#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n95 s LEU 56 N 0.00 0.09 0.54 -2.13 0.20 -1.26 -5.15 118.68 110.98 1n95 s LEU 56 Ca 0.00 -0.25 -0.21 0.00 0.69 0.00 0.00 54.13 54.36 1n95 s LEU 56 Cb 0.00 0.08 -0.05 0.00 -0.43 0.00 0.00 46.19 45.79 1n95 s LEU 56 CO 0.00 -0.31 1.25 -1.20 -0.29 0.00 0.00 176.35 175.79 1n95 n SER 57 N 5.30 2.16 0.21 3.68 7.64 -1.26 -4.89 113.62 126.47 1n95 n SER 57 Ca -0.06 0.95 0.14 0.00 1.01 0.00 0.00 58.87 60.91 1n95 n SER 57 Cb 0.49 -1.52 0.44 0.00 -1.01 0.00 0.00 64.21 62.62 1n95 n SER 57 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1n95 h LEU 58 N 1.25 0.00 -0.05 -3.43 3.38 -2.00 -3.03 115.31 111.43 1n95 h LEU 58 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1n95 h LEU 58 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1n95 h LEU 58 CO 0.56 0.00 -0.92 0.47 0.09 0.00 0.00 178.44 178.64 1n95 n ASP 59 N -2.85 1.00 -4.72 -0.43 9.92 -1.26 -4.95 116.55 113.26 1n95 n ASP 59 Ca 0.03 -0.94 -0.41 0.00 -0.53 0.00 0.00 54.79 52.94 1n95 n ASP 59 Cb 0.39 0.89 0.01 0.00 -0.64 0.00 0.00 41.12 41.77 1n95 n ASP 59 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1n95 n SER 60 N -1.42 2.82 0.27 -2.24 2.88 -1.14 -4.84 113.62 109.93 1n95 n SER 60 Ca 0.04 1.12 0.14 0.00 -1.33 0.00 0.00 58.87 58.84 1n95 n SER 60 Cb 0.34 -1.53 0.73 0.00 -0.75 0.00 0.00 64.21 62.99 1n95 n SER 60 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1n95 h PRO 61 N 2.17 0.00 -0.82 -1.46 0.13 -1.93 -2.43 132.00 127.66 1n95 h PRO 61 Ca -0.49 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.09 1n95 h PRO 61 Cb 1.29 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.09 1n95 h PRO 61 CO 0.60 0.10 0.08 0.25 -0.23 0.00 0.00 178.00 178.80 1n95 n THR 62 N -3.41 3.04 -2.75 1.56 -2.24 -1.26 -5.00 114.28 104.21 1n95 n THR 62 Ca -0.01 -3.36 -0.41 0.00 -2.27 0.00 0.00 64.05 58.00 1n95 n THR 62 Cb 0.27 -1.01 -0.04 0.00 -2.10 0.00 0.00 70.33 67.45 1n95 n THR 62 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1n95 s TYR 63 N -3.64 3.80 -0.00 4.78 5.04 -0.92 -5.05 117.35 121.35 1n95 s TYR 63 Ca 0.56 1.76 0.08 0.00 -2.44 0.00 0.00 57.07 57.04 1n95 s TYR 63 Cb 0.46 -3.03 -0.02 0.00 0.35 0.00 0.00 41.96 39.71 1n95 s TYR 63 CO 0.02 0.20 -0.25 0.14 -1.34 0.00 0.00 175.55 174.32 1n95 s VAL 64 N 0.05 1.97 0.64 3.14 -7.23 -1.26 -5.06 120.40 112.64 1n95 s VAL 64 Ca 0.46 -1.12 -0.18 0.00 -1.81 0.00 0.00 61.98 59.34 1n95 s VAL 64 Cb -0.23 -1.64 -0.02 0.00 0.56 0.00 0.00 36.38 35.05 1n95 s VAL 64 CO 0.29 0.50 1.15 0.18 -0.31 0.00 0.00 175.10 176.91 1n95 n LEU 65 N 2.32 5.04 0.02 1.32 4.77 -1.26 -4.87 117.00 124.34 1n95 n LEU 65 Ca -0.16 0.80 0.02 0.00 -0.03 0.00 0.00 56.01 56.65 1n95 n LEU 65 Cb 0.52 -1.49 0.38 0.00 -2.33 0.00 0.00 43.42 40.50 1n95 n LEU 65 CO 0.23 -1.40 1.04 1.88 -1.33 0.00 0.00 177.39 177.81 1n95 h TYR 66 N 0.43 0.48 -0.38 -1.77 -1.99 -1.96 0.38 116.97 112.15 1n95 h TYR 66 Ca -0.50 -0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.17 1n95 h TYR 66 Cb 1.35 -0.15 -0.02 0.00 2.00 0.00 0.00 36.73 39.91 1n95 h TYR 66 CO 0.39 0.40 0.07 0.07 -0.00 0.00 0.00 178.16 179.10 1n95 h ARG 67 N 0.48 0.57 -0.06 4.88 0.11 -1.90 -0.83 114.38 117.63 1n95 h ARG 67 Ca 0.12 -0.10 0.00 0.00 0.10 0.00 0.00 59.98 60.09 1n95 h ARG 67 Cb 0.14 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.13 1n95 h ARG 67 CO -0.01 0.54 0.00 -0.25 0.10 0.00 0.00 179.97 180.35 1n95 n ASP 68 N -4.32 0.40 -4.78 0.08 8.00 0.09 -4.86 116.55 111.16 1n95 n ASP 68 Ca 0.02 -1.75 -0.37 0.00 0.71 0.00 0.00 54.79 53.40 1n95 n ASP 68 Cb 0.20 -0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 41.20 1n95 n ASP 68 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1n95 s ARG 69 N -1.92 4.05 0.35 -1.24 0.52 -0.32 -4.91 118.95 115.47 1n95 s ARG 69 Ca 0.17 0.20 0.09 0.00 -0.52 0.00 0.00 55.73 55.66 1n95 s ARG 69 Cb 0.08 -3.33 0.64 0.00 0.52 0.00 0.00 34.95 32.86 1n95 s ARG 69 CO 0.13 0.45 1.82 0.00 0.02 0.00 0.00 175.30 177.71 1n95 h ALA 70 N 5.84 1.33 -0.18 2.13 0.00 -1.89 -2.62 119.26 123.87 1n95 h ALA 70 Ca -0.46 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1n95 h ALA 70 Cb 1.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1n95 h ALA 70 CO 0.69 0.46 0.00 -0.85 0.00 0.00 0.00 179.25 179.55 1n95 n GLU 71 N -4.15 1.76 -2.79 0.00 0.00 -1.26 -4.02 120.64 110.19 1n95 n GLU 71 Ca -0.01 -1.15 -0.18 0.00 0.00 0.00 0.00 57.16 55.82 1n95 n GLU 71 Cb 0.37 -1.40 -0.00 0.00 0.00 0.00 0.00 31.44 30.41 1n95 n GLU 71 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 1n95 n TRP 72 N 0.38 1.82 0.01 -1.84 7.02 -0.99 -4.80 117.44 119.04 1n95 n TRP 72 Ca 0.16 -3.29 0.00 0.00 -1.02 0.00 0.00 57.50 53.36 1n95 n TRP 72 Cb 0.34 -0.34 -0.01 0.00 -2.42 0.00 0.00 31.31 28.89 1n95 n TRP 72 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1n95 n ALA 73 N -0.10 2.05 0.30 6.99 0.00 -1.24 -4.54 120.51 123.97 1n95 n ALA 73 Ca 0.23 -0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.79 1n95 n ALA 73 Cb 0.68 -0.03 0.46 0.00 0.00 0.00 0.00 19.45 20.56 1n95 n ALA 73 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1n95 h ASP 74 N 0.00 0.00 -2.95 0.00 3.04 -1.87 -3.44 116.42 111.20 1n95 h ASP 74 Ca 0.00 0.00 -0.63 0.00 -3.24 0.00 0.00 57.03 53.16 1n95 h ASP 74 Cb 0.04 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 38.28 1n95 h ASP 74 CO 0.00 0.00 -0.52 -0.63 -2.04 0.00 0.00 179.24 176.05 1n95 s ILE 75 N -3.41 5.21 -0.20 4.15 1.01 -1.26 -5.09 121.20 121.59 1n95 s ILE 75 Ca 0.04 -0.41 -0.06 0.00 0.00 0.00 0.00 60.65 60.23 1n95 s ILE 75 Cb 0.08 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 1n95 s ILE 75 CO 0.58 0.19 0.02 -1.81 0.00 0.00 0.00 174.94 173.92 1n95 s ASP 76 N -2.33 5.02 -0.08 3.58 1.11 -1.26 -5.05 116.67 117.65 1n95 s ASP 76 Ca 0.32 -0.15 -0.29 0.00 0.18 0.00 0.00 52.55 52.60 1n95 s ASP 76 Cb -0.13 -1.86 -0.05 0.00 1.07 0.00 0.00 42.92 41.95 1n95 s ASP 76 CO 0.24 0.07 1.71 -2.16 1.18 0.00 0.00 175.17 176.21 1n95 s PRO 77 N 0.98 4.05 -0.42 8.23 0.04 -1.26 -4.78 135.00 141.85 1n95 s PRO 77 Ca 0.02 2.13 -0.24 0.00 0.04 0.00 0.00 61.00 62.95 1n95 s PRO 77 Cb -0.14 -4.03 0.02 0.00 0.04 0.00 0.00 34.50 30.38 1n95 s PRO 77 CO 0.02 -1.00 0.85 0.08 0.04 0.00 0.00 177.00 176.99 1n95 s VAL 78 N 4.51 4.60 0.64 -0.36 1.01 -0.13 -4.92 120.40 125.75 1n95 s VAL 78 Ca 0.76 0.75 -0.12 0.00 0.00 0.00 0.00 61.98 63.37 1n95 s VAL 78 Cb -0.33 -4.33 -0.02 0.00 0.00 0.00 0.00 36.38 31.70 1n95 s VAL 78 CO 0.31 -0.66 1.04 -2.16 0.00 0.00 0.00 175.10 173.64 1n95 s PRO 79 N 3.42 3.29 0.27 2.72 0.04 -1.26 -4.22 135.00 139.25 1n95 s PRO 79 Ca 0.34 0.93 -0.29 0.00 0.04 0.00 0.00 61.00 62.01 1n95 s PRO 79 Cb -0.12 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.29 1n95 s PRO 79 CO 0.22 -0.82 1.18 -1.14 0.04 0.00 0.00 177.00 176.48 1n95 s GLN 80 N -4.85 4.53 -0.65 4.56 0.74 -1.26 -4.99 119.66 117.74 1n95 s GLN 80 Ca 0.58 1.93 -0.07 0.00 0.05 0.00 0.00 55.36 57.84 1n95 s GLN 80 Cb -0.13 -3.17 0.17 0.00 1.10 0.00 0.00 33.01 30.98 1n95 s GLN 80 CO 0.50 0.04 0.51 1.21 -0.55 0.00 0.00 175.29 177.00 1n95 s ASN 81 N -0.53 5.75 0.00 6.67 2.47 -1.26 -4.88 114.94 123.16 1n95 s ASN 81 Ca 0.48 -2.64 0.24 0.00 0.42 0.00 0.00 52.86 51.35 1n95 s ASN 81 Cb -0.34 -1.98 0.75 0.00 -1.45 0.00 0.00 41.25 38.23 1n95 s ASN 81 CO 0.43 -0.48 1.56 0.47 -3.72 0.00 0.00 177.10 175.36 1n95 n ASP 82 N 3.88 1.98 0.00 -4.21 9.92 -1.26 -5.04 116.55 121.81 1n95 n ASP 82 Ca 0.07 -1.71 0.00 0.00 -0.53 0.00 0.00 54.79 52.62 1n95 n ASP 82 Cb 0.41 -0.08 0.00 0.00 -0.64 0.00 0.00 41.12 40.81 1n95 n ASP 82 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1n95 n GLY 83 N 1.22 -1.45 0.44 0.44 0.00 -1.26 -4.31 105.19 100.26 1n95 n GLY 83 Ca 0.17 -1.36 0.18 0.00 0.00 0.00 0.00 46.02 45.01 1n95 n GLY 83 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n95 h PRO 84 N 0.00 0.00 -2.73 1.61 0.13 -2.02 -3.08 132.00 125.91 1n95 h PRO 84 Ca 0.00 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.54 1n95 h PRO 84 Cb 0.00 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 30.74 1n95 h PRO 84 CO 0.00 0.00 -0.81 -1.12 -0.23 0.00 0.00 178.00 175.84 1n95 s SER 85 N -3.68 3.20 0.72 1.44 0.01 -1.26 -5.13 113.70 108.99 1n95 s SER 85 Ca -0.02 -2.34 -0.14 0.00 1.31 0.00 0.00 55.95 54.76 1n95 s SER 85 Cb 0.10 -0.62 0.03 0.00 0.21 0.00 0.00 66.02 65.74 1n95 s SER 85 CO 0.33 -0.29 1.15 -2.84 0.41 0.00 0.00 173.24 172.00 1n95 s PRO 86 N 0.82 2.31 0.06 12.44 0.02 -1.17 -5.09 135.00 144.39 1n95 s PRO 86 Ca 0.18 1.55 0.01 0.00 0.02 0.00 0.00 61.00 62.76 1n95 s PRO 86 Cb -0.23 -1.88 -0.03 0.00 0.02 0.00 0.00 34.50 32.38 1n95 s PRO 86 CO 0.01 -1.66 -0.05 0.14 -0.33 0.00 0.00 177.00 175.11 1n95 s VAL 87 N -2.25 0.40 -0.33 3.83 -7.23 -1.26 -4.87 120.40 108.69 1n95 s VAL 87 Ca 0.70 -1.51 -0.09 0.00 -1.81 0.00 0.00 61.98 59.27 1n95 s VAL 87 Cb -0.24 -1.11 0.01 0.00 0.56 0.00 0.00 36.38 35.60 1n95 s VAL 87 CO 0.46 -0.73 0.18 1.33 -0.31 0.00 0.00 175.10 176.03 1n95 n VAL 88 N 0.66 -0.72 -3.43 1.32 0.24 -1.26 -4.80 118.33 110.34 1n95 n VAL 88 Ca -0.17 -0.15 -0.39 0.00 -2.04 0.00 0.00 64.34 61.59 1n95 n VAL 88 Cb 0.58 -0.61 -0.09 0.00 -1.47 0.00 0.00 33.84 32.25 1n95 n VAL 88 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1n95 s GLN 89 N -5.52 3.99 0.09 7.34 0.74 -1.26 -5.07 119.66 119.98 1n95 s GLN 89 Ca 0.13 -0.05 -0.27 0.00 0.05 0.00 0.00 55.36 55.22 1n95 s GLN 89 Cb -0.07 -3.66 -0.06 0.00 1.10 0.00 0.00 33.01 30.32 1n95 s GLN 89 CO 0.26 -0.27 0.84 0.42 -0.55 0.00 0.00 175.29 176.00 1n95 s ILE 90 N 2.00 4.57 -0.93 -2.34 1.01 -1.26 -4.99 121.20 119.26 1n95 s ILE 90 Ca 0.13 1.81 -0.18 0.00 0.00 0.00 0.00 60.65 62.42 1n95 s ILE 90 Cb -0.16 -4.20 0.15 0.00 0.01 0.00 0.00 42.46 38.26 1n95 s ILE 90 CO 0.10 0.38 1.09 -0.63 0.00 0.00 0.00 174.94 175.87 1n95 s ILE 91 N -0.24 4.89 0.78 2.92 -1.09 -1.26 -5.01 121.20 122.20 1n95 s ILE 91 Ca 0.41 -1.79 -0.11 0.00 -2.23 0.00 0.00 60.65 56.94 1n95 s ILE 91 Cb -0.22 -4.74 0.06 0.00 -1.58 0.00 0.00 42.46 35.99 1n95 s ILE 91 CO 0.26 -1.44 1.10 -0.31 -1.23 0.00 0.00 174.94 173.32 1n95 s TYR 92 N 2.20 2.49 0.70 3.97 4.12 -1.26 -5.02 117.35 124.55 1n95 s TYR 92 Ca 0.31 1.58 -0.11 0.00 0.02 0.00 0.00 57.07 58.86 1n95 s TYR 92 Cb -0.06 -3.08 0.01 0.00 -1.52 0.00 0.00 41.96 37.32 1n95 s TYR 92 CO -0.09 -1.89 1.08 -1.54 0.02 0.00 0.00 175.55 173.13 1n95 s SER 93 N -3.30 5.46 0.46 2.29 1.04 -1.26 -4.83 113.70 113.56 1n95 s SER 93 Ca 0.62 1.29 0.12 0.00 0.48 0.00 0.00 55.95 58.46 1n95 s SER 93 Cb -0.18 -2.15 1.07 0.00 0.10 0.00 0.00 66.02 64.87 1n95 s SER 93 CO 0.56 -1.35 2.09 -0.08 0.98 0.00 0.00 173.24 175.43 1n95 h GLU 94 N -0.66 0.28 -0.12 4.02 4.57 -1.99 -1.32 114.58 119.37 1n95 h GLU 94 Ca -0.45 -0.02 -0.14 0.00 -1.18 0.00 0.00 59.36 57.58 1n95 h GLU 94 Cb 1.24 -0.06 0.01 0.00 -0.16 0.00 0.00 28.75 29.77 1n95 h GLU 94 CO 0.62 0.18 -0.47 -0.22 -1.18 0.00 0.00 179.01 177.94 1n95 h LYS 95 N 0.28 0.52 -0.21 1.92 3.64 -1.99 -1.06 116.57 119.67 1n95 h LYS 95 Ca 0.10 -0.41 -0.02 0.00 -1.27 0.00 0.00 60.65 59.05 1n95 h LYS 95 Cb 0.05 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1n95 h LYS 95 CO -0.02 1.03 0.05 0.35 -2.27 0.00 0.00 179.45 178.59 1n95 h PHE 96 N 0.12 0.36 -0.81 1.91 3.57 -1.83 -2.51 116.94 117.75 1n95 h PHE 96 Ca -0.03 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.40 1n95 h PHE 96 Cb 1.10 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.71 1n95 h PHE 96 CO 0.11 0.46 0.38 0.00 -2.23 0.00 0.00 178.31 177.03 1n95 h ARG 97 N 0.16 1.17 0.43 1.11 3.08 -1.32 -2.71 114.38 116.31 1n95 h ARG 97 Ca 0.07 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1n95 h ARG 97 Cb 0.28 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1n95 h ARG 97 CO 0.00 0.91 -0.21 0.22 -1.07 0.00 0.00 179.97 179.83 1n95 h ASP 98 N 1.16 -0.49 -0.42 7.04 3.58 -1.01 -0.33 116.42 125.95 1n95 h ASP 98 Ca 0.28 -0.04 0.04 0.00 0.42 0.00 0.00 57.03 57.72 1n95 h ASP 98 Cb 0.14 0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.27 1n95 h ASP 98 CO -0.03 -0.26 0.20 0.58 -2.88 0.00 0.00 179.24 176.84 1n95 h VAL 99 N -0.69 0.96 -0.14 2.25 2.07 -1.46 -2.71 116.25 116.53 1n95 h VAL 99 Ca -0.06 -0.14 -0.11 0.00 0.82 0.00 0.00 66.70 67.22 1n95 h VAL 99 Cb 0.50 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1n95 h VAL 99 CO 0.10 0.07 -0.39 1.88 0.02 0.00 0.00 177.57 179.25 1n95 h TYR 100 N 0.40 0.34 -0.44 1.57 -1.99 -1.44 0.99 116.97 116.41 1n95 h TYR 100 Ca 0.18 -0.09 -0.04 0.00 2.00 0.00 0.00 58.73 60.78 1n95 h TYR 100 Cb 0.10 -0.08 -0.02 0.00 2.00 0.00 0.00 36.73 38.73 1n95 h TYR 100 CO -0.11 0.64 0.11 -0.44 -0.00 0.00 0.00 178.16 178.36 1n95 h ASP 101 N 0.25 0.61 0.80 3.88 5.19 -0.82 0.88 116.42 127.20 1n95 h ASP 101 Ca 0.03 -0.09 -0.16 0.00 -0.62 0.00 0.00 57.03 56.18 1n95 h ASP 101 Cb 0.80 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.13 1n95 h ASP 101 CO 0.06 0.61 -0.78 1.88 -3.12 0.00 0.00 179.24 177.89 1n95 h TYR 102 N 0.64 0.00 -0.15 4.55 0.05 -1.13 -0.30 116.97 120.63 1n95 h TYR 102 Ca 0.15 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.83 1n95 h TYR 102 Cb 0.24 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.98 1n95 h TYR 102 CO 0.01 0.78 -0.27 0.35 -1.05 0.00 0.00 178.16 177.98 1n95 h PHE 103 N 0.00 0.57 -0.91 4.88 3.57 0.48 -2.21 116.94 123.30 1n95 h PHE 103 Ca -0.01 -0.20 0.18 0.00 3.53 0.00 0.00 57.97 61.48 1n95 h PHE 103 Cb 1.39 -0.11 -0.07 0.00 2.79 0.00 0.00 35.95 39.95 1n95 h PHE 103 CO 0.00 0.90 0.59 0.00 -2.23 0.00 0.00 178.31 177.57 1n95 h ARG 104 N 0.08 0.53 0.00 1.11 3.08 -0.89 -0.48 114.38 117.80 1n95 h ARG 104 Ca 0.01 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1n95 h ARG 104 Cb 0.85 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1n95 h ARG 104 CO 0.06 0.35 -0.00 0.00 -1.07 0.00 0.00 179.97 179.31 1n95 h ALA 105 N 1.61 -0.00 -0.61 0.04 0.00 -1.44 0.21 119.26 119.08 1n95 h ALA 105 Ca 0.48 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1n95 h ALA 105 Cb 0.99 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1n95 h ALA 105 CO -0.22 -0.12 0.30 0.28 0.00 0.00 0.00 179.25 179.48 1n95 h VAL 106 N -0.75 1.21 0.19 0.00 2.07 -1.12 0.24 116.25 118.09 1n95 h VAL 106 Ca -0.00 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 1n95 h VAL 106 Cb 0.75 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1n95 h VAL 106 CO 0.00 0.24 -0.09 0.25 0.02 0.00 0.00 177.57 177.99 1n95 h LEU 107 N 0.83 -0.22 -1.54 2.57 5.85 -1.19 0.40 115.31 122.01 1n95 h LEU 107 Ca 0.21 -0.19 0.15 0.00 0.84 0.00 0.00 57.88 58.89 1n95 h LEU 107 Cb 0.11 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 1n95 h LEU 107 CO -0.03 0.07 0.52 -0.61 -0.34 0.00 0.00 178.44 178.05 1n95 h GLN 108 N -0.52 0.44 0.00 1.25 4.15 -0.64 0.69 115.11 120.47 1n95 h GLN 108 Ca -0.03 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1n95 h GLN 108 Cb 0.39 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.98 1n95 h GLN 108 CO 0.04 0.29 -0.27 0.00 -1.93 0.00 0.00 178.83 176.97 1n95 h ARG 109 N 0.45 0.00 -4.73 1.69 3.08 -0.28 -3.47 114.38 111.12 1n95 h ARG 109 Ca 0.38 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 60.07 1n95 h ARG 109 Cb 0.85 0.00 0.09 0.00 0.08 0.00 0.00 29.97 30.99 1n95 h ARG 109 CO -0.13 0.00 -0.58 -3.47 -1.07 0.00 0.00 179.97 174.72 1n95 n ASP 110 N -2.90 -5.81 -4.60 7.04 2.03 0.24 -4.88 116.55 107.66 1n95 n ASP 110 Ca 0.03 -0.38 -0.43 0.00 0.52 0.00 0.00 54.79 54.53 1n95 n ASP 110 Cb 0.52 -4.53 -0.02 0.00 -0.72 0.00 0.00 41.12 36.37 1n95 n ASP 110 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1n95 s GLU 111 N -5.90 3.45 -1.07 -0.67 2.12 0.10 -4.87 118.70 111.86 1n95 s GLU 111 Ca 0.41 1.19 -0.03 0.00 0.36 0.00 0.00 54.97 56.90 1n95 s GLU 111 Cb -0.18 -4.11 0.31 0.00 0.26 0.00 0.00 34.13 30.41 1n95 s GLU 111 CO 0.51 -1.72 1.56 0.54 -0.54 0.00 0.00 175.26 175.61 1n95 n ARG 112 N 8.26 4.69 -4.27 4.30 1.74 -1.26 -4.79 116.66 125.33 1n95 n ARG 112 Ca 0.20 -4.58 -0.24 0.00 -0.77 0.00 0.00 57.85 52.46 1n95 n ARG 112 Cb 0.47 -2.50 -0.08 0.00 -1.02 0.00 0.00 32.46 29.33 1n95 n ARG 112 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1n95 s SER 113 N -1.72 4.35 0.27 0.55 1.04 -1.26 -4.77 113.70 112.16 1n95 s SER 113 Ca 0.33 -0.88 -0.03 0.00 0.48 0.00 0.00 55.95 55.85 1n95 s SER 113 Cb 0.08 -0.63 0.35 0.00 0.10 0.00 0.00 66.02 65.92 1n95 s SER 113 CO 0.06 -0.20 1.88 -0.08 0.98 0.00 0.00 173.24 175.89 1n95 h GLU 114 N 1.77 1.06 -0.12 4.02 4.57 -1.99 0.43 114.58 124.33 1n95 h GLU 114 Ca -0.43 -0.13 -0.12 0.00 -1.18 0.00 0.00 59.36 57.49 1n95 h GLU 114 Cb 1.25 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.62 1n95 h GLU 114 CO 0.64 0.80 -0.47 0.07 -1.18 0.00 0.00 179.01 178.87 1n95 h ARG 115 N 1.07 0.30 -0.64 1.92 0.11 -1.97 -1.33 114.38 113.82 1n95 h ARG 115 Ca 0.27 -0.16 -0.07 0.00 0.10 0.00 0.00 59.98 60.11 1n95 h ARG 115 Cb 0.06 0.01 -0.03 0.00 1.11 0.00 0.00 29.97 31.12 1n95 h ARG 115 CO -0.04 0.71 0.12 0.00 0.10 0.00 0.00 179.97 180.87 1n95 h ALA 116 N 1.26 0.85 0.28 0.08 0.00 -1.60 -2.25 119.26 117.88 1n95 h ALA 116 Ca 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1n95 h ALA 116 Cb 0.93 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1n95 h ALA 116 CO 0.08 0.60 -0.18 0.35 0.00 0.00 0.00 179.25 180.09 1n95 h PHE 117 N 0.97 -0.48 0.00 0.00 3.57 -0.50 -2.15 116.94 118.35 1n95 h PHE 117 Ca 0.20 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 1n95 h PHE 117 Cb 0.41 0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.32 1n95 h PHE 117 CO 0.03 -0.29 -0.00 0.87 -2.23 0.00 0.00 178.31 176.69 1n95 h LYS 118 N -0.45 0.00 0.01 1.11 1.57 -1.15 -2.68 116.57 114.98 1n95 h LYS 118 Ca -0.02 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.56 1n95 h LYS 118 Cb 0.39 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1n95 h LYS 118 CO 0.01 0.00 -0.90 1.25 -0.57 0.00 0.00 179.45 179.25 1n95 h LEU 119 N 0.00 0.18 -1.25 2.94 5.85 -0.80 -3.10 115.31 119.14 1n95 h LEU 119 Ca -0.00 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.50 1n95 h LEU 119 Cb 0.01 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1n95 h LEU 119 CO 0.00 0.99 -0.15 0.71 -0.34 0.00 0.00 178.44 179.65 1n95 h THR 120 N 0.07 1.21 -0.57 1.05 1.35 -1.06 -0.64 112.91 114.32 1n95 h THR 120 Ca -0.04 -0.94 0.08 0.00 -0.55 0.00 0.00 66.41 64.96 1n95 h THR 120 Cb 1.55 1.23 -0.06 0.00 -1.73 0.00 0.00 68.15 69.14 1n95 h THR 120 CO 0.13 0.30 0.22 -0.09 -0.25 0.00 0.00 175.52 175.83 1n95 h ARG 121 N 0.31 0.41 -0.15 4.72 1.12 -1.52 0.56 114.38 119.82 1n95 h ARG 121 Ca 0.06 -0.02 -0.19 0.00 -1.11 0.00 0.00 59.98 58.71 1n95 h ARG 121 Cb 0.46 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.32 1n95 h ARG 121 CO 0.03 0.27 -0.68 -0.44 -3.11 0.00 0.00 179.97 176.04 1n95 h ASP 122 N 0.42 0.72 0.00 -3.80 3.32 -1.39 -2.04 116.42 113.66 1n95 h ASP 122 Ca 0.28 -0.44 -0.07 0.00 0.02 0.00 0.00 57.03 56.81 1n95 h ASP 122 Cb 0.30 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1n95 h ASP 122 CO -0.26 1.20 -0.20 0.00 -1.72 0.00 0.00 179.24 178.26 1n95 h ALA 123 N 0.80 1.30 -0.07 3.45 0.00 -0.37 -1.50 119.26 122.86 1n95 h ALA 123 Ca -0.02 -0.28 -0.20 0.00 0.00 0.00 0.00 54.91 54.40 1n95 h ALA 123 Cb 1.27 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1n95 h ALA 123 CO 0.13 0.47 -0.79 0.82 0.00 0.00 0.00 179.25 179.88 1n95 h ILE 124 N 0.32 1.37 0.00 0.00 2.04 0.16 -2.58 117.51 118.82 1n95 h ILE 124 Ca 0.06 -2.18 -0.11 0.00 1.00 0.00 0.00 64.86 63.63 1n95 h ILE 124 Cb 0.53 2.16 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 1n95 h ILE 124 CO 0.04 0.66 -0.51 -0.08 0.00 0.00 0.00 178.15 178.26 1n95 h GLU 125 N 0.31 0.00 0.02 2.37 4.81 -0.81 0.19 114.58 121.46 1n95 h GLU 125 Ca -0.05 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.98 1n95 h GLU 125 Cb 1.39 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.75 1n95 h GLU 125 CO 0.14 0.51 -0.92 -0.07 -0.73 0.00 0.00 179.01 177.93 1n95 h LEU 126 N 0.00 0.21 -5.73 1.64 3.38 -1.23 -3.41 115.31 110.17 1n95 h LEU 126 Ca -0.01 -0.18 -0.22 0.00 0.09 0.00 0.00 57.88 57.56 1n95 h LEU 126 Cb 1.00 -0.07 -0.22 0.00 0.09 0.00 0.00 40.66 41.46 1n95 h LEU 126 CO 0.07 1.02 -0.58 0.21 0.09 0.00 0.00 178.44 179.25 1n95 s ASN 127 N -6.91 -0.62 0.63 -0.43 2.47 -0.98 -5.01 114.94 104.09 1n95 s ASN 127 Ca -0.02 -1.58 0.41 0.00 0.42 0.00 0.00 52.86 52.09 1n95 s ASN 127 Cb 0.10 1.38 2.23 0.00 -1.45 0.00 0.00 41.25 43.51 1n95 s ASN 127 CO 0.83 -0.14 2.26 0.00 -3.72 0.00 0.00 177.10 176.32 1n95 h ALA 128 N 6.08 1.03 -0.09 1.71 0.00 -0.87 -1.12 119.26 125.99 1n95 h ALA 128 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1n95 h ALA 128 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1n95 h ALA 128 CO 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.34 1n95 n ALA 129 N -2.03 2.55 -2.72 0.00 0.00 -1.26 -4.70 120.51 112.36 1n95 n ALA 129 Ca -0.03 -0.30 -0.42 0.00 0.00 0.00 0.00 53.44 52.69 1n95 n ALA 129 Cb 0.09 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.35 1n95 n ALA 129 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1n95 s ASN 130 N -1.47 6.31 0.52 0.00 3.84 -0.42 -4.86 114.94 118.87 1n95 s ASN 130 Ca 0.26 -1.10 0.29 0.00 0.21 0.00 0.00 52.86 52.51 1n95 s ASN 130 Cb 0.13 -2.49 1.45 0.00 -0.55 0.00 0.00 41.25 39.79 1n95 s ASN 130 CO 0.21 -1.51 2.06 0.10 -2.79 0.00 0.00 177.10 175.16 1n95 h TYR 131 N 9.63 0.00 -0.27 0.43 -0.00 -1.89 -2.74 116.97 122.13 1n95 h TYR 131 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 58.73 58.49 1n95 h TYR 131 Cb 1.04 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.77 1n95 h TYR 131 CO 1.11 0.11 -0.34 1.15 -0.00 0.00 0.00 178.16 180.20 1n95 h THR 132 N 0.00 1.31 -0.54 -0.90 2.02 -1.99 -1.50 112.91 111.30 1n95 h THR 132 Ca -0.00 -1.52 -0.12 0.00 0.77 0.00 0.00 66.41 65.54 1n95 h THR 132 Cb 0.37 1.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 1n95 h THR 132 CO 0.01 0.48 -0.11 0.58 0.37 0.00 0.00 175.52 176.85 1n95 h VAL 133 N 0.43 1.27 -0.18 3.16 2.07 -1.94 -2.20 116.25 118.86 1n95 h VAL 133 Ca 0.03 -1.27 -0.03 0.00 0.82 0.00 0.00 66.70 66.25 1n95 h VAL 133 Cb 0.92 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1n95 h VAL 133 CO 0.08 0.45 -0.01 -0.50 0.02 0.00 0.00 177.57 177.61 1n95 h TRP 134 N 0.90 0.25 0.14 1.57 4.06 -1.36 -0.84 115.95 120.69 1n95 h TRP 134 Ca 0.14 -0.01 -0.01 0.00 2.06 0.00 0.00 58.89 61.07 1n95 h TRP 134 Cb 0.69 -0.08 0.00 0.00 -1.00 0.00 0.00 29.16 28.77 1n95 h TRP 134 CO 0.05 0.28 -0.07 1.25 -3.56 0.00 0.00 178.44 176.38 1n95 h HIS 135 N 0.25 -0.18 -0.42 0.49 2.76 -0.91 -2.86 115.15 114.28 1n95 h HIS 135 Ca 0.06 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.28 1n95 h HIS 135 Cb 0.19 0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.19 1n95 h HIS 135 CO 0.00 0.26 0.28 0.35 -1.30 0.00 0.00 177.93 177.52 1n95 h PHE 136 N -0.71 0.34 -0.16 5.26 3.57 -1.21 -0.30 116.94 123.73 1n95 h PHE 136 Ca -0.02 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 1n95 h PHE 136 Cb 0.52 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 1n95 h PHE 136 CO 0.08 0.19 -0.32 -0.09 -2.23 0.00 0.00 178.31 175.94 1n95 h ARG 137 N 0.35 0.32 -0.08 1.11 2.43 -1.12 -1.46 114.38 115.93 1n95 h ARG 137 Ca 0.18 -0.13 -0.16 0.00 -0.81 0.00 0.00 59.98 59.06 1n95 h ARG 137 Cb 0.28 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1n95 h ARG 137 CO -0.04 0.61 -0.64 0.00 -1.51 0.00 0.00 179.97 178.39 1n95 h ARG 138 N 0.28 0.32 -0.39 0.20 3.08 -0.84 -0.77 114.38 116.27 1n95 h ARG 138 Ca 0.04 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 1n95 h ARG 138 Cb 0.71 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 1n95 h ARG 138 CO 0.05 0.85 0.18 0.28 -1.07 0.00 0.00 179.97 180.27 1n95 h VAL 139 N 0.23 1.17 -0.29 2.04 2.07 -1.04 -1.93 116.25 118.50 1n95 h VAL 139 Ca -0.01 -0.49 -0.06 0.00 0.82 0.00 0.00 66.70 66.95 1n95 h VAL 139 Cb 1.17 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1n95 h VAL 139 CO 0.10 0.18 -0.09 -0.07 0.02 0.00 0.00 177.57 177.72 1n95 h LEU 140 N 0.48 0.46 -0.85 2.57 3.38 -1.10 0.79 115.31 121.05 1n95 h LEU 140 Ca 0.13 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1n95 h LEU 140 Cb 0.13 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1n95 h LEU 140 CO -0.02 0.60 0.56 -0.07 0.09 0.00 0.00 178.44 179.60 1n95 h LEU 141 N 0.45 0.96 0.08 1.67 3.38 -0.40 0.33 115.31 121.77 1n95 h LEU 141 Ca 0.09 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1n95 h LEU 141 Cb 0.44 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1n95 h LEU 141 CO 0.02 0.68 -0.04 0.03 0.09 0.00 0.00 178.44 179.23 1n95 h ARG 142 N 1.13 -0.10 0.08 1.13 3.08 -0.91 -0.95 114.38 117.84 1n95 h ARG 142 Ca 0.32 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.37 1n95 h ARG 142 Cb -0.09 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 1n95 h ARG 142 CO -0.08 0.42 -0.08 1.03 -1.07 0.00 0.00 179.97 180.19 1n95 h SER 143 N -0.91 -0.21 0.01 7.04 0.87 -0.82 -1.32 113.55 118.22 1n95 h SER 143 Ca -0.01 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1n95 h SER 143 Cb 0.57 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 1n95 h SER 143 CO 0.02 -0.10 0.00 0.18 -0.53 0.00 0.00 176.83 176.39 1n95 n LEU 144 N -2.73 0.00 -3.45 2.23 4.77 0.10 -4.84 117.00 113.09 1n95 n LEU 144 Ca -0.02 0.11 -0.17 0.00 -0.03 0.00 0.00 56.01 55.90 1n95 n LEU 144 Cb 0.07 -0.11 0.01 0.00 -2.33 0.00 0.00 43.42 41.05 1n95 n LEU 144 CO 0.04 -0.11 -0.04 0.00 -1.33 0.00 0.00 177.39 175.96 1n95 n GLN 145 N -1.11 -1.60 -3.27 3.23 1.13 -0.50 -4.95 117.38 110.31 1n95 n GLN 145 Ca 0.01 1.20 -0.29 0.00 -1.94 0.00 0.00 57.00 55.98 1n95 n GLN 145 Cb 0.01 -3.64 -0.03 0.00 0.11 0.00 0.00 30.24 26.69 1n95 n GLN 145 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1n95 s LYS 146 N -3.81 3.65 -0.33 -1.09 -0.14 -0.38 -5.00 119.74 112.65 1n95 s LYS 146 Ca 0.07 0.07 -0.29 0.00 -1.36 0.00 0.00 55.97 54.47 1n95 s LYS 146 Cb -0.01 -2.61 -0.01 0.00 -1.68 0.00 0.00 37.83 33.52 1n95 s LYS 146 CO 0.84 0.18 1.64 0.34 -0.76 0.00 0.00 175.35 177.59 1n95 s ASP 147 N -3.16 6.14 0.27 2.83 -1.08 -1.26 -4.87 116.67 115.54 1n95 s ASP 147 Ca 0.45 1.24 0.03 0.00 -0.52 0.00 0.00 52.55 53.75 1n95 s ASP 147 Cb -0.11 -2.53 0.36 0.00 -1.46 0.00 0.00 42.92 39.19 1n95 s ASP 147 CO 0.30 -1.52 1.67 -0.07 0.52 0.00 0.00 175.17 176.07 1n95 h LEU 148 N 12.76 0.41 -1.23 -1.34 3.38 -1.95 -2.53 115.31 124.81 1n95 h LEU 148 Ca -0.32 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.44 1n95 h LEU 148 Cb 1.15 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1n95 h LEU 148 CO 1.04 0.76 0.11 -0.61 0.09 0.00 0.00 178.44 179.83 1n95 h GLN 149 N 0.33 0.64 -0.54 1.13 5.75 -1.99 0.71 115.11 121.15 1n95 h GLN 149 Ca 0.03 -0.11 -0.07 0.00 -0.15 0.00 0.00 58.65 58.35 1n95 h GLN 149 Cb 0.82 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.24 1n95 h GLN 149 CO 0.07 0.58 0.04 1.49 -2.65 0.00 0.00 178.83 178.36 1n95 h GLU 150 N 0.63 0.89 0.00 1.69 4.81 -1.91 -2.27 114.58 118.42 1n95 h GLU 150 Ca 0.15 -0.24 -0.11 0.00 -0.13 0.00 0.00 59.36 59.03 1n95 h GLU 150 Cb 0.23 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1n95 h GLU 150 CO -0.00 0.86 -0.54 1.49 -0.73 0.00 0.00 179.01 180.09 1n95 h GLU 151 N 0.83 0.00 -0.68 1.92 4.57 -0.32 -2.74 114.58 118.16 1n95 h GLU 151 Ca 0.16 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.32 1n95 h GLU 151 Cb 0.44 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.00 1n95 h GLU 151 CO 0.02 0.54 0.31 0.52 -1.18 0.00 0.00 179.01 179.21 1n95 h MET 152 N 0.00 0.98 -0.58 1.92 2.86 0.84 -1.33 114.93 119.62 1n95 h MET 152 Ca -0.01 -0.14 -0.10 0.00 -2.06 0.00 0.00 59.70 57.39 1n95 h MET 152 Cb 1.07 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.53 1n95 h MET 152 CO 0.07 0.77 -0.04 -0.91 1.06 0.00 0.00 176.91 177.86 1n95 h ASN 153 N 0.97 1.04 0.74 1.22 2.35 -1.17 -0.71 115.58 120.01 1n95 h ASN 153 Ca 0.24 -0.32 -0.04 0.00 -0.55 0.00 0.00 56.30 55.63 1n95 h ASN 153 Cb 0.13 -0.28 0.01 0.00 0.05 0.00 0.00 38.32 38.22 1n95 h ASN 153 CO -0.03 1.11 -0.35 0.22 -1.65 0.00 0.00 177.43 176.73 1n95 h TYR 154 N 0.94 -0.92 -0.39 1.19 3.20 -1.19 -2.17 116.97 117.64 1n95 h TYR 154 Ca 0.16 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.12 1n95 h TYR 154 Cb 0.60 0.30 -0.02 0.00 1.54 0.00 0.00 36.73 39.16 1n95 h TYR 154 CO 0.04 -0.57 0.34 0.97 -1.64 0.00 0.00 178.16 177.30 1n95 h ILE 155 N -0.99 0.57 -0.28 1.81 6.09 -1.26 -0.57 117.51 122.88 1n95 h ILE 155 Ca -0.10 0.00 -0.04 0.00 -1.37 0.00 0.00 64.86 63.35 1n95 h ILE 155 Cb 0.76 0.74 -0.01 0.00 0.47 0.00 0.00 36.82 38.78 1n95 h ILE 155 CO 0.17 0.00 0.03 0.74 -3.07 0.00 0.00 178.15 176.02 1n95 h THR 156 N 0.00 1.24 -0.42 2.19 2.02 -0.75 -1.19 112.91 116.00 1n95 h THR 156 Ca 0.18 -0.84 -0.13 0.00 0.77 0.00 0.00 66.41 66.40 1n95 h THR 156 Cb 0.86 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 1n95 h THR 156 CO -0.00 0.27 -0.24 0.00 0.37 0.00 0.00 175.52 175.92 1n95 h ALA 157 N 0.86 0.59 -0.75 6.16 0.00 -0.51 -2.59 119.26 123.01 1n95 h ALA 157 Ca 0.08 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 1n95 h ALA 157 Cb 0.37 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1n95 h ALA 157 CO 0.01 0.59 0.27 0.82 0.00 0.00 0.00 179.25 180.94 1n95 h ILE 158 N 0.72 1.26 -0.36 0.00 1.08 -1.22 -2.39 117.51 116.60 1n95 h ILE 158 Ca 0.09 -0.85 -0.11 0.00 -0.39 0.00 0.00 64.86 63.59 1n95 h ILE 158 Cb 0.81 0.40 -0.01 0.00 -3.07 0.00 0.00 36.82 34.94 1n95 h ILE 158 CO 0.07 0.34 -0.23 0.40 -0.69 0.00 0.00 178.15 178.04 1n95 h ILE 159 N 1.10 1.27 -0.22 -0.67 2.04 -1.21 0.04 117.51 119.86 1n95 h ILE 159 Ca 0.25 -1.33 -0.00 0.00 1.00 0.00 0.00 64.86 64.78 1n95 h ILE 159 Cb 0.26 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 1n95 h ILE 159 CO -0.01 0.44 0.13 -0.33 0.00 0.00 0.00 178.15 178.38 1n95 h GLU 160 N 0.63 0.29 0.19 2.37 4.39 -1.04 -0.75 114.58 120.65 1n95 h GLU 160 Ca 0.09 -0.02 -0.31 0.00 0.34 0.00 0.00 59.36 59.46 1n95 h GLU 160 Cb 0.72 -0.06 0.02 0.00 -0.10 0.00 0.00 28.75 29.33 1n95 h GLU 160 CO 0.06 0.20 -1.39 0.93 -1.16 0.00 0.00 179.01 177.65 1n95 h GLU 161 N 0.30 0.39 -2.17 2.33 5.08 -0.87 -3.40 114.58 116.25 1n95 h GLU 161 Ca 0.08 -0.67 -0.58 0.00 -1.00 0.00 0.00 59.36 57.19 1n95 h GLU 161 Cb -0.01 0.25 -0.40 0.00 0.50 0.00 0.00 28.75 29.09 1n95 h GLU 161 CO -0.02 1.32 -0.93 1.04 -1.00 0.00 0.00 179.01 179.42 1n95 n GLN 162 N -3.61 1.13 0.00 2.33 1.13 -0.08 -4.96 117.38 113.32 1n95 n GLN 162 Ca -0.13 -3.64 0.08 0.00 -1.94 0.00 0.00 57.00 51.37 1n95 n GLN 162 Cb 1.06 -1.59 0.48 0.00 0.11 0.00 0.00 30.24 30.30 1n95 n GLN 162 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1n95 n PRO 163 N 1.52 0.62 -0.04 -1.09 -0.04 -0.32 -2.42 135.00 133.24 1n95 n PRO 163 Ca 0.24 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.76 1n95 n PRO 163 Cb 0.48 -1.41 0.07 0.00 -0.04 0.00 0.00 33.50 32.61 1n95 n PRO 163 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1n95 n LYS 164 N -0.91 2.10 -3.26 0.54 5.02 -1.26 -4.74 118.16 115.65 1n95 n LYS 164 Ca 0.12 -2.07 -0.39 0.00 -2.02 0.00 0.00 58.31 53.95 1n95 n LYS 164 Cb 0.06 -1.26 -0.06 0.00 -0.02 0.00 0.00 35.03 33.74 1n95 n LYS 164 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1n95 s ASN 165 N -1.99 6.98 0.14 4.39 3.84 -1.01 -5.00 114.94 122.29 1n95 s ASN 165 Ca 0.17 1.17 -0.03 0.00 0.21 0.00 0.00 52.86 54.37 1n95 s ASN 165 Cb 0.15 -2.35 -0.06 0.00 -0.55 0.00 0.00 41.25 38.44 1n95 s ASN 165 CO 0.02 0.18 1.34 1.88 -2.79 0.00 0.00 177.10 177.73 1n95 h TYR 166 N 5.19 0.59 -0.26 0.43 -1.99 -1.94 -3.34 116.97 115.63 1n95 h TYR 166 Ca -0.47 -0.30 -0.16 0.00 2.00 0.00 0.00 58.73 59.79 1n95 h TYR 166 Cb 1.21 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 39.86 1n95 h TYR 166 CO 0.67 1.11 -0.49 1.96 -0.00 0.00 0.00 178.16 181.41 1n95 h GLN 167 N 0.24 0.72 -0.59 4.88 7.50 -1.94 -2.93 115.11 122.99 1n95 h GLN 167 Ca -0.07 -0.42 -0.08 0.00 0.50 0.00 0.00 58.65 58.58 1n95 h GLN 167 Cb 1.51 0.04 -0.02 0.00 0.05 0.00 0.00 27.48 29.05 1n95 h GLN 167 CO 0.15 1.04 0.05 -0.39 -1.50 0.00 0.00 178.83 178.18 1n95 h VAL 168 N 0.57 1.26 -0.39 -0.54 -1.51 -1.87 0.38 116.25 114.15 1n95 h VAL 168 Ca 0.03 -1.07 -0.13 0.00 -1.23 0.00 0.00 66.70 64.30 1n95 h VAL 168 Cb 1.05 0.79 -0.01 0.00 -2.13 0.00 0.00 31.29 30.99 1n95 h VAL 168 CO 0.10 0.39 -0.27 -0.50 -1.23 0.00 0.00 177.57 176.06 1n95 h TRP 169 N 0.91 1.02 -0.41 5.19 4.06 -1.68 -2.31 115.95 122.73 1n95 h TRP 169 Ca 0.17 -0.28 -0.09 0.00 2.06 0.00 0.00 58.89 60.76 1n95 h TRP 169 Cb 0.49 -0.23 -0.02 0.00 -1.00 0.00 0.00 29.16 28.40 1n95 h TRP 169 CO 0.04 1.07 -0.12 1.25 -3.56 0.00 0.00 178.44 177.12 1n95 h HIS 170 N 0.68 0.80 -0.57 0.49 2.76 -1.38 -1.61 115.15 116.32 1n95 h HIS 170 Ca 0.08 -0.14 -0.07 0.00 -2.20 0.00 0.00 60.37 58.03 1n95 h HIS 170 Cb 0.84 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.57 1n95 h HIS 170 CO 0.06 0.81 0.07 1.25 -1.30 0.00 0.00 177.93 178.82 1n95 h HIS 171 N 0.66 1.02 -0.66 5.26 -0.00 -0.84 -1.70 115.15 118.90 1n95 h HIS 171 Ca 0.11 -0.15 -0.05 0.00 -0.00 0.00 0.00 60.37 60.28 1n95 h HIS 171 Cb 0.58 -0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 27.68 1n95 h HIS 171 CO 0.03 0.90 0.21 -0.09 -0.00 0.00 0.00 177.93 178.98 1n95 h ARG 172 N 0.85 1.00 -0.35 5.26 2.43 -1.11 -2.03 114.38 120.43 1n95 h ARG 172 Ca 0.17 -0.20 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 1n95 h ARG 172 Cb 0.44 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 1n95 h ARG 172 CO 0.01 0.85 -0.15 -0.09 -1.51 0.00 0.00 179.97 179.09 1n95 h ARG 173 N 0.97 0.63 -0.43 0.20 2.43 -0.96 -1.87 114.38 115.35 1n95 h ARG 173 Ca 0.22 -0.21 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 1n95 h ARG 173 Cb 0.27 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1n95 h ARG 173 CO -0.01 0.76 -0.02 0.28 -1.51 0.00 0.00 179.97 179.47 1n95 h VAL 174 N 0.57 1.26 -0.31 0.20 2.07 -0.75 -1.88 116.25 117.42 1n95 h VAL 174 Ca 0.10 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 1n95 h VAL 174 Cb 0.59 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1n95 h VAL 174 CO 0.04 0.37 0.16 -0.07 0.02 0.00 0.00 177.57 178.09 1n95 h LEU 175 N 0.61 0.39 -1.56 2.57 3.38 -1.14 0.12 115.31 119.68 1n95 h LEU 175 Ca 0.12 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1n95 h LEU 175 Cb 0.52 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1n95 h LEU 175 CO 0.03 0.38 0.24 0.58 0.09 0.00 0.00 178.44 179.76 1n95 h VAL 176 N 0.38 1.12 -0.13 1.22 2.07 -1.25 0.15 116.25 119.80 1n95 h VAL 176 Ca 0.11 -0.26 -0.10 0.00 0.82 0.00 0.00 66.70 67.27 1n95 h VAL 176 Cb 0.08 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1n95 h VAL 176 CO -0.02 0.12 -0.30 -0.33 0.02 0.00 0.00 177.57 177.06 1n95 h GLU 177 N 0.55 0.43 -0.66 1.57 5.08 -0.83 0.59 114.58 121.31 1n95 h GLU 177 Ca 0.14 -0.29 0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1n95 h GLU 177 Cb -0.02 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 1n95 h GLU 177 CO -0.03 0.90 0.40 -1.49 -1.00 0.00 0.00 179.01 177.79 1n95 h TRP 178 N 0.03 0.74 0.00 4.33 6.55 -0.10 -2.35 115.95 125.15 1n95 h TRP 178 Ca -0.00 0.02 -0.00 0.00 0.95 0.00 0.00 58.89 59.86 1n95 h TRP 178 Cb 0.90 -0.24 -0.00 0.00 -0.86 0.00 0.00 29.16 28.97 1n95 h TRP 178 CO 0.10 0.40 -0.32 -0.07 -1.05 0.00 0.00 178.44 177.51 1n95 h LEU 179 N 0.77 0.00 0.30 -4.49 3.38 -0.71 -3.47 115.31 111.09 1n95 h LEU 179 Ca 0.28 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.84 1n95 h LEU 179 Cb 0.07 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.87 1n95 h LEU 179 CO -0.13 0.02 -0.63 0.29 0.09 0.00 0.00 178.44 178.08 1n95 n LYS 180 N -2.98 -5.45 -3.90 1.13 4.01 0.20 -4.96 118.16 106.22 1n95 n LYS 180 Ca 0.03 0.79 -0.30 0.00 -0.51 0.00 0.00 58.31 58.32 1n95 n LYS 180 Cb 0.54 -5.68 -0.15 0.00 -0.51 0.00 0.00 35.03 29.23 1n95 n LYS 180 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1n95 s ASP 181 N -2.91 4.45 -0.02 4.39 2.15 -1.01 -4.96 116.67 118.75 1n95 s ASP 181 Ca 0.42 -1.93 0.19 0.00 0.43 0.00 0.00 52.55 51.66 1n95 s ASP 181 Cb -0.20 -1.30 0.57 0.00 -0.30 0.00 0.00 42.92 41.70 1n95 s ASP 181 CO 0.52 -0.39 1.48 -0.81 -0.17 0.00 0.00 175.17 175.80 1n95 n PRO 182 N 4.51 2.67 0.30 4.34 -0.04 -1.26 -4.61 135.00 140.91 1n95 n PRO 182 Ca 0.01 -2.32 0.20 0.00 -0.04 0.00 0.00 63.50 61.35 1n95 n PRO 182 Cb 0.42 -1.56 1.03 0.00 -0.04 0.00 0.00 33.50 33.35 1n95 n PRO 182 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1n95 h SER 183 N 3.66 0.00 0.00 3.54 4.64 -1.99 -2.93 113.55 120.47 1n95 h SER 183 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n95 h SER 183 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1n95 h SER 183 CO 0.05 0.00 -1.30 0.00 -0.87 0.00 0.00 176.83 174.71 1n95 n GLN 184 N -2.96 1.14 0.07 4.77 6.02 -1.26 -4.80 117.38 120.36 1n95 n GLN 184 Ca -0.02 -0.08 -0.13 0.00 -0.01 0.00 0.00 57.00 56.76 1n95 n GLN 184 Cb 0.12 -1.27 -0.08 0.00 1.02 0.00 0.00 30.24 30.03 1n95 n GLN 184 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1n95 h GLU 185 N 0.00 -0.55 -0.08 -1.09 4.39 -1.84 -1.71 114.58 113.70 1n95 h GLU 185 Ca 0.00 0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.76 1n95 h GLU 185 Cb 0.53 0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1n95 h GLU 185 CO 0.00 -0.37 0.06 -0.07 -1.16 0.00 0.00 179.01 177.47 1n95 h LEU 186 N -0.57 0.00 -0.07 1.33 3.38 -1.87 0.17 115.31 117.67 1n95 h LEU 186 Ca -0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 1n95 h LEU 186 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1n95 h LEU 186 CO -0.24 0.00 -1.05 -0.08 0.09 0.00 0.00 178.44 177.15 1n95 h GLU 187 N 0.00 0.36 0.00 1.13 4.81 -1.86 -2.09 114.58 116.93 1n95 h GLU 187 Ca 0.04 -0.46 -0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1n95 h GLU 187 Cb 0.16 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1n95 h GLU 187 CO -0.00 1.15 -0.00 0.35 -0.73 0.00 0.00 179.01 179.78 1n95 h PHE 188 N 0.17 -0.00 -0.15 0.92 3.57 -0.34 -2.84 116.94 118.28 1n95 h PHE 188 Ca -0.10 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.44 1n95 h PHE 188 Cb 1.72 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.41 1n95 h PHE 188 CO 0.06 0.59 -0.16 0.82 -2.23 0.00 0.00 178.31 177.38 1n95 h ILE 189 N -0.59 0.56 -0.34 1.41 2.04 -1.09 0.11 117.51 119.61 1n95 h ILE 189 Ca -0.00 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.96 1n95 h ILE 189 Cb 0.59 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1n95 h ILE 189 CO 0.00 0.00 0.33 0.00 0.00 0.00 0.00 178.15 178.48 1n95 h ALA 190 N 0.86 2.07 0.05 1.87 0.00 -1.42 0.38 119.26 123.08 1n95 h ALA 190 Ca 0.10 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.76 1n95 h ALA 190 Cb 0.35 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1n95 h ALA 190 CO -0.26 -0.50 -1.05 0.22 0.00 0.00 0.00 179.25 177.65 1n95 h ASP 191 N 0.00 0.44 -0.14 0.00 3.58 -0.54 -2.25 116.42 117.51 1n95 h ASP 191 Ca 0.16 -0.40 -0.10 0.00 0.42 0.00 0.00 57.03 57.11 1n95 h ASP 191 Cb 0.82 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.73 1n95 h ASP 191 CO -0.00 1.24 -0.29 0.40 -2.88 0.00 0.00 179.24 177.70 1n95 h ILE 192 N 0.14 1.36 0.00 2.25 1.08 0.21 -2.56 117.51 120.00 1n95 h ILE 192 Ca -0.10 -1.56 0.00 0.00 -0.39 0.00 0.00 64.86 62.82 1n95 h ILE 192 Cb 1.73 2.01 0.00 0.00 -3.07 0.00 0.00 36.82 37.49 1n95 h ILE 192 CO 0.17 0.46 0.00 0.18 -0.69 0.00 0.00 178.15 178.28 1n95 n LEU 193 N -4.40 0.00 0.07 1.44 4.77 0.99 -0.64 117.00 119.23 1n95 n LEU 193 Ca -0.07 0.23 0.05 0.00 -0.03 0.00 0.00 56.01 56.20 1n95 n LEU 193 Cb 0.47 -0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 41.29 1n95 n LEU 193 CO 0.42 -0.15 -0.15 -3.20 -1.33 0.00 0.00 177.39 172.99 1n95 n ASN 194 N -1.23 0.85 -0.01 -1.43 4.05 -0.85 -2.33 115.26 114.31 1n95 n ASN 194 Ca 0.06 0.35 -0.03 0.00 0.45 0.00 0.00 54.58 55.41 1n95 n ASN 194 Cb 0.08 0.30 -0.12 0.00 1.23 0.00 0.00 39.78 41.27 1n95 n ASN 194 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1n95 n GLN 195 N -2.79 0.64 -3.27 1.20 6.02 0.19 -4.75 117.38 114.63 1n95 n GLN 195 Ca -0.05 0.15 -0.06 0.00 -0.01 0.00 0.00 57.00 57.03 1n95 n GLN 195 Cb 0.70 -1.72 -0.04 0.00 1.02 0.00 0.00 30.24 30.21 1n95 n GLN 195 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1n95 s ASP 196 N -5.67 -0.42 0.00 1.08 -1.08 -0.46 -5.02 116.67 105.11 1n95 s ASP 196 Ca -0.05 -1.00 0.00 0.00 -0.52 0.00 0.00 52.55 50.98 1n95 s ASP 196 Cb 0.08 1.39 0.00 0.00 -1.46 0.00 0.00 42.92 42.94 1n95 s ASP 196 CO 0.83 -0.22 0.40 0.00 0.52 0.00 0.00 175.17 176.69 1n95 n ALA 197 N 4.47 1.26 -1.73 3.66 0.00 -0.99 -1.94 120.51 125.24 1n95 n ALA 197 Ca 0.10 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.58 1n95 n ALA 197 Cb 0.52 -0.84 0.05 0.00 0.00 0.00 0.00 19.45 19.18 1n95 n ALA 197 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1n95 n LYS 198 N -0.89 0.45 -1.69 0.00 5.02 -1.26 -4.84 118.16 114.95 1n95 n LYS 198 Ca 0.00 -1.63 -0.42 0.00 -2.02 0.00 0.00 58.31 54.24 1n95 n LYS 198 Cb 0.00 -0.82 -0.03 0.00 -0.02 0.00 0.00 35.03 34.16 1n95 n LYS 198 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1n95 s ASN 199 N -1.72 6.41 0.20 4.39 3.84 -0.82 -4.83 114.94 122.40 1n95 s ASN 199 Ca 0.13 2.60 -0.10 0.00 0.21 0.00 0.00 52.86 55.70 1n95 s ASN 199 Cb 0.12 -2.53 0.13 0.00 -0.55 0.00 0.00 41.25 38.43 1n95 s ASN 199 CO -0.00 -1.10 1.78 0.22 -2.79 0.00 0.00 177.10 175.21 1n95 h TYR 200 N 10.79 1.05 -0.71 0.43 3.20 -1.92 -2.33 116.97 127.48 1n95 h TYR 200 Ca -0.48 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.28 1n95 h TYR 200 Cb 1.23 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 39.15 1n95 h TYR 200 CO 0.95 0.79 0.27 0.45 -1.64 0.00 0.00 178.16 178.98 1n95 h HIS 201 N 1.02 1.09 -0.48 -3.82 3.86 -1.88 -0.92 115.15 114.02 1n95 h HIS 201 Ca 0.25 -0.09 -0.02 0.00 -1.16 0.00 0.00 60.37 59.34 1n95 h HIS 201 Cb 0.14 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.27 1n95 h HIS 201 CO 0.01 0.85 0.20 0.00 0.86 0.00 0.00 177.93 179.85 1n95 h ALA 202 N 1.13 0.62 -0.46 2.45 0.00 -1.79 0.10 119.26 121.31 1n95 h ALA 202 Ca 0.24 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1n95 h ALA 202 Cb 0.23 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1n95 h ALA 202 CO -0.02 0.21 -0.24 -1.49 0.00 0.00 0.00 179.25 177.72 1n95 h TRP 203 N 0.63 1.10 -0.43 0.00 4.06 -1.24 -0.59 115.95 119.48 1n95 h TRP 203 Ca 0.16 -0.27 -0.07 0.00 2.06 0.00 0.00 58.89 60.77 1n95 h TRP 203 Cb 0.17 -0.25 -0.02 0.00 -1.00 0.00 0.00 29.16 28.06 1n95 h TRP 203 CO 0.00 1.09 0.01 0.37 -3.56 0.00 0.00 178.44 176.35 1n95 h GLN 204 N 0.82 0.75 -0.57 0.49 4.15 -0.99 -0.90 115.11 118.86 1n95 h GLN 204 Ca 0.10 -0.23 -0.07 0.00 0.77 0.00 0.00 58.65 59.21 1n95 h GLN 204 Cb 0.81 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.41 1n95 h GLN 204 CO 0.07 0.82 0.07 1.25 -1.93 0.00 0.00 178.83 179.11 1n95 h HIS 205 N 0.59 1.02 -0.34 3.99 2.76 -0.73 -2.57 115.15 119.87 1n95 h HIS 205 Ca 0.12 -0.15 0.04 0.00 -2.20 0.00 0.00 60.37 58.18 1n95 h HIS 205 Cb 0.47 -0.28 -0.04 0.00 1.55 0.00 0.00 27.41 29.12 1n95 h HIS 205 CO 0.04 0.90 0.10 -0.09 -1.30 0.00 0.00 177.93 177.58 1n95 h ARG 206 N 0.85 0.23 0.00 5.26 2.43 -0.78 -1.49 114.38 120.88 1n95 h ARG 206 Ca 0.17 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1n95 h ARG 206 Cb 0.44 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1n95 h ARG 206 CO 0.02 0.15 -0.05 1.96 -1.51 0.00 0.00 179.97 180.54 1n95 h GLN 207 N 0.24 0.00 -0.08 0.20 4.20 -1.01 -1.84 115.11 116.82 1n95 h GLN 207 Ca 0.16 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.79 1n95 h GLN 207 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1n95 h GLN 207 CO -0.17 0.05 -0.26 2.35 -0.67 0.00 0.00 178.83 180.12 1n95 h TRP 208 N 0.00 0.41 -0.94 2.96 7.01 -0.93 -0.77 115.95 123.70 1n95 h TRP 208 Ca -0.00 -0.17 0.01 0.00 2.11 0.00 0.00 58.89 60.84 1n95 h TRP 208 Cb 0.09 -0.07 -0.05 0.00 -2.10 0.00 0.00 29.16 27.03 1n95 h TRP 208 CO 0.00 0.88 0.62 0.28 -2.79 0.00 0.00 178.44 177.43 1n95 h VAL 209 N -0.17 1.23 -0.06 2.65 2.07 -0.87 -0.13 116.25 120.98 1n95 h VAL 209 Ca -0.01 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1n95 h VAL 209 Cb 0.89 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1n95 h VAL 209 CO 0.06 0.23 -0.03 0.40 0.02 0.00 0.00 177.57 178.25 1n95 h ILE 210 N 1.26 1.33 0.41 4.57 2.04 -1.38 -2.22 117.51 123.53 1n95 h ILE 210 Ca 0.35 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.14 1n95 h ILE 210 Cb -0.13 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1n95 h ILE 210 CO -0.08 0.29 -0.20 -0.61 0.00 0.00 0.00 178.15 177.55 1n95 h GLN 211 N -0.27 -0.53 -0.47 2.37 4.15 -0.94 0.87 115.11 120.29 1n95 h GLN 211 Ca 0.01 0.04 0.09 0.00 0.77 0.00 0.00 58.65 59.56 1n95 h GLN 211 Cb 0.47 0.12 -0.08 0.00 0.21 0.00 0.00 27.48 28.20 1n95 h GLN 211 CO 0.01 -0.36 -0.07 0.93 -1.93 0.00 0.00 178.83 177.42 1n95 h GLU 212 N -0.57 0.04 -0.41 1.69 4.39 -1.15 -1.85 114.58 116.73 1n95 h GLU 212 Ca -0.06 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1n95 h GLU 212 Cb 0.42 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1n95 h GLU 212 CO 0.09 0.03 0.00 1.19 -1.16 0.00 0.00 179.01 179.16 1n95 n PHE 213 N -5.29 0.54 -3.88 4.33 3.01 -0.83 -4.95 117.46 110.38 1n95 n PHE 213 Ca 0.04 -0.27 -0.27 0.00 1.01 0.00 0.00 57.45 57.96 1n95 n PHE 213 Cb 0.25 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.72 1n95 n PHE 213 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1n95 n ARG 214 N 0.90 -2.76 -2.16 -1.08 1.74 0.17 -4.89 116.66 108.59 1n95 n ARG 214 Ca 0.17 0.42 -0.38 0.00 -0.77 0.00 0.00 57.85 57.28 1n95 n ARG 214 Cb 0.43 -4.39 0.03 0.00 -1.02 0.00 0.00 32.46 27.51 1n95 n ARG 214 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1n95 n LEU 215 N -4.37 7.04 0.12 0.55 4.77 -0.42 -4.79 117.00 119.90 1n95 n LEU 215 Ca -0.25 -5.02 -0.01 0.00 -0.03 0.00 0.00 56.01 50.70 1n95 n LEU 215 Cb 0.66 -0.99 0.02 0.00 -2.33 0.00 0.00 43.42 40.78 1n95 n LEU 215 CO 0.73 1.89 0.38 -0.50 -1.33 0.00 0.00 177.39 178.56 1n95 h TRP 216 N 3.16 0.00 -0.83 -1.77 4.06 -1.90 -3.42 115.95 115.25 1n95 h TRP 216 Ca 0.52 0.00 0.21 0.00 2.06 0.00 0.00 58.89 61.67 1n95 h TRP 216 Cb 0.20 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.23 1n95 h TRP 216 CO 1.15 0.68 0.13 -0.44 -3.56 0.00 0.00 178.44 176.40 1n95 h ASP 217 N 0.00 -0.17 -0.45 -3.49 3.45 -1.99 -2.91 116.42 110.87 1n95 h ASP 217 Ca -0.01 0.20 0.00 0.00 0.43 0.00 0.00 57.03 57.65 1n95 h ASP 217 Cb 1.44 0.31 0.00 0.00 -0.56 0.00 0.00 39.33 40.52 1n95 h ASP 217 CO 0.09 -0.17 0.00 0.59 -1.57 0.00 0.00 179.24 178.18 1n95 n ASN 218 N -5.29 3.47 0.12 6.45 4.13 -1.26 -4.59 115.26 118.28 1n95 n ASN 218 Ca 0.18 -2.18 -0.02 0.00 1.68 0.00 0.00 54.58 54.24 1n95 n ASN 218 Cb 0.60 -0.36 0.10 0.00 -1.54 0.00 0.00 39.78 38.57 1n95 n ASN 218 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1n95 h GLU 219 N 2.68 0.00 0.00 3.52 4.57 -1.78 -2.87 114.58 120.71 1n95 h GLU 219 Ca 0.00 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.06 1n95 h GLU 219 Cb 0.96 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.53 1n95 h GLU 219 CO 0.06 0.70 -0.59 1.25 -1.18 0.00 0.00 179.01 179.24 1n95 h LEU 220 N 0.00 0.00 -0.94 1.64 5.85 -1.81 -0.91 115.31 119.14 1n95 h LEU 220 Ca -0.01 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 1n95 h LEU 220 Cb 1.28 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 1n95 h LEU 220 CO 0.09 0.59 -0.40 1.56 -0.34 0.00 0.00 178.44 179.94 1n95 h GLN 221 N 0.00 0.26 -0.14 1.25 7.50 -1.84 -1.67 115.11 120.46 1n95 h GLN 221 Ca -0.01 -0.12 -0.07 0.00 0.50 0.00 0.00 58.65 58.95 1n95 h GLN 221 Cb 1.06 -0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.59 1n95 h GLN 221 CO 0.08 0.62 -0.18 -0.92 -1.50 0.00 0.00 178.83 176.93 1n95 h TYR 222 N 0.22 0.46 -0.55 2.96 3.20 -1.18 -2.35 116.97 119.72 1n95 h TYR 222 Ca 0.02 -0.15 0.04 0.00 3.14 0.00 0.00 58.73 61.78 1n95 h TYR 222 Cb 0.81 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.95 1n95 h TYR 222 CO 0.02 0.80 0.31 0.28 -1.64 0.00 0.00 178.16 177.92 1n95 h VAL 223 N -0.01 1.00 -0.61 1.81 2.07 -1.03 -0.69 116.25 118.79 1n95 h VAL 223 Ca 0.02 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1n95 h VAL 223 Cb 0.74 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1n95 h VAL 223 CO 0.04 0.11 0.23 0.44 0.02 0.00 0.00 177.57 178.42 1n95 h ASP 224 N 0.59 0.82 0.45 0.57 3.32 -1.28 0.16 116.42 121.05 1n95 h ASP 224 Ca 0.24 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1n95 h ASP 224 Cb 0.10 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1n95 h ASP 224 CO -0.14 0.74 -0.22 -0.61 -1.72 0.00 0.00 179.24 177.30 1n95 h GLN 225 N 0.88 -0.59 -0.12 3.56 4.15 -0.69 -1.98 115.11 120.33 1n95 h GLN 225 Ca 0.21 0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.63 1n95 h GLN 225 Cb 0.19 0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 1n95 h GLN 225 CO -0.02 -0.33 -0.09 -0.07 -1.93 0.00 0.00 178.83 176.39 1n95 h LEU 226 N -0.73 0.16 -1.18 -2.39 3.38 -0.91 -0.65 115.31 113.00 1n95 h LEU 226 Ca -0.06 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1n95 h LEU 226 Cb 0.52 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1n95 h LEU 226 CO 0.10 0.28 0.00 -0.07 0.09 0.00 0.00 178.44 178.84 1n95 h LEU 227 N 0.17 0.00 0.03 1.67 3.38 -0.46 -1.26 115.31 118.84 1n95 h LEU 227 Ca 0.04 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.76 1n95 h LEU 227 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1n95 h LEU 227 CO 0.01 0.00 -1.12 0.50 0.09 0.00 0.00 178.44 177.93 1n95 h LYS 228 N 0.00 0.19 -0.20 1.13 3.64 -0.36 -2.87 116.57 118.11 1n95 h LYS 228 Ca 0.00 -0.30 -0.21 0.00 -1.27 0.00 0.00 60.65 58.86 1n95 h LYS 228 Cb 0.58 0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1n95 h LYS 228 CO 0.00 1.12 -0.71 0.93 -2.27 0.00 0.00 179.45 178.52 1n95 h GLU 229 N 0.06 0.83 -1.57 1.90 5.08 -0.84 -3.42 114.58 116.63 1n95 h GLU 229 Ca -0.09 -0.63 -0.22 0.00 -1.00 0.00 0.00 59.36 57.43 1n95 h GLU 229 Cb 1.84 0.12 -0.26 0.00 0.50 0.00 0.00 28.75 30.94 1n95 h GLU 229 CO 0.17 1.24 -0.57 0.34 -1.00 0.00 0.00 179.01 179.20 1n95 s ASP 230 N -7.07 0.06 0.03 1.42 -1.08 -0.54 -4.99 116.67 104.49 1n95 s ASP 230 Ca -0.10 -1.01 0.06 0.00 -0.52 0.00 0.00 52.55 50.98 1n95 s ASP 230 Cb 0.09 1.17 0.27 0.00 -1.46 0.00 0.00 42.92 42.99 1n95 s ASP 230 CO 0.90 -0.25 1.18 0.55 0.52 0.00 0.00 175.17 178.07 1n95 n VAL 231 N 4.58 1.65 0.14 1.11 3.14 -1.08 -0.52 118.33 127.35 1n95 n VAL 231 Ca 0.09 0.45 0.09 0.00 -2.96 0.00 0.00 64.34 62.00 1n95 n VAL 231 Cb 0.50 -1.38 0.26 0.00 -1.06 0.00 0.00 33.84 32.16 1n95 n VAL 231 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1n95 n ARG 232 N -1.57 2.41 -2.60 1.45 1.74 -1.26 -4.77 116.66 112.07 1n95 n ARG 232 Ca 0.01 -2.08 -0.42 0.00 -0.77 0.00 0.00 57.85 54.59 1n95 n ARG 232 Cb 0.05 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 29.99 1n95 n ARG 232 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1n95 s ASN 233 N -0.98 6.57 0.57 0.55 3.84 0.32 -4.85 114.94 120.95 1n95 s ASN 233 Ca 0.39 -1.66 0.30 0.00 0.21 0.00 0.00 52.86 52.10 1n95 s ASN 233 Cb 0.21 -2.56 1.45 0.00 -0.55 0.00 0.00 41.25 39.80 1n95 s ASN 233 CO 0.25 -1.42 1.84 -1.13 -2.79 0.00 0.00 177.10 173.86 1n95 h ASN 234 N 9.36 0.00 0.05 -4.21 -1.24 -1.88 0.57 115.58 118.22 1n95 h ASN 234 Ca 0.24 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 57.16 1n95 h ASN 234 Cb 0.99 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.03 1n95 h ASN 234 CO 1.41 0.00 -0.27 0.28 -1.29 0.00 0.00 177.43 177.56 1n95 h SER 235 N 0.00 0.36 0.23 1.15 0.02 -1.89 -0.82 113.55 112.59 1n95 h SER 235 Ca 0.34 -0.12 -0.28 0.00 -0.84 0.00 0.00 61.79 60.89 1n95 h SER 235 Cb 1.58 -0.10 0.02 0.00 0.14 0.00 0.00 62.40 64.05 1n95 h SER 235 CO -0.00 0.62 -1.20 0.58 -1.14 0.00 0.00 176.83 175.69 1n95 h VAL 236 N 0.32 1.33 -0.76 2.27 2.07 -1.22 -0.92 116.25 119.34 1n95 h VAL 236 Ca 0.05 -2.54 -0.05 0.00 0.82 0.00 0.00 66.70 64.98 1n95 h VAL 236 Cb 0.64 2.68 -0.03 0.00 -1.52 0.00 0.00 31.29 33.06 1n95 h VAL 236 CO 0.05 0.76 0.28 -0.50 0.02 0.00 0.00 177.57 178.18 1n95 h TRP 237 N 0.25 1.18 -0.58 1.57 4.06 -1.26 0.51 115.95 121.68 1n95 h TRP 237 Ca -0.16 -0.10 -0.07 0.00 2.06 0.00 0.00 58.89 60.62 1n95 h TRP 237 Cb 1.87 -0.35 -0.02 0.00 -1.00 0.00 0.00 29.16 29.66 1n95 h TRP 237 CO 0.10 0.91 0.10 -0.97 -3.56 0.00 0.00 178.44 175.02 1n95 h ASN 238 N 1.11 0.91 -0.28 -3.49 -1.24 -1.14 -2.66 115.58 108.80 1n95 h ASN 238 Ca 0.25 -0.26 -0.04 0.00 0.71 0.00 0.00 56.30 56.96 1n95 h ASN 238 Cb 0.25 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.04 1n95 h ASN 238 CO -0.02 0.93 0.06 -0.61 -1.29 0.00 0.00 177.43 176.51 1n95 h GLN 239 N 0.85 0.55 -0.21 6.67 5.75 -0.43 0.31 115.11 128.60 1n95 h GLN 239 Ca 0.18 -0.10 -0.08 0.00 -0.15 0.00 0.00 58.65 58.50 1n95 h GLN 239 Cb 0.41 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 1n95 h GLN 239 CO 0.01 0.53 -0.20 -0.09 -2.65 0.00 0.00 178.83 176.43 1n95 h ARG 240 N 0.54 0.36 0.02 1.69 2.43 -0.71 0.44 114.38 119.14 1n95 h ARG 240 Ca 0.12 -0.11 -0.23 0.00 -0.81 0.00 0.00 59.98 58.94 1n95 h ARG 240 Cb 0.26 -0.03 0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1n95 h ARG 240 CO 0.00 0.56 -0.93 1.25 -1.51 0.00 0.00 179.97 179.34 1n95 h HIS 241 N 0.33 0.89 -0.14 2.20 2.76 -0.93 -1.62 115.15 118.63 1n95 h HIS 241 Ca 0.06 -0.50 0.03 0.00 -2.20 0.00 0.00 60.37 57.76 1n95 h HIS 241 Cb 0.55 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.39 1n95 h HIS 241 CO 0.01 1.33 -0.05 0.35 -1.30 0.00 0.00 177.93 178.28 1n95 h PHE 242 N 0.19 -0.12 0.72 5.26 3.57 -0.64 -0.23 116.94 125.69 1n95 h PHE 242 Ca -0.12 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.36 1n95 h PHE 242 Cb 1.61 0.07 0.01 0.00 2.79 0.00 0.00 35.95 40.43 1n95 h PHE 242 CO 0.12 -0.09 -0.35 0.28 -2.23 0.00 0.00 178.31 176.05 1n95 h VAL 243 N -0.03 0.15 -0.07 1.41 2.07 -0.95 -2.71 116.25 116.12 1n95 h VAL 243 Ca 0.07 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.39 1n95 h VAL 243 Cb 0.14 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 1n95 h VAL 243 CO -0.16 0.01 -0.03 0.40 0.02 0.00 0.00 177.57 177.81 1n95 h ILE 244 N -1.15 0.90 0.00 4.57 2.04 -1.28 -1.01 117.51 121.58 1n95 h ILE 244 Ca -0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1n95 h ILE 244 Cb 0.77 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1n95 h ILE 244 CO 0.16 0.00 0.00 0.77 0.00 0.00 0.00 178.15 179.08 1n95 h SER 245 N -0.02 0.00 -0.00 1.72 4.64 -1.12 0.33 113.55 119.10 1n95 h SER 245 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1n95 h SER 245 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1n95 h SER 245 CO -0.08 0.00 -0.68 0.59 -0.87 0.00 0.00 176.83 175.79 1n95 n ASN 246 N -2.34 0.84 -0.00 4.97 4.13 -0.78 -4.42 115.26 117.66 1n95 n ASN 246 Ca -0.01 -0.92 -0.00 0.00 1.68 0.00 0.00 54.58 55.33 1n95 n ASN 246 Cb 0.08 0.93 -0.00 0.00 -1.54 0.00 0.00 39.78 39.26 1n95 n ASN 246 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1n95 n THR 247 N -1.21 0.10 -0.09 3.41 -2.24 -0.45 -4.93 114.28 108.86 1n95 n THR 247 Ca 0.03 0.30 -0.11 0.00 -2.27 0.00 0.00 64.05 62.01 1n95 n THR 247 Cb 0.25 -1.36 -0.13 0.00 -2.10 0.00 0.00 70.33 66.99 1n95 n THR 247 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1n95 n THR 248 N -2.61 1.24 0.00 4.28 -2.24 -0.59 -5.09 114.28 109.27 1n95 n THR 248 Ca -0.01 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1n95 n THR 248 Cb 0.02 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.49 1n95 n THR 248 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n95 n GLY 249 N 2.06 -0.33 0.98 3.38 0.00 0.11 -4.67 105.19 106.72 1n95 n GLY 249 Ca -0.32 -1.75 0.09 0.00 0.00 0.00 0.00 46.02 44.03 1n95 n GLY 249 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1n95 n TYR 250 N -0.29 0.69 0.09 1.61 4.02 -1.26 -4.33 117.16 117.68 1n95 n TYR 250 Ca 0.00 -0.47 -0.07 0.00 -0.01 0.00 0.00 57.90 57.34 1n95 n TYR 250 Cb 0.00 -0.01 0.02 0.00 -0.02 0.00 0.00 39.34 39.32 1n95 n TYR 250 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1n95 h SER 251 N 3.17 0.23 -2.33 7.72 4.64 -1.98 -3.39 113.55 121.61 1n95 h SER 251 Ca 0.00 -0.17 -0.58 0.00 -0.47 0.00 0.00 61.79 60.57 1n95 h SER 251 Cb 0.85 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.87 1n95 h SER 251 CO 0.00 0.95 1.35 -0.62 -0.87 0.00 0.00 176.83 177.64 1n95 s ASP 252 N -6.91 5.83 0.32 4.97 -1.08 -1.26 -4.86 116.67 113.69 1n95 s ASP 252 Ca -0.03 1.81 0.09 0.00 -0.52 0.00 0.00 52.55 53.90 1n95 s ASP 252 Cb 0.11 -2.52 0.93 0.00 -1.46 0.00 0.00 42.92 39.98 1n95 s ASP 252 CO 0.82 -1.67 1.62 0.03 0.52 0.00 0.00 175.17 176.49 1n95 h ARG 253 N 13.28 0.16 -0.38 4.34 3.08 -1.97 0.40 114.38 133.29 1n95 h ARG 253 Ca -0.39 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 59.55 1n95 h ARG 253 Cb 1.21 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 1n95 h ARG 253 CO 0.98 0.10 -0.16 0.00 -1.07 0.00 0.00 179.97 179.82 1n95 h ALA 254 N 1.88 0.53 0.15 0.04 0.00 -1.96 0.03 119.26 119.93 1n95 h ALA 254 Ca 0.66 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1n95 h ALA 254 Cb 1.49 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1n95 h ALA 254 CO -0.72 0.46 -0.07 0.28 0.00 0.00 0.00 179.25 179.20 1n95 h VAL 255 N 0.59 0.99 -0.27 0.00 2.07 -1.09 0.57 116.25 119.11 1n95 h VAL 255 Ca 0.09 -0.68 0.06 0.00 0.82 0.00 0.00 66.70 67.00 1n95 h VAL 255 Cb 0.71 1.40 -0.07 0.00 -1.52 0.00 0.00 31.29 31.81 1n95 h VAL 255 CO 0.05 0.16 -0.26 0.25 0.02 0.00 0.00 177.57 177.79 1n95 h LEU 256 N -0.53 -0.83 -0.21 2.57 5.85 -0.32 0.03 115.31 121.87 1n95 h LEU 256 Ca -0.02 0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.89 1n95 h LEU 256 Cb 0.41 0.39 -0.04 0.00 0.37 0.00 0.00 40.66 41.79 1n95 h LEU 256 CO 0.03 -0.29 -0.02 -0.08 -0.34 0.00 0.00 178.44 177.74 1n95 h GLU 257 N -0.25 0.04 -0.72 1.25 4.57 -0.93 0.12 114.58 118.65 1n95 h GLU 257 Ca 0.14 -0.00 0.10 0.00 -1.18 0.00 0.00 59.36 58.42 1n95 h GLU 257 Cb 0.48 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.99 1n95 h GLU 257 CO -0.41 0.02 0.36 -0.09 -1.18 0.00 0.00 179.01 177.71 1n95 h ARG 258 N 0.04 0.59 0.52 1.92 2.43 -0.32 -0.21 114.38 119.35 1n95 h ARG 258 Ca 0.10 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1n95 h ARG 258 Cb 0.14 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1n95 h ARG 258 CO -0.19 0.39 -0.25 0.93 -1.51 0.00 0.00 179.97 179.34 1n95 h GLU 259 N 0.61 -0.68 -0.80 0.20 4.39 -0.33 -1.36 114.58 116.61 1n95 h GLU 259 Ca 0.36 0.05 0.07 0.00 0.34 0.00 0.00 59.36 60.18 1n95 h GLU 259 Cb 0.38 0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 29.13 1n95 h GLU 259 CO -0.27 -0.37 0.52 0.28 -1.16 0.00 0.00 179.01 178.01 1n95 h VAL 260 N -0.93 1.02 0.51 3.13 2.07 -0.83 0.12 116.25 121.33 1n95 h VAL 260 Ca -0.07 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1n95 h VAL 260 Cb 0.61 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1n95 h VAL 260 CO 0.12 0.15 -0.24 -0.61 0.02 0.00 0.00 177.57 177.01 1n95 h GLN 261 N 0.84 -0.66 -0.84 1.57 5.75 -0.99 0.38 115.11 121.16 1n95 h GLN 261 Ca 0.35 0.04 0.09 0.00 -0.15 0.00 0.00 58.65 58.98 1n95 h GLN 261 Cb 0.29 0.15 -0.07 0.00 1.07 0.00 0.00 27.48 28.92 1n95 h GLN 261 CO -0.13 -0.38 0.50 -0.92 -2.65 0.00 0.00 178.83 175.25 1n95 h TYR 262 N -0.81 0.91 -0.11 3.99 3.20 -0.78 -0.10 116.97 123.27 1n95 h TYR 262 Ca -0.07 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.63 1n95 h TYR 262 Cb 0.58 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.57 1n95 h TYR 262 CO -0.01 0.40 -0.74 1.15 -1.64 0.00 0.00 178.16 177.32 1n95 h THR 263 N 0.86 1.35 0.00 1.81 2.02 -0.65 -1.66 112.91 116.64 1n95 h THR 263 Ca 0.40 -2.07 -0.06 0.00 0.77 0.00 0.00 66.41 65.45 1n95 h THR 263 Cb 0.31 2.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 1n95 h THR 263 CO -0.22 0.63 -0.27 -0.07 0.37 0.00 0.00 175.52 175.96 1n95 h LEU 264 N 0.36 0.00 0.65 2.58 3.38 0.40 -1.76 115.31 120.92 1n95 h LEU 264 Ca -0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1n95 h LEU 264 Cb 1.33 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.08 1n95 h LEU 264 CO 0.13 0.27 -0.31 -0.33 0.09 0.00 0.00 178.44 178.29 1n95 h GLU 265 N 0.00 -0.84 -0.13 1.13 3.07 -0.59 0.11 114.58 117.33 1n95 h GLU 265 Ca -0.00 0.06 0.04 0.00 -0.50 0.00 0.00 59.36 58.95 1n95 h GLU 265 Cb 0.53 0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.62 1n95 h GLU 265 CO 0.03 -0.52 0.21 0.52 -1.40 0.00 0.00 179.01 177.85 1n95 h MET 266 N -1.13 0.00 0.02 2.33 2.86 -1.08 -0.64 114.93 117.29 1n95 h MET 266 Ca -0.09 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.49 1n95 h MET 266 Cb 0.70 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.36 1n95 h MET 266 CO 0.15 0.00 -0.32 0.82 1.06 0.00 0.00 176.91 178.62 1n95 h ILE 267 N 0.00 1.61 -0.20 -1.22 2.04 -1.15 -2.05 117.51 116.54 1n95 h ILE 267 Ca 0.06 -2.34 -0.37 0.00 1.00 0.00 0.00 64.86 63.21 1n95 h ILE 267 Cb 0.47 3.17 -0.06 0.00 -0.74 0.00 0.00 36.82 39.66 1n95 h ILE 267 CO -0.00 0.57 0.83 0.29 0.00 0.00 0.00 178.15 179.84 1n95 n LYS 268 N -4.52 2.58 0.00 2.37 5.02 0.37 -0.81 118.16 123.17 1n95 n LYS 268 Ca -0.14 -1.58 0.00 0.00 -2.02 0.00 0.00 58.31 54.57 1n95 n LYS 268 Cb 0.56 -2.23 0.00 0.00 -0.02 0.00 0.00 35.03 33.33 1n95 n LYS 268 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1n95 n LEU 269 N 2.49 0.00 -3.17 -0.35 0.00 -1.02 -4.88 117.00 110.07 1n95 n LEU 269 Ca 0.53 0.00 -0.20 0.00 0.00 0.00 0.00 56.01 56.34 1n95 n LEU 269 Cb 0.68 0.21 -0.04 0.00 0.00 0.00 0.00 43.42 44.27 1n95 n LEU 269 CO 0.34 -0.22 -0.20 0.52 0.00 0.00 0.00 177.39 177.84 1n95 n VAL 270 N -1.93 0.10 -0.16 1.96 0.31 -0.77 -5.00 118.33 112.83 1n95 n VAL 270 Ca 0.00 -4.59 0.27 0.00 -0.01 0.00 0.00 64.34 60.01 1n95 n VAL 270 Cb 0.00 -0.74 0.47 0.00 -0.91 0.00 0.00 33.84 32.66 1n95 n VAL 270 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1n95 h PRO 271 N 3.22 0.00 -0.49 5.55 0.13 -1.18 0.28 132.00 139.51 1n95 h PRO 271 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1n95 h PRO 271 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1n95 h PRO 271 CO 0.53 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.02 1n95 n HIS 272 N -3.29 0.65 -2.72 1.56 8.25 -1.26 -4.73 115.22 113.67 1n95 n HIS 272 Ca 0.21 -0.32 -0.43 0.00 -0.26 0.00 0.00 57.72 56.92 1n95 n HIS 272 Cb 1.40 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 32.48 1n95 n HIS 272 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1n95 s ASN 273 N -1.33 6.64 0.28 0.41 2.47 0.98 -4.94 114.94 119.46 1n95 s ASN 273 Ca 0.42 0.46 0.02 0.00 0.42 0.00 0.00 52.86 54.18 1n95 s ASN 273 Cb 0.23 -2.50 0.42 0.00 -1.45 0.00 0.00 41.25 37.95 1n95 s ASN 273 CO 0.32 -1.05 1.73 -0.08 -3.72 0.00 0.00 177.10 174.31 1n95 h GLU 274 N 8.86 0.52 -0.29 0.43 4.81 -1.88 -3.31 114.58 123.71 1n95 h GLU 274 Ca -0.23 -0.18 0.05 0.00 -0.13 0.00 0.00 59.36 58.87 1n95 h GLU 274 Cb 1.07 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.36 1n95 h GLU 274 CO 1.05 0.70 -0.02 0.77 -0.73 0.00 0.00 179.01 180.78 1n95 h SER 275 N 0.46 -0.16 -0.69 1.04 0.02 -1.91 -0.77 113.55 111.55 1n95 h SER 275 Ca 0.07 0.07 0.07 0.00 -0.84 0.00 0.00 61.79 61.17 1n95 h SER 275 Cb 0.62 0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.25 1n95 h SER 275 CO 0.04 -0.04 0.45 0.00 -1.14 0.00 0.00 176.83 176.14 1n95 h ALA 276 N 1.26 1.79 -0.19 3.77 0.00 -1.86 0.10 119.26 124.13 1n95 h ALA 276 Ca 0.14 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1n95 h ALA 276 Cb 0.19 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1n95 h ALA 276 CO -0.25 0.09 -0.12 -1.49 0.00 0.00 0.00 179.25 177.48 1n95 h TRP 277 N 0.66 0.49 0.00 0.00 4.06 -1.43 -1.09 115.95 118.63 1n95 h TRP 277 Ca 0.30 -0.13 -0.03 0.00 2.06 0.00 0.00 58.89 61.10 1n95 h TRP 277 Cb 0.34 -0.11 -0.00 0.00 -1.00 0.00 0.00 29.16 28.38 1n95 h TRP 277 CO -0.00 0.74 -0.13 -0.91 -3.56 0.00 0.00 178.44 174.58 1n95 h ASN 278 N 0.09 0.00 0.08 -3.49 2.35 -0.57 -1.38 115.58 112.66 1n95 h ASN 278 Ca 0.04 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1n95 h ASN 278 Cb 0.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.00 1n95 h ASN 278 CO 0.03 0.13 -0.04 0.22 -1.65 0.00 0.00 177.43 176.12 1n95 h TYR 279 N 0.00 -0.10 -1.00 1.19 3.20 -0.70 -1.46 116.97 118.11 1n95 h TYR 279 Ca -0.00 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.00 1n95 h TYR 279 Cb 0.60 0.03 -0.09 0.00 1.54 0.00 0.00 36.73 38.81 1n95 h TYR 279 CO 0.00 0.33 0.62 1.25 -1.64 0.00 0.00 178.16 178.72 1n95 h LEU 280 N -0.96 0.88 -0.31 2.82 5.85 -1.15 0.17 115.31 122.61 1n95 h LEU 280 Ca -0.01 0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.66 1n95 h LEU 280 Cb 0.47 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1n95 h LEU 280 CO 0.02 0.44 -0.25 0.50 -0.34 0.00 0.00 178.44 178.81 1n95 h LYS 281 N 0.93 0.72 -0.71 1.25 3.64 -1.35 -2.92 116.57 118.13 1n95 h LYS 281 Ca 0.51 -0.35 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1n95 h LYS 281 Cb 0.58 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.37 1n95 h LYS 281 CO -0.29 0.97 0.43 0.78 -2.27 0.00 0.00 179.45 179.06 1n95 h GLY 282 N 0.48 1.02 2.00 5.01 0.00 0.15 0.30 103.07 112.03 1n95 h GLY 282 Ca 0.06 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 1n95 h GLY 282 CO 0.06 0.41 -0.13 0.16 0.00 0.00 0.00 176.54 177.04 1n95 h ILE 283 N 0.96 0.26 0.00 2.60 3.07 -0.80 -3.36 117.51 120.24 1n95 h ILE 283 Ca 0.25 -1.12 -0.38 0.00 1.55 0.00 0.00 64.86 65.16 1n95 h ILE 283 Cb -0.04 1.92 -0.07 0.00 -0.27 0.00 0.00 36.82 38.36 1n95 h ILE 283 CO -0.05 0.13 -2.41 0.18 -1.05 0.00 0.00 178.15 174.95 1n95 n LEU 284 N -3.18 2.79 0.03 0.16 4.77 -1.11 -4.40 117.00 116.07 1n95 n LEU 284 Ca 0.02 -0.05 0.01 0.00 -0.03 0.00 0.00 56.01 55.96 1n95 n LEU 284 Cb 0.49 -0.84 0.08 0.00 -2.33 0.00 0.00 43.42 40.82 1n95 n LEU 284 CO 0.33 0.85 0.56 0.00 -1.33 0.00 0.00 177.39 177.81 1n95 n GLN 285 N -3.38 0.02 -2.85 3.23 10.64 0.10 -2.17 117.38 122.97 1n95 n GLN 285 Ca -0.45 0.39 -0.39 0.00 -1.83 0.00 0.00 57.00 54.71 1n95 n GLN 285 Cb 0.95 -1.74 0.00 0.00 -0.86 0.00 0.00 30.24 28.58 1n95 n GLN 285 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1n95 n ASP 286 N -1.49 6.51 0.00 2.61 2.03 -1.26 -3.82 116.55 121.13 1n95 n ASP 286 Ca -0.00 -3.58 0.00 0.00 0.52 0.00 0.00 54.79 51.73 1n95 n ASP 286 Cb 0.18 -1.11 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 1n95 n ASP 286 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1n95 n ARG 287 N 0.46 0.00 0.00 -0.67 0.00 -0.92 -5.08 116.66 110.45 1n95 n ARG 287 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.22 1n95 n ARG 287 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.77 1n95 n ARG 287 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1n95 n GLY 288 N 0.00 1.35 0.24 5.14 0.00 -1.09 -4.70 105.19 106.11 1n95 n GLY 288 Ca 0.00 -1.09 0.02 0.00 0.00 0.00 0.00 46.02 44.95 1n95 n GLY 288 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n95 h LEU 289 N 0.00 0.24 0.00 0.99 4.07 -1.86 -2.10 115.31 116.65 1n95 h LEU 289 Ca 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.91 1n95 h LEU 289 Cb 0.00 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.68 1n95 h LEU 289 CO 0.00 0.42 0.00 -1.54 -1.08 0.00 0.00 178.44 176.24 1n95 n SER 290 N -4.25 0.00 -0.62 -0.43 3.41 -1.26 -1.83 113.62 108.64 1n95 n SER 290 Ca -0.01 -0.18 0.09 0.00 -0.26 0.00 0.00 58.87 58.51 1n95 n SER 290 Cb 0.29 -0.20 0.30 0.00 -0.26 0.00 0.00 64.21 64.34 1n95 n SER 290 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1n95 n ARG 291 N -1.20 1.81 -3.82 4.33 1.74 -0.79 -4.42 116.66 114.31 1n95 n ARG 291 Ca 0.11 -1.23 -0.29 0.00 -0.77 0.00 0.00 57.85 55.67 1n95 n ARG 291 Cb 0.13 -1.37 -0.13 0.00 -1.02 0.00 0.00 32.46 30.07 1n95 n ARG 291 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1n95 s TYR 292 N -1.69 2.71 0.12 -1.55 1.51 -0.76 -5.00 117.35 112.69 1n95 s TYR 292 Ca 0.30 -2.90 -0.21 0.00 -1.01 0.00 0.00 57.07 53.26 1n95 s TYR 292 Cb 0.16 -2.34 -0.05 0.00 -0.11 0.00 0.00 41.96 39.62 1n95 s TYR 292 CO 0.24 -0.72 1.70 -1.00 -1.11 0.00 0.00 175.55 174.66 1n95 h PRO 293 N 6.28 -0.06 -0.48 -1.71 0.13 -1.82 -2.34 132.00 131.99 1n95 h PRO 293 Ca 0.02 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.25 1n95 h PRO 293 Cb 0.87 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.99 1n95 h PRO 293 CO 0.60 -0.04 0.33 -0.91 -0.23 0.00 0.00 178.00 177.75 1n95 h ASN 294 N -0.07 0.20 0.00 1.44 4.21 -1.95 -3.23 115.58 116.18 1n95 h ASN 294 Ca 0.08 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.59 1n95 h ASN 294 Cb 0.18 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.34 1n95 h ASN 294 CO -0.17 0.12 0.00 -0.11 -1.29 0.00 0.00 177.43 175.98 1n95 n LEU 295 N -4.45 0.00 -0.36 1.61 7.94 -0.88 -1.61 117.00 119.25 1n95 n LEU 295 Ca 0.08 0.92 0.32 0.00 -1.11 0.00 0.00 56.01 56.22 1n95 n LEU 295 Cb 0.40 -0.42 0.59 0.00 0.53 0.00 0.00 43.42 44.52 1n95 n LEU 295 CO 0.35 -0.42 1.11 0.25 -1.11 0.00 0.00 177.39 177.58 1n95 h LEU 296 N 0.00 0.33 0.08 -1.96 5.85 -1.72 -1.86 115.31 116.04 1n95 h LEU 296 Ca 0.00 0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1n95 h LEU 296 Cb 0.00 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1n95 h LEU 296 CO 0.00 -0.34 -0.04 0.78 -0.34 0.00 0.00 178.44 178.50 1n95 h ASN 297 N 0.06 -0.10 -0.93 1.25 2.35 -1.45 -0.62 115.58 116.14 1n95 h ASN 297 Ca 0.83 0.00 0.27 0.00 -0.55 0.00 0.00 56.30 56.86 1n95 h ASN 297 Cb 2.28 0.02 -0.15 0.00 0.05 0.00 0.00 38.32 40.52 1n95 h ASN 297 CO -0.66 -0.05 0.34 1.56 -1.65 0.00 0.00 177.43 176.96 1n95 h GLN 298 N -0.15 0.21 -0.44 0.81 1.08 -0.87 0.87 115.11 116.62 1n95 h GLN 298 Ca -0.01 -0.01 -0.11 0.00 -1.45 0.00 0.00 58.65 57.07 1n95 h GLN 298 Cb 0.09 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 1n95 h GLN 298 CO 0.02 0.14 -0.17 -0.07 -0.95 0.00 0.00 178.83 177.80 1n95 h LEU 299 N 0.22 0.85 -1.56 1.46 3.38 -1.40 -2.13 115.31 116.13 1n95 h LEU 299 Ca 0.63 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 58.26 1n95 h LEU 299 Cb 1.36 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1n95 h LEU 299 CO -0.67 1.01 -0.23 0.25 0.09 0.00 0.00 178.44 178.89 1n95 h LEU 300 N 0.75 0.00 -0.86 1.67 5.85 0.23 -1.88 115.31 121.06 1n95 h LEU 300 Ca 0.11 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.72 1n95 h LEU 300 Cb 0.69 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1n95 h LEU 300 CO 0.05 0.23 -0.34 0.44 -0.34 0.00 0.00 178.44 178.48 1n95 h ASP 301 N 0.00 0.44 0.23 1.25 3.32 -0.07 -2.72 116.42 118.88 1n95 h ASP 301 Ca -0.00 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1n95 h ASP 301 Cb 0.50 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1n95 h ASP 301 CO 0.03 0.76 0.00 0.18 -1.72 0.00 0.00 179.24 178.49 1n95 n LEU 302 N -4.07 0.00 -0.25 1.55 4.77 -0.71 -4.21 117.00 114.09 1n95 n LEU 302 Ca -0.01 0.15 0.05 0.00 -0.03 0.00 0.00 56.01 56.16 1n95 n LEU 302 Cb 0.46 -0.15 0.16 0.00 -2.33 0.00 0.00 43.42 41.56 1n95 n LEU 302 CO 0.43 -0.03 0.85 1.56 -1.33 0.00 0.00 177.39 178.87 1n95 h GLN 303 N 0.00 0.14 0.00 3.23 1.08 -1.49 0.36 115.11 118.43 1n95 h GLN 303 Ca 0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1n95 h GLN 303 Cb 0.11 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 1n95 h GLN 303 CO 0.00 0.09 -1.64 -0.35 -0.95 0.00 0.00 178.83 175.98 1n95 n PRO 304 N -5.29 0.64 0.02 1.46 -0.04 -1.26 -4.10 135.00 126.43 1n95 n PRO 304 Ca 0.13 -0.13 0.05 0.00 -0.04 0.00 0.00 63.50 63.50 1n95 n PRO 304 Cb 0.46 -1.44 -0.10 0.00 -0.04 0.00 0.00 33.50 32.37 1n95 n PRO 304 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1n95 n SER 305 N -2.00 0.46 -2.73 3.54 7.64 -1.05 -4.67 113.62 114.81 1n95 n SER 305 Ca -0.02 0.19 -0.03 0.00 1.01 0.00 0.00 58.87 60.02 1n95 n SER 305 Cb 0.45 0.93 0.09 0.00 -1.01 0.00 0.00 64.21 64.67 1n95 n SER 305 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1n95 n HIS 306 N -2.62 -0.55 -3.01 1.43 8.25 0.12 -5.07 115.22 113.77 1n95 n HIS 306 Ca -0.09 -2.03 -0.39 0.00 -0.26 0.00 0.00 57.72 54.95 1n95 n HIS 306 Cb 0.74 0.70 -0.06 0.00 1.12 0.00 0.00 29.99 32.49 1n95 n HIS 306 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1n95 s SER 307 N -2.33 7.33 0.23 0.41 0.15 -0.99 -4.83 113.70 113.67 1n95 s SER 307 Ca 0.19 1.60 -0.17 0.00 0.70 0.00 0.00 55.95 58.28 1n95 s SER 307 Cb 0.40 -2.48 0.02 0.00 -1.71 0.00 0.00 66.02 62.24 1n95 s SER 307 CO -0.07 0.19 0.56 -0.94 1.20 0.00 0.00 173.24 174.17 1n95 s SER 308 N -1.22 -0.22 0.00 5.45 1.04 -1.26 -4.93 113.70 112.55 1n95 s SER 308 Ca 0.37 -0.61 0.08 0.00 0.48 0.00 0.00 55.95 56.26 1n95 s SER 308 Cb -0.22 0.62 0.46 0.00 0.10 0.00 0.00 66.02 66.98 1n95 s SER 308 CO 0.25 -1.14 0.89 -0.81 0.98 0.00 0.00 173.24 173.41 1n95 n PRO 309 N -0.38 0.28 0.06 4.02 -0.04 -1.26 -1.43 135.00 136.25 1n95 n PRO 309 Ca -0.07 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.24 1n95 n PRO 309 Cb 0.62 -1.44 -0.14 0.00 -0.04 0.00 0.00 33.50 32.50 1n95 n PRO 309 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1n95 h TYR 310 N 0.00 0.38 -0.04 0.54 -1.99 -1.94 -1.43 116.97 112.49 1n95 h TYR 310 Ca 0.00 -0.28 -0.01 0.00 2.00 0.00 0.00 58.73 60.45 1n95 h TYR 310 Cb 0.00 -0.02 -0.00 0.00 2.00 0.00 0.00 36.73 38.71 1n95 h TYR 310 CO 0.00 1.31 -0.00 1.25 -0.00 0.00 0.00 178.16 180.71 1n95 h LEU 311 N 0.06 0.07 -0.76 3.88 5.85 -1.59 0.65 115.31 123.46 1n95 h LEU 311 Ca -0.21 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 58.18 1n95 h LEU 311 Cb 1.99 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.96 1n95 h LEU 311 CO 0.16 0.39 0.50 0.40 -0.34 0.00 0.00 178.44 179.55 1n95 h ILE 312 N -0.26 1.16 -0.10 4.05 2.04 -1.64 -0.32 117.51 122.44 1n95 h ILE 312 Ca 0.01 -0.34 -0.13 0.00 1.00 0.00 0.00 64.86 65.40 1n95 h ILE 312 Cb 0.36 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1n95 h ILE 312 CO 0.00 0.18 -0.50 0.00 0.00 0.00 0.00 178.15 177.84 1n95 h ALA 313 N 1.30 0.97 -0.26 1.87 0.00 -1.15 -0.58 119.26 121.41 1n95 h ALA 313 Ca 0.29 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 1n95 h ALA 313 Cb -0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1n95 h ALA 313 CO -0.08 0.66 -0.26 0.35 0.00 0.00 0.00 179.25 179.92 1n95 h PHE 314 N 0.21 0.75 -0.57 0.00 3.57 -0.33 -2.06 116.94 118.52 1n95 h PHE 314 Ca 0.01 -0.23 -0.00 0.00 3.53 0.00 0.00 57.97 61.28 1n95 h PHE 314 Cb 0.95 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.51 1n95 h PHE 314 CO 0.02 0.94 0.35 -0.07 -2.23 0.00 0.00 178.31 177.32 1n95 h LEU 315 N 0.35 0.68 -2.31 0.59 3.38 -0.95 0.18 115.31 117.22 1n95 h LEU 315 Ca 0.04 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1n95 h LEU 315 Cb 0.82 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1n95 h LEU 315 CO 0.06 0.53 0.06 0.58 0.09 0.00 0.00 178.44 179.76 1n95 h VAL 316 N 0.77 0.61 0.11 1.22 2.07 -0.95 0.15 116.25 120.22 1n95 h VAL 316 Ca 0.21 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.46 1n95 h VAL 316 Cb -0.03 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1n95 h VAL 316 CO -0.04 0.00 -1.22 0.44 0.02 0.00 0.00 177.57 176.77 1n95 h ASP 317 N 0.00 0.38 0.56 0.57 3.32 -0.03 -2.66 116.42 118.55 1n95 h ASP 317 Ca 0.03 -0.41 -0.03 0.00 0.02 0.00 0.00 57.03 56.64 1n95 h ASP 317 Cb 0.14 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.58 1n95 h ASP 317 CO -0.00 1.32 -0.27 0.40 -1.72 0.00 0.00 179.24 178.97 1n95 h ILE 318 N 0.07 0.10 -0.95 0.35 2.04 0.22 -2.96 117.51 116.37 1n95 h ILE 318 Ca -0.12 -0.45 0.29 0.00 1.00 0.00 0.00 64.86 65.58 1n95 h ILE 318 Cb 1.95 0.15 -0.16 0.00 -0.74 0.00 0.00 36.82 38.02 1n95 h ILE 318 CO 0.20 0.02 0.28 1.88 0.00 0.00 0.00 178.15 180.52 1n95 h TYR 319 N -1.16 0.41 -0.77 1.37 0.99 -1.13 0.57 116.97 117.25 1n95 h TYR 319 Ca -0.08 0.05 0.10 0.00 2.00 0.00 0.00 58.73 60.80 1n95 h TYR 319 Cb 0.60 -0.02 -0.07 0.00 1.00 0.00 0.00 36.73 38.24 1n95 h TYR 319 CO 0.00 -0.31 0.41 0.93 -0.00 0.00 0.00 178.16 179.19 1n95 h GLU 320 N 0.13 0.67 0.00 4.88 5.08 -1.40 -1.71 114.58 122.23 1n95 h GLU 320 Ca 0.64 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.89 1n95 h GLU 320 Cb 1.42 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1n95 h GLU 320 CO -0.74 0.44 -0.32 0.22 -1.00 0.00 0.00 179.01 177.61 1n95 h ASP 321 N 0.69 0.00 0.68 1.42 3.58 0.23 -0.75 116.42 122.28 1n95 h ASP 321 Ca 0.38 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.83 1n95 h ASP 321 Cb 0.39 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.44 1n95 h ASP 321 CO -0.26 0.32 -0.04 0.23 -2.88 0.00 0.00 179.24 176.61 1n95 n MET 322 N -3.22 0.30 -0.13 0.28 2.81 -0.38 -2.30 117.12 114.47 1n95 n MET 322 Ca 0.02 -0.03 -0.23 0.00 -1.81 0.00 0.00 57.70 55.65 1n95 n MET 322 Cb 0.63 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 31.53 1n95 n MET 322 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1n95 n LEU 323 N -1.33 2.54 -0.35 4.03 4.32 -0.71 -2.85 117.00 122.65 1n95 n LEU 323 Ca 0.11 0.08 0.06 0.00 -0.02 0.00 0.00 56.01 56.24 1n95 n LEU 323 Cb 0.28 -0.89 0.22 0.00 -1.62 0.00 0.00 43.42 41.42 1n95 n LEU 323 CO 0.25 0.78 1.22 -0.33 -1.22 0.00 0.00 177.39 178.09 1n95 h GLU 324 N -0.41 0.94 -0.03 3.23 5.08 -1.13 -0.38 114.58 121.88 1n95 h GLU 324 Ca -0.62 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.69 1n95 h GLU 324 Cb 1.78 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.82 1n95 h GLU 324 CO -0.22 0.62 0.00 0.09 -1.00 0.00 0.00 179.01 178.50 1n95 n ASN 325 N -4.64 1.28 -1.95 1.42 5.03 -0.97 -5.04 115.26 110.38 1n95 n ASN 325 Ca 0.18 -1.45 0.00 0.00 0.87 0.00 0.00 54.58 54.18 1n95 n ASN 325 Cb 0.33 -0.01 0.00 0.00 -1.02 0.00 0.00 39.78 39.08 1n95 n ASN 325 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1n95 n GLN 326 N 0.01 -5.29 -3.83 3.52 3.00 -0.15 -5.04 117.38 109.58 1n95 n GLN 326 Ca 0.19 3.78 -0.12 0.00 -0.01 0.00 0.00 57.00 60.84 1n95 n GLN 326 Cb 0.31 -4.06 -0.10 0.00 0.00 0.00 0.00 30.24 26.39 1n95 n GLN 326 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1n95 n ASP 328 N 1.85 2.00 0.00 0.00 -0.08 -1.26 -0.90 116.55 118.16 1n95 n ASP 328 Ca -0.20 0.82 0.00 0.00 -1.51 0.00 0.00 54.79 53.90 1n95 n ASP 328 Cb 0.56 -1.55 0.00 0.00 2.34 0.00 0.00 41.12 42.47 1n95 n ASP 328 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1n95 n ASN 329 N -1.93 -2.18 -0.37 1.67 3.02 -1.26 -4.87 115.26 109.34 1n95 n ASN 329 Ca 0.16 0.00 0.33 0.00 -0.03 0.00 0.00 54.58 55.03 1n95 n ASN 329 Cb 0.48 -0.95 0.66 0.00 -0.61 0.00 0.00 39.78 39.36 1n95 n ASN 329 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1n95 h LYS 330 N 1.40 0.15 -0.35 3.52 2.10 -1.41 0.25 116.57 122.22 1n95 h LYS 330 Ca 0.00 -0.01 -0.04 0.00 -2.00 0.00 0.00 60.65 58.60 1n95 h LYS 330 Cb 0.14 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.42 1n95 h LYS 330 CO 0.00 0.10 0.07 1.49 -2.00 0.00 0.00 179.45 179.11 1n95 h GLU 331 N 0.15 0.57 -0.35 0.07 4.57 -1.89 0.11 114.58 117.81 1n95 h GLU 331 Ca 0.64 -0.14 -0.10 0.00 -1.18 0.00 0.00 59.36 58.58 1n95 h GLU 331 Cb 2.17 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 30.68 1n95 h GLU 331 CO -0.18 0.63 -0.16 0.22 -1.18 0.00 0.00 179.01 178.34 1n95 h ASP 332 N 0.41 0.75 -0.39 1.04 -0.00 -1.00 -2.31 116.42 114.92 1n95 h ASP 332 Ca 0.11 -0.40 0.08 0.00 -0.00 0.00 0.00 57.03 56.81 1n95 h ASP 332 Cb 0.33 -0.21 -0.08 0.00 -0.00 0.00 0.00 39.33 39.38 1n95 h ASP 332 CO 0.00 0.98 -0.10 0.40 -0.00 0.00 0.00 179.24 180.53 1n95 h ILE 333 N 0.51 0.60 -0.27 2.25 2.04 -0.73 0.37 117.51 122.27 1n95 h ILE 333 Ca 0.08 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.94 1n95 h ILE 333 Cb 0.70 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1n95 h ILE 333 CO 0.05 0.00 0.17 0.25 0.00 0.00 0.00 178.15 178.62 1n95 h LEU 334 N -0.01 0.32 -0.06 1.44 5.85 -0.65 -0.01 115.31 122.19 1n95 h LEU 334 Ca 0.19 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 1n95 h LEU 334 Cb 0.29 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1n95 h LEU 334 CO -0.41 0.25 -0.11 0.78 -0.34 0.00 0.00 178.44 178.60 1n95 h ASN 335 N 0.37 0.20 -0.33 1.25 2.35 -0.19 -1.66 115.58 117.57 1n95 h ASN 335 Ca 0.10 -0.56 0.03 0.00 -0.55 0.00 0.00 56.30 55.32 1n95 h ASN 335 Cb -0.02 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 1n95 h ASN 335 CO -0.02 0.73 0.14 0.50 -1.65 0.00 0.00 177.43 177.13 1n95 h LYS 336 N -0.32 0.29 -0.76 0.81 1.63 -0.10 -1.61 116.57 116.51 1n95 h LYS 336 Ca 0.00 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.76 1n95 h LYS 336 Cb 0.69 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 32.22 1n95 h LYS 336 CO 0.03 0.19 0.37 0.00 -3.45 0.00 0.00 179.45 176.59 1n95 h ALA 337 N 1.19 1.23 0.00 5.00 0.00 -1.02 -1.59 119.26 124.07 1n95 h ALA 337 Ca 0.15 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1n95 h ALA 337 Cb 0.09 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1n95 h ALA 337 CO -0.13 0.60 -0.53 -0.07 0.00 0.00 0.00 179.25 179.12 1n95 h LEU 338 N 1.07 0.00 -0.20 0.00 3.38 -0.98 -1.48 115.31 117.10 1n95 h LEU 338 Ca 0.26 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.06 1n95 h LEU 338 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1n95 h LEU 338 CO -0.03 0.53 -0.54 -0.08 0.09 0.00 0.00 178.44 178.41 1n95 h GLU 339 N 0.00 0.71 -0.66 1.13 4.81 -1.02 -1.80 114.58 117.75 1n95 h GLU 339 Ca -0.01 -0.50 -0.05 0.00 -0.13 0.00 0.00 59.36 58.67 1n95 h GLU 339 Cb 1.16 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.59 1n95 h GLU 339 CO 0.07 1.12 0.19 -0.07 -0.73 0.00 0.00 179.01 179.60 1n95 h LEU 340 N 0.42 0.95 -1.43 1.64 3.38 -1.18 0.16 115.31 119.25 1n95 h LEU 340 Ca -0.01 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1n95 h LEU 340 Cb 1.16 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1n95 h LEU 340 CO 0.12 0.89 -0.11 0.00 0.09 0.00 0.00 178.44 179.43 1n95 h GLU 342 N 0.23 0.20 0.02 0.00 4.39 -0.51 -0.99 114.58 117.92 1n95 h GLU 342 Ca 0.05 -0.34 -0.00 0.00 0.34 0.00 0.00 59.36 59.40 1n95 h GLU 342 Cb 0.34 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1n95 h GLU 342 CO 0.02 1.16 -0.01 0.82 -1.16 0.00 0.00 179.01 179.84 1n95 h ILE 343 N 0.06 1.20 -0.27 3.13 2.04 -0.65 0.65 117.51 123.66 1n95 h ILE 343 Ca -0.10 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.05 1n95 h ILE 343 Cb 1.92 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 39.67 1n95 h ILE 343 CO 0.18 0.18 0.18 -0.07 0.00 0.00 0.00 178.15 178.62 1n95 h LEU 344 N -0.34 0.32 -0.72 1.44 3.38 -1.24 1.46 115.31 119.60 1n95 h LEU 344 Ca -0.00 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1n95 h LEU 344 Cb 0.32 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1n95 h LEU 344 CO 0.01 0.25 -0.01 0.00 0.09 0.00 0.00 178.44 178.77 1n95 h ALA 345 N 1.09 0.93 0.03 1.53 0.00 -1.07 0.57 119.26 122.33 1n95 h ALA 345 Ca 0.10 -0.30 -0.37 0.00 0.00 0.00 0.00 54.91 54.33 1n95 h ALA 345 Cb -0.02 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.50 1n95 h ALA 345 CO -0.02 0.64 -2.31 1.63 0.00 0.00 0.00 179.25 179.19 1n95 n LYS 346 N -4.18 0.68 0.05 0.00 5.02 0.23 -4.36 118.16 115.59 1n95 n LYS 346 Ca 0.03 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 1n95 n LYS 346 Cb 0.34 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 1n95 n LYS 346 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1n95 n GLU 347 N -3.21 0.00 0.22 1.97 2.13 0.22 -4.84 120.64 117.14 1n95 n GLU 347 Ca -0.39 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.48 1n95 n GLU 347 Cb 1.04 -0.45 0.50 0.00 0.27 0.00 0.00 31.44 32.80 1n95 n GLU 347 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1n95 h LYS 348 N 0.00 0.01 0.00 5.31 1.63 0.15 -3.39 116.57 120.28 1n95 h LYS 348 Ca 0.00 -0.00 -0.21 0.00 -0.85 0.00 0.00 60.65 59.58 1n95 h LYS 348 Cb 0.00 -0.00 -0.14 0.00 -0.60 0.00 0.00 32.23 31.49 1n95 h LYS 348 CO 0.00 0.18 -0.40 -3.47 -3.45 0.00 0.00 179.45 172.32 1n95 n ASP 349 N -4.33 -2.40 0.00 4.20 2.03 0.20 -4.72 116.55 111.53 1n95 n ASP 349 Ca -0.02 -3.34 0.06 0.00 0.52 0.00 0.00 54.79 52.00 1n95 n ASP 349 Cb 0.24 1.79 0.25 0.00 -0.72 0.00 0.00 41.12 42.68 1n95 n ASP 349 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1n95 n THR 350 N 0.86 1.18 0.04 5.18 -2.24 -1.07 -3.13 114.28 115.09 1n95 n THR 350 Ca 0.06 0.29 0.01 0.00 -2.27 0.00 0.00 64.05 62.15 1n95 n THR 350 Cb 0.68 -1.09 0.35 0.00 -2.10 0.00 0.00 70.33 68.18 1n95 n THR 350 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1n95 h ILE 351 N 0.00 1.17 -2.36 2.28 6.09 -1.90 -2.79 117.51 120.00 1n95 h ILE 351 Ca 0.00 -0.66 -0.66 0.00 -1.37 0.00 0.00 64.86 62.17 1n95 h ILE 351 Cb 0.21 0.95 -0.38 0.00 0.47 0.00 0.00 36.82 38.07 1n95 h ILE 351 CO 0.00 0.23 -0.18 -2.11 -3.07 0.00 0.00 178.15 173.02 1n95 n ARG 352 N -4.32 3.35 0.11 2.19 1.85 -1.18 -4.73 116.66 113.93 1n95 n ARG 352 Ca 0.01 -4.70 0.03 0.00 -1.00 0.00 0.00 57.85 52.19 1n95 n ARG 352 Cb 0.22 -2.32 -0.01 0.00 -1.05 0.00 0.00 32.46 29.30 1n95 n ARG 352 CO 0.00 0.00 0.00 1.57 -0.01 0.00 0.00 177.63 179.19 1n95 h LYS 353 N 4.16 0.00 -0.22 2.89 2.10 -1.67 -2.64 116.57 121.18 1n95 h LYS 353 Ca 0.22 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.70 1n95 h LYS 353 Cb 0.58 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.91 1n95 h LYS 353 CO 0.97 0.38 -0.54 0.93 -2.00 0.00 0.00 179.45 179.19 1n95 h GLU 354 N 0.00 0.66 0.00 0.07 4.39 -1.86 -2.42 114.58 115.42 1n95 h GLU 354 Ca -0.05 -0.41 -0.01 0.00 0.34 0.00 0.00 59.36 59.22 1n95 h GLU 354 Cb 1.41 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.11 1n95 h GLU 354 CO 0.05 1.03 -0.06 -0.92 -1.16 0.00 0.00 179.01 177.95 1n95 h TYR 355 N 0.51 0.06 -0.05 4.33 3.20 -1.94 -2.96 116.97 120.12 1n95 h TYR 355 Ca 0.01 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1n95 h TYR 355 Cb 1.10 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.36 1n95 h TYR 355 CO 0.05 0.85 -0.00 -1.49 -1.64 0.00 0.00 178.16 175.93 1n95 h TRP 356 N -0.75 0.06 0.00 -3.82 -0.00 -1.53 -0.15 115.95 109.76 1n95 h TRP 356 Ca -0.01 0.00 -0.21 0.00 -0.00 0.00 0.00 58.89 58.67 1n95 h TRP 356 Cb 0.87 -0.02 -0.03 0.00 -0.00 0.00 0.00 29.16 29.97 1n95 h TRP 356 CO 0.21 0.07 -1.21 0.00 -0.00 0.00 0.00 178.44 177.52 1n95 h ARG 357 N 0.07 0.00 -0.04 0.49 3.08 -1.56 -2.94 114.38 113.48 1n95 h ARG 357 Ca 0.02 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 1n95 h ARG 357 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1n95 h ARG 357 CO 0.00 0.63 -0.37 -0.92 -1.07 0.00 0.00 179.97 178.24 1n95 h TYR 358 N 0.00 0.09 0.00 3.04 3.20 -1.06 -0.54 116.97 121.70 1n95 h TYR 358 Ca -0.12 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.70 1n95 h TYR 358 Cb 1.74 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.99 1n95 h TYR 358 CO 0.00 0.44 -0.15 0.82 -1.64 0.00 0.00 178.16 177.63 1n95 h ILE 359 N 0.07 0.28 -0.04 1.81 1.08 -1.08 -0.78 117.51 118.84 1n95 h ILE 359 Ca 0.01 -1.26 -0.16 0.00 -0.39 0.00 0.00 64.86 63.05 1n95 h ILE 359 Cb 0.69 2.02 0.01 0.00 -3.07 0.00 0.00 36.82 36.48 1n95 h ILE 359 CO 0.05 0.15 -0.59 1.23 -0.69 0.00 0.00 178.15 178.30 1n95 h GLY 360 N 3.42 0.53 1.83 5.37 0.00 -1.11 -2.02 103.07 111.09 1n95 h GLY 360 Ca -0.00 -0.85 -0.13 0.00 0.00 0.00 0.00 47.33 46.35 1n95 h GLY 360 CO 0.02 0.75 -0.54 3.21 0.00 0.00 0.00 176.54 179.98 1n95 h ARG 361 N 0.03 0.18 0.02 4.80 3.08 -1.00 -2.94 114.38 118.55 1n95 h ARG 361 Ca -0.06 -0.11 -0.23 0.00 0.07 0.00 0.00 59.98 59.65 1n95 h ARG 361 Cb 1.27 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.33 1n95 h ARG 361 CO 0.12 0.68 -0.96 0.77 -1.07 0.00 0.00 179.97 179.50 1n95 h SER 362 N 0.14 0.46 0.25 7.04 0.02 -1.20 -2.68 113.55 117.58 1n95 h SER 362 Ca 0.00 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1n95 h SER 362 Cb 1.01 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.40 1n95 h SER 362 CO 0.08 1.19 0.00 -0.11 -1.14 0.00 0.00 176.83 176.85 1n95 n LEU 363 N -3.70 0.21 -0.04 5.07 7.94 -0.76 0.30 117.00 126.01 1n95 n LEU 363 Ca -0.06 0.57 -0.01 0.00 -1.11 0.00 0.00 56.01 55.40 1n95 n LEU 363 Cb 0.85 -0.58 -0.00 0.00 0.53 0.00 0.00 43.42 44.22 1n95 n LEU 363 CO 0.51 -0.53 -0.10 1.56 -1.11 0.00 0.00 177.39 177.72 1n95 h GLN 364 N 0.00 0.00 0.85 1.96 1.08 -1.30 -3.38 115.11 114.32 1n95 h GLN 364 Ca 0.00 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 1n95 h GLN 364 Cb 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1n95 h GLN 364 CO 0.00 0.00 -0.45 0.77 -0.95 0.00 0.00 178.83 178.20 1n95 h SER 365 N -0.78 -1.10 -0.02 1.46 0.02 -1.40 -3.52 113.55 108.21 1n95 h SER 365 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1n95 h SER 365 Cb 0.14 0.30 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1n95 h SER 365 CO 0.00 -0.74 0.00 2.29 -1.14 0.00 0.00 176.83 177.24