127.52 3n1o s ASP 134 Ca 0.75 -0.43 0.21 0.00 0.43 0.00 0.00 52.55 53.51 3n1o s ASP 134 Cb -0.36 -1.65 -0.25 0.00 -0.30 0.00 0.00 42.92 40.36 3n1o s ASP 134 CO 0.31 0.03 0.80 -0.62 -0.17 0.00 0.00 175.17 175.52 3n1o n GLU 135 N 4.46 0.20 -0.74 4.34 1.02 -1.26 -4.34 120.64 124.32 3n1o n GLU 135 Ca -0.19 -0.04 0.07 0.00 -0.02 0.00 0.00 57.16 56.98 3n1o n GLU 135 Cb 0.51 -1.50 0.36 0.00 -0.02 0.00 0.00 31.44 30.80 3n1o n GLU 135 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3n1o n ASP 136 N -1.67 5.07 -4.03 1.62 8.00 -1.26 -4.95 116.55 119.33 3n1o n ASP 136 Ca 0.02 -2.70 -0.26 0.00 0.71 0.00 0.00 54.79 52.55 3n1o n ASP 136 Cb 0.38 -0.63 -0.04 0.00 -0.02 0.00 0.00 41.12 40.81 3n1o n ASP 136 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3n1o n GLY 137 N 0.76 -0.20 0.94 0.44 0.00 -1.26 -4.85 105.19 101.02 3n1o n GLY 137 Ca 0.25 0.16 0.03 0.00 0.00 0.00 0.00 46.02 46.46 3n1o n GLY 137 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3n1o n HIS 138 N -4.44 0.72 -2.68 1.61 8.25 -1.26 -4.88 115.22 112.54 3n1o n HIS 138 Ca -0.32 -0.26 0.00 0.00 -0.26 0.00 0.00 57.72 56.89 3n1o n HIS 138 Cb 0.69 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.58 3n1o n HIS 138 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3n1o n HIS 139 N 0.25 0.00 0.00 4.41 8.25 -1.26 -5.16 115.22 121.71 3n1o n HIS 139 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 3n1o n HIS 139 Cb 0.55 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.66 3n1o n HIS 139 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3n1o n SER 140 N 0.00 0.00 -4.87 0.41 7.64 -1.26 -5.01 113.62 110.53 3n1o n SER 140 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 3n1o n SER 140 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 3n1o n SER 140 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3n1o s GLU 141 N 0.00 3.71 -1.24 1.43 2.02 -1.26 -4.45 118.70 118.92 3n1o s GLU 141 Ca 0.00 0.12 -0.07 0.00 0.02 0.00 0.00 54.97 55.04 3n1o s GLU 141 Cb 0.00 -3.05 0.01 0.00 0.10 0.00 0.00 34.13 31.19 3n1o s GLU 141 CO 0.00 0.60 1.08 0.39 0.02 0.00 0.00 175.26 177.35 3n1o n GLU 142 N 1.08 -7.25 -2.68 1.61 1.02 -1.26 -4.96 120.64 108.20 3n1o n GLU 142 Ca -0.10 0.77 -0.40 0.00 -0.02 0.00 0.00 57.16 57.41 3n1o n GLU 142 Cb 0.52 -5.64 -0.05 0.00 -0.02 0.00 0.00 31.44 26.25 3n1o n GLU 142 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3n1o s SER 143 N -3.43 7.54 0.52 1.62 0.15 -1.26 -4.83 113.70 114.01 3n1o s SER 143 Ca 0.47 2.03 0.34 0.00 0.70 0.00 0.00 55.95 59.48 3n1o s SER 143 Cb -0.21 -2.61 1.50 0.00 -1.71 0.00 0.00 66.02 62.99 3n1o s SER 143 CO 0.68 0.07 2.00 -0.07 1.20 0.00 0.00 173.24 177.12 3n1o h LEU 144 N 4.12 0.00 -2.50 3.45 3.38 -1.94 -1.08 115.31 120.75 3n1o h LEU 144 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3n1o h LEU 144 Cb 1.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 3n1o h LEU 144 CO 0.68 0.00 0.02 0.45 0.09 0.00 0.00 178.44 179.68 3n1o h HIS 145 N 0.00 0.00 0.00 1.13 3.86 -1.85 -1.46 115.15 116.83 3n1o h HIS 145 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3n1o h HIS 145 Cb 0.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.84 3n1o h HIS 145 CO 0.00 0.00 0.00 0.66 0.86 0.00 0.00 177.93 179.45 3n1o n TYR 146 N -3.76 0.08 -2.07 2.45 4.01 -0.41 -0.61 117.16 116.84 3n1o n TYR 146 Ca -0.03 0.02 0.04 0.00 -0.16 0.00 0.00 57.90 57.78 3n1o n TYR 146 Cb 0.10 -0.54 0.07 0.00 -0.31 0.00 0.00 39.34 38.67 3n1o n TYR 146 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 3n1o n GLU 147 N -1.56 0.50 -2.12 -0.72 0.28 -0.95 -0.54 120.64 115.53 3n1o n GLU 147 Ca 0.06 -2.20 -0.16 0.00 -0.16 0.00 0.00 57.16 54.71 3n1o n GLU 147 Cb 0.32 -0.61 -0.02 0.00 1.43 0.00 0.00 31.44 32.56 3n1o n GLU 147 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3n1o n GLY 148 N -0.15 0.11 0.63 -1.84 0.00 -1.16 -4.69 105.19 98.10 3n1o n GLY 148 Ca 0.09 -0.24 0.07 0.00 0.00 0.00 0.00 46.02 45.94 3n1o n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n1o n ARG 149 N -2.51 1.42 -4.02 1.61 1.74 -0.59 -1.45 116.66 112.86 3n1o n ARG 149 Ca -0.18 -1.55 -0.11 0.00 -0.77 0.00 0.00 57.85 55.24 3n1o n ARG 149 Cb 0.61 -1.29 -0.11 0.00 -1.02 0.00 0.00 32.46 30.65 3n1o n ARG 149 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3n1o s ALA 150 N -1.15 0.32 0.06 7.54 0.00 -1.20 -1.29 121.76 126.04 3n1o s ALA 150 Ca 0.20 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.51 3n1o s ALA 150 Cb 0.13 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.32 3n1o s ALA 150 CO 0.18 -0.10 -0.07 0.14 0.00 0.00 0.00 175.76 175.92 3n1o s VAL 151 N -1.43 0.56 -0.21 0.00 -7.23 0.54 -4.31 120.40 108.31 3n1o s VAL 151 Ca -0.13 -1.36 -0.04 0.00 -1.81 0.00 0.00 61.98 58.63 3n1o s VAL 151 Cb -0.10 -0.96 -0.01 0.00 0.56 0.00 0.00 36.38 35.87 3n1o s VAL 151 CO -0.00 -0.56 -0.03 -1.81 -0.31 0.00 0.00 175.10 172.38 3n1o s ASP 152 N -2.08 4.44 0.28 4.85 1.01 0.68 -0.72 116.67 125.13 3n1o s ASP 152 Ca -0.03 -0.34 0.11 0.00 0.71 0.00 0.00 52.55 53.00 3n1o s ASP 152 Cb -0.05 -1.76 -0.05 0.00 1.01 0.00 0.00 42.92 42.07 3n1o s ASP 152 CO -0.02 0.00 -0.17 0.27 0.21 0.00 0.00 175.17 175.47 3n1o s ILE 153 N 1.35 2.30 0.36 0.77 -4.36 0.23 -0.24 121.20 121.60 3n1o s ILE 153 Ca 0.04 -2.34 -0.01 0.00 -0.26 0.00 0.00 60.65 58.08 3n1o s ILE 153 Cb -0.14 -2.31 0.01 0.00 1.25 0.00 0.00 42.46 41.26 3n1o s ILE 153 CO -0.01 -0.40 0.49 0.35 0.24 0.00 0.00 174.94 175.60 3n1o n THR 154 N -0.60 0.00 -2.23 8.37 -2.24 0.08 -1.57 114.28 116.08 3n1o n THR 154 Ca -0.05 -1.91 -0.29 0.00 -2.27 0.00 0.00 64.05 59.52 3n1o n THR 154 Cb 0.61 1.15 0.01 0.00 -2.10 0.00 0.00 70.33 70.00 3n1o n THR 154 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3n1o s THR 155 N -2.88 4.55 0.38 4.28 -4.23 -1.26 -0.81 115.64 115.67 3n1o s THR 155 Ca 0.31 0.47 0.22 0.00 -1.18 0.00 0.00 61.69 61.51 3n1o s THR 155 Cb -0.01 -3.78 0.22 0.00 1.34 0.00 0.00 72.50 70.27 3n1o s THR 155 CO 0.22 -0.91 1.98 0.77 -0.54 0.00 0.00 174.62 176.15 3n1o h SER 156 N -0.12 0.00 0.23 3.99 4.64 -1.00 -2.02 113.55 119.27 3n1o h SER 156 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3n1o h SER 156 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3n1o h SER 156 CO 0.62 0.20 -0.09 -0.90 -0.87 0.00 0.00 176.83 175.79 3n1o n ASP 157 N -3.82 0.66 -4.04 4.97 5.75 -1.26 -4.93 116.55 113.88 3n1o n ASP 157 Ca -0.02 -0.84 -0.31 0.00 -0.01 0.00 0.00 54.79 53.61 3n1o n ASP 157 Cb 0.30 -0.03 -0.01 0.00 -1.03 0.00 0.00 41.12 40.36 3n1o n ASP 157 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3n1o n ARG 158 N -0.71 -4.03 -3.12 0.11 1.74 -0.76 -4.92 116.66 104.98 3n1o n ARG 158 Ca 0.16 0.46 -0.45 0.00 -0.77 0.00 0.00 57.85 57.26 3n1o n ARG 158 Cb 0.28 -5.10 -0.04 0.00 -1.02 0.00 0.00 32.46 26.58 3n1o n ARG 158 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3n1o s ASP 159 N -3.61 6.37 0.62 0.55 2.15 -1.26 -4.91 116.67 116.57 3n1o s ASP 159 Ca 0.51 -1.78 0.28 0.00 0.43 0.00 0.00 52.55 51.99 3n1o s ASP 159 Cb -0.27 -2.30 1.42 0.00 -0.30 0.00 0.00 42.92 41.47 3n1o s ASP 159 CO 0.88 -1.01 1.82 0.03 -0.17 0.00 0.00 175.17 176.73 3n1o h ARG 160 N 8.87 0.00 -0.34 4.34 3.08 -1.91 0.33 114.38 128.75 3n1o h ARG 160 Ca -0.14 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.01 3n1o h ARG 160 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 3n1o h ARG 160 CO 1.04 0.00 0.29 -0.91 -1.07 0.00 0.00 179.97 179.32 3n1o h ASN 161 N 0.00 0.00 1.25 7.04 2.35 -1.93 -2.44 115.58 121.85 3n1o h ASN 161 Ca 0.16 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.87 3n1o h ASN 161 Cb 1.18 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.54 3n1o h ASN 161 CO -0.00 0.00 -0.77 0.11 -1.65 0.00 0.00 177.43 175.12 3n1o h LYS 162 N 0.00 0.00 -0.88 0.81 1.57 -0.76 -3.40 116.57 113.92 3n1o h LYS 162 Ca 0.16 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 59.07 3n1o h LYS 162 Cb 0.73 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.97 3n1o h LYS 162 CO -0.00 0.11 0.57 1.88 -0.57 0.00 0.00 179.45 181.44 3n1o h TYR 163 N 0.00 0.85 -0.33 -1.35 -1.99 -1.55 0.34 116.97 112.94 3n1o h TYR 163 Ca -0.03 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 3n1o h TYR 163 Cb 1.15 -0.27 -0.02 0.00 2.00 0.00 0.00 36.73 39.60 3n1o h TYR 163 CO 0.00 0.34 0.15 0.78 -0.00 0.00 0.00 178.16 179.44 3n1o h GLY 164 N 0.74 0.52 1.09 3.88 0.00 -1.78 -0.01 103.07 107.52 3n1o h GLY 164 Ca 0.43 -0.26 -0.13 0.00 0.00 0.00 0.00 47.33 47.36 3n1o h GLY 164 CO -0.19 0.25 -0.23 -2.00 0.00 0.00 0.00 176.54 174.37 3n1o h LEU 165 N 0.40 0.99 -0.46 3.11 5.85 -1.51 -0.42 115.31 123.27 3n1o h LEU 165 Ca 0.11 -0.41 0.07 0.00 0.84 0.00 0.00 57.88 58.49 3n1o h LEU 165 Cb 0.13 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.83 3n1o h LEU 165 CO -0.01 1.18 0.13 0.25 -0.34 0.00 0.00 178.44 179.65 3n1o h LEU 166 N 0.80 0.10 -0.82 2.25 5.85 -0.78 -1.07 115.31 121.64 3n1o h LEU 166 Ca 0.10 0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.95 3n1o h LEU 166 Cb 0.81 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.85 3n1o h LEU 166 CO 0.07 0.09 0.50 0.00 -0.34 0.00 0.00 178.44 178.75 3n1o h ALA 167 N 1.33 1.13 -0.30 1.25 0.00 -0.89 -0.63 119.26 121.15 3n1o h ALA 167 Ca 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3n1o h ALA 167 Cb 0.25 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3n1o h ALA 167 CO -0.25 0.21 0.16 -0.09 0.00 0.00 0.00 179.25 179.28 3n1o h ARG 168 N 0.90 0.42 -0.98 0.00 9.65 -1.11 -1.80 114.38 121.45 3n1o h ARG 168 Ca 0.37 -0.05 0.07 0.00 -1.10 0.00 0.00 59.98 59.26 3n1o h ARG 168 Cb 0.20 -0.08 -0.07 0.00 -1.39 0.00 0.00 29.97 28.63 3n1o h ARG 168 CO -0.19 0.35 0.63 -0.07 2.80 0.00 0.00 179.97 183.50 3n1o h LEU 169 N 0.37 1.00 -0.94 3.80 3.38 -0.52 -0.09 115.31 122.32 3n1o h LEU 169 Ca 0.11 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.11 3n1o h LEU 169 Cb 0.06 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 3n1o h LEU 169 CO -0.02 0.64 0.62 0.00 0.09 0.00 0.00 178.44 179.77 3n1o h ALA 170 N 1.45 1.21 -0.11 1.53 0.00 -0.64 0.50 119.26 123.20 3n1o h ALA 170 Ca 0.42 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 3n1o h ALA 170 Cb 0.18 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3n1o h ALA 170 CO -0.18 0.55 0.06 0.28 0.00 0.00 0.00 179.25 179.96 3n1o h VAL 171 N 1.24 1.09 -0.35 0.00 2.07 -0.39 -2.26 116.25 117.64 3n1o h VAL 171 Ca 0.36 -0.24 0.07 0.00 0.82 0.00 0.00 66.70 67.70 3n1o h VAL 171 Cb -0.09 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3n1o h VAL 171 CO -0.09 0.08 0.24 -0.33 0.02 0.00 0.00 177.57 177.49 3n1o h GLU 172 N 0.08 0.16 0.00 1.57 4.39 0.18 -0.03 114.58 120.93 3n1o h GLU 172 Ca 0.04 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3n1o h GLU 172 Cb 0.08 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 3n1o h GLU 172 CO -0.01 0.11 0.00 0.00 -1.16 0.00 0.00 179.01 177.95 3n1o n ALA 173 N -2.56 1.98 -0.32 3.43 0.00 0.16 -4.89 120.51 118.32 3n1o n ALA 173 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3n1o n ALA 173 Cb 0.31 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.43 3n1o n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n1o n GLY 174 N 0.53 0.83 3.76 0.00 0.00 -0.02 -4.70 105.19 105.59 3n1o n GLY 174 Ca 0.07 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 3n1o n GLY 174 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3n1o s PHE 175 N -2.00 2.41 -0.45 1.61 0.08 -1.10 -4.91 117.98 113.62 3n1o s PHE 175 Ca 0.00 1.26 0.23 0.00 0.12 0.00 0.00 56.93 58.55 3n1o s PHE 175 Cb 0.00 -3.93 0.19 0.00 -0.57 0.00 0.00 43.02 38.72 3n1o s PHE 175 CO 0.00 -3.00 1.23 -0.44 -0.10 0.00 0.00 175.22 172.91 3n1o h ASP 176 N 2.20 0.00 -3.39 1.36 3.32 -1.49 -3.44 116.42 114.99 3n1o h ASP 176 Ca -0.51 -0.10 -0.19 0.00 0.02 0.00 0.00 57.03 56.25 3n1o h ASP 176 Cb 1.27 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.53 3n1o h ASP 176 CO 0.61 0.05 -0.47 0.86 -1.72 0.00 0.00 179.24 178.57 3n1o s TRP 177 N -3.26 -0.34 -0.05 4.55 -0.00 -1.07 -4.01 118.94 114.76 3n1o s TRP 177 Ca 0.03 0.80 0.02 0.00 -0.00 0.00 0.00 56.10 56.95 3n1o s TRP 177 Cb 0.11 0.06 0.01 0.00 -0.00 0.00 0.00 33.47 33.66 3n1o s TRP 177 CO 0.75 -0.23 -0.10 0.08 -0.00 0.00 0.00 176.95 177.44 3n1o s VAL 178 N 1.16 0.96 -0.09 5.86 1.01 -0.17 -1.41 120.40 127.73 3n1o s VAL 178 Ca -0.08 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.47 3n1o s VAL 178 Cb -0.09 -0.89 0.04 0.00 0.00 0.00 0.00 36.38 35.44 3n1o s VAL 178 CO -0.08 0.31 0.09 -0.47 0.00 0.00 0.00 175.10 174.95 3n1o s TYR 179 N 0.63 0.06 -0.90 5.22 5.04 0.46 -0.55 117.35 127.31 3n1o s TYR 179 Ca -0.12 0.13 -0.21 0.00 -2.44 0.00 0.00 57.07 54.43 3n1o s TYR 179 Cb -0.14 -0.51 -0.12 0.00 0.35 0.00 0.00 41.96 41.53 3n1o s TYR 179 CO 0.02 -0.31 1.98 0.98 -1.34 0.00 0.00 175.55 176.88 3n1o n TYR 180 N 5.30 2.19 -0.11 4.97 4.19 -0.29 -0.08 117.16 133.33 3n1o n TYR 180 Ca -0.04 -2.01 -0.06 0.00 3.31 0.00 0.00 57.90 59.09 3n1o n TYR 180 Cb 0.50 -1.88 0.02 0.00 0.49 0.00 0.00 39.34 38.47 3n1o n TYR 180 CO 0.00 0.00 0.00 1.49 0.91 0.00 0.00 176.86 179.26 3n1o h GLU 181 N 7.60 0.31 -3.63 2.98 4.81 -1.85 -1.57 114.58 123.24 3n1o h GLU 181 Ca 0.44 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.59 3n1o h GLU 181 Cb 0.67 -0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.90 3n1o h GLU 181 CO 1.93 0.21 -0.09 -1.54 -0.73 0.00 0.00 179.01 178.79 3n1o s SER 182 N -5.39 -0.01 0.65 1.04 1.04 -1.06 -4.73 113.70 105.24 3n1o s SER 182 Ca -0.13 -0.97 0.37 0.00 0.48 0.00 0.00 55.95 55.70 3n1o s SER 182 Cb 0.12 0.61 2.02 0.00 0.10 0.00 0.00 66.02 68.87 3n1o s SER 182 CO 0.71 -1.19 2.18 0.11 0.98 0.00 0.00 173.24 176.04 3n1o h LYS 183 N 2.22 0.00 -0.00 4.02 1.79 -2.00 -2.69 116.57 119.90 3n1o h LYS 183 Ca -0.26 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 3n1o h LYS 183 Cb 1.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 3n1o h LYS 183 CO 0.35 0.00 -0.52 0.00 -1.08 0.00 0.00 179.45 178.20 3n1o n ALA 184 N -2.08 3.52 -3.64 3.86 0.00 -1.26 -4.82 120.51 116.08 3n1o n ALA 184 Ca -0.02 -0.42 -0.07 0.00 0.00 0.00 0.00 53.44 52.93 3n1o n ALA 184 Cb 0.21 -0.49 -0.02 0.00 0.00 0.00 0.00 19.45 19.15 3n1o n ALA 184 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3n1o s HIS 185 N -2.08 -0.26 -0.07 0.00 -3.43 -1.02 -4.89 115.29 103.54 3n1o s HIS 185 Ca 0.07 0.00 0.04 0.00 -0.80 0.00 0.00 55.06 54.38 3n1o s HIS 185 Cb 0.11 0.60 -0.00 0.00 -1.43 0.00 0.00 32.58 31.86 3n1o s HIS 185 CO 0.48 -0.79 -0.21 0.08 -2.00 0.00 0.00 174.74 172.31 3n1o s VAL 186 N -3.37 1.78 -0.24 -5.38 1.01 -0.61 -2.55 120.40 111.03 3n1o s VAL 186 Ca 0.08 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 61.07 3n1o s VAL 186 Cb -0.02 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 3n1o s VAL 186 CO -0.03 0.50 0.20 -2.28 0.00 0.00 0.00 175.10 173.49 3n1o s HIS 187 N 0.22 3.30 -0.02 5.22 5.04 0.88 -0.60 115.29 129.34 3n1o s HIS 187 Ca -0.12 0.26 0.06 0.00 -1.54 0.00 0.00 55.06 53.72 3n1o s HIS 187 Cb -0.15 -2.33 -0.01 0.00 0.04 0.00 0.00 32.58 30.12 3n1o s HIS 187 CO 0.06 0.00 -0.20 0.00 -2.34 0.00 0.00 174.74 172.25 3n1o s SER 189 N -0.44 0.14 0.09 0.00 1.04 -0.50 -0.34 113.70 113.70 3n1o s SER 189 Ca 0.07 -1.24 0.01 0.00 0.48 0.00 0.00 55.95 55.27 3n1o s SER 189 Cb -0.08 0.39 -0.04 0.00 0.10 0.00 0.00 66.02 66.39 3n1o s SER 189 CO -0.01 -0.86 -0.04 0.68 0.98 0.00 0.00 173.24 173.99 3n1o s VAL 190 N -4.10 0.51 0.99 5.02 -7.23 -0.41 -1.21 120.40 113.97 3n1o s VAL 190 Ca 0.31 -1.90 -0.11 0.00 -1.81 0.00 0.00 61.98 58.48 3n1o s VAL 190 Cb 0.06 -1.69 0.19 0.00 0.56 0.00 0.00 36.38 35.50 3n1o s VAL 190 CO 0.08 -0.86 1.11 -0.54 -0.31 0.00 0.00 175.10 174.59 3n1o s LYS 191 N -3.88 0.44 0.68 4.82 1.02 -1.24 -4.84 119.74 116.74 3n1o s LYS 191 Ca 0.12 1.37 -0.09 0.00 0.02 0.00 0.00 55.97 57.39 3n1o s LYS 191 Cb 0.06 -1.67 0.03 0.00 -0.52 0.00 0.00 37.83 35.73 3n1o s LYS 191 CO -0.05 -2.97 1.03 -1.54 -0.92 0.00 0.00 175.35 170.90 3n1o s SER 192 N -2.61 5.22 0.00 2.83 1.04 -1.26 -4.89 113.70 114.03 3n1o s SER 192 Ca 0.67 0.81 0.14 0.00 0.48 0.00 0.00 55.95 58.05 3n1o s SER 192 Cb -0.24 -1.59 0.11 0.00 0.10 0.00 0.00 66.02 64.41 3n1o s SER 192 CO 0.60 -1.39 0.95 -0.62 0.98 0.00 0.00 173.24 173.76