#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ni2 n LYS 3 N 0.00 1.65 -2.01 -0.52 4.81 -1.26 -4.91 118.16 115.93 1ni2 n LYS 3 Ca 0.00 0.54 -0.37 0.00 -0.87 0.00 0.00 58.31 57.60 1ni2 n LYS 3 Cb 0.00 -2.64 0.02 0.00 0.02 0.00 0.00 35.03 32.44 1ni2 n LYS 3 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1ni2 s PRO 4 N 5.22 3.34 -0.22 1.64 0.04 -1.26 -4.48 135.00 139.27 1ni2 s PRO 4 Ca 1.01 1.97 -0.04 0.00 0.04 0.00 0.00 61.00 63.98 1ni2 s PRO 4 Cb -0.72 -2.24 -0.01 0.00 0.04 0.00 0.00 34.50 31.57 1ni2 s PRO 4 CO 0.49 -0.95 -0.04 0.42 0.04 0.00 0.00 177.00 176.96 1ni2 s ILE 5 N -1.46 3.40 0.20 0.56 1.01 0.23 -4.94 121.20 120.21 1ni2 s ILE 5 Ca 0.70 -0.51 -0.30 0.00 0.00 0.00 0.00 60.65 60.54 1ni2 s ILE 5 Cb -0.34 -2.56 -0.08 0.00 0.01 0.00 0.00 42.46 39.49 1ni2 s ILE 5 CO 0.40 0.40 1.11 0.20 0.00 0.00 0.00 174.94 177.05 1ni2 s ASN 6 N 1.48 7.25 -0.00 3.58 0.01 -1.26 -1.81 114.94 124.19 1ni2 s ASN 6 Ca 0.06 2.15 -0.04 0.00 -0.71 0.00 0.00 52.86 54.32 1ni2 s ASN 6 Cb -0.14 -2.61 -0.00 0.00 0.41 0.00 0.00 41.25 38.90 1ni2 s ASN 6 CO -0.03 -0.21 0.07 0.68 -1.51 0.00 0.00 177.10 176.10 1ni2 s VAL 7 N -0.46 0.07 -0.07 1.60 -7.23 -0.53 -0.83 120.40 112.94 1ni2 s VAL 7 Ca 0.48 -0.57 0.04 0.00 -1.81 0.00 0.00 61.98 60.13 1ni2 s VAL 7 Cb -0.30 -0.29 0.00 0.00 0.56 0.00 0.00 36.38 36.34 1ni2 s VAL 7 CO 0.37 -0.31 -0.21 -0.60 -0.31 0.00 0.00 175.10 174.04 1ni2 s ARG 8 N -1.01 2.45 -0.08 4.82 3.52 0.26 -1.24 118.95 127.67 1ni2 s ARG 8 Ca -0.11 -0.74 0.03 0.00 -0.13 0.00 0.00 55.73 54.78 1ni2 s ARG 8 Cb -0.06 -1.95 0.01 0.00 -1.56 0.00 0.00 34.95 31.38 1ni2 s ARG 8 CO 0.00 0.20 -0.18 0.08 -0.81 0.00 0.00 175.30 174.60 1ni2 s VAL 9 N 0.26 1.56 0.10 7.11 1.01 0.21 -0.42 120.40 130.22 1ni2 s VAL 9 Ca -0.12 -0.73 0.10 0.00 0.00 0.00 0.00 61.98 61.23 1ni2 s VAL 9 Cb -0.16 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 1ni2 s VAL 9 CO 0.06 0.45 -0.25 0.42 0.00 0.00 0.00 175.10 175.78 1ni2 s THR 10 N 0.51 2.38 0.40 3.92 -4.23 -0.04 0.04 115.64 118.62 1ni2 s THR 10 Ca -0.16 -1.59 0.04 0.00 -1.18 0.00 0.00 61.69 58.79 1ni2 s THR 10 Cb -0.17 -2.03 0.04 0.00 1.34 0.00 0.00 72.50 71.68 1ni2 s THR 10 CO 0.06 0.17 0.31 0.35 -0.54 0.00 0.00 174.62 174.97 1ni2 n THR 11 N 1.12 0.00 0.33 3.99 -2.24 0.92 -0.55 114.28 117.87 1ni2 n THR 11 Ca -0.17 -1.56 0.23 0.00 -2.27 0.00 0.00 64.05 60.27 1ni2 n THR 11 Cb 0.53 -0.19 1.21 0.00 -2.10 0.00 0.00 70.33 69.77 1ni2 n THR 11 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1ni2 h MET 12 N 0.00 0.00 0.00 -0.78 2.86 -1.91 -3.15 114.93 111.95 1ni2 h MET 12 Ca -0.25 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.27 1ni2 h MET 12 Cb 0.91 0.00 -0.26 0.00 0.06 0.00 0.00 31.60 32.32 1ni2 h MET 12 CO 0.39 0.00 -0.81 -0.40 1.06 0.00 0.00 176.91 177.15 1ni2 n ASP 13 N -3.05 0.56 -3.49 1.22 5.75 -1.26 -5.03 116.55 111.24 1ni2 n ASP 13 Ca -0.03 -1.97 -0.16 0.00 -0.01 0.00 0.00 54.79 52.62 1ni2 n ASP 13 Cb 0.07 -0.22 -0.05 0.00 -1.03 0.00 0.00 41.12 39.90 1ni2 n ASP 13 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ni2 s ALA 14 N 0.00 -1.73 -0.12 2.12 0.00 -1.19 -5.15 121.76 115.70 1ni2 s ALA 14 Ca 0.21 1.07 0.03 0.00 0.00 0.00 0.00 51.96 53.28 1ni2 s ALA 14 Cb 0.25 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.62 1ni2 s ALA 14 CO -0.11 -0.49 -0.23 -1.83 0.00 0.00 0.00 175.76 173.10 1ni2 s GLU 15 N -1.99 3.06 -0.08 0.00 -1.05 -1.26 -0.05 118.70 117.32 1ni2 s GLU 15 Ca -0.07 -0.86 0.03 0.00 -0.15 0.00 0.00 54.97 53.92 1ni2 s GLU 15 Cb -0.00 -2.37 0.01 0.00 -0.44 0.00 0.00 34.13 31.33 1ni2 s GLU 15 CO 0.02 0.11 -0.17 -0.51 0.95 0.00 0.00 175.26 175.67 1ni2 s LEU 16 N 0.51 1.82 -0.04 1.83 1.43 0.11 -4.99 118.68 119.34 1ni2 s LEU 16 Ca -0.14 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 52.58 1ni2 s LEU 16 Cb -0.17 -1.07 0.01 0.00 0.03 0.00 0.00 46.19 44.99 1ni2 s LEU 16 CO 0.05 0.08 -0.11 -1.83 0.23 0.00 0.00 176.35 174.77 1ni2 s GLU 17 N 0.55 1.31 0.29 1.70 -1.05 -1.26 0.64 118.70 120.88 1ni2 s GLU 17 Ca -0.16 -0.38 -0.20 0.00 -0.15 0.00 0.00 54.97 54.08 1ni2 s GLU 17 Cb -0.17 -1.16 0.05 0.00 -0.44 0.00 0.00 34.13 32.41 1ni2 s GLU 17 CO 0.06 0.11 0.82 -0.59 0.95 0.00 0.00 175.26 176.60 1ni2 s PHE 18 N 0.33 -0.04 -0.06 4.83 -0.12 -0.38 -5.01 117.98 117.54 1ni2 s PHE 18 Ca -0.07 -0.47 -0.02 0.00 -0.05 0.00 0.00 56.93 56.32 1ni2 s PHE 18 Cb -0.11 0.75 -0.04 0.00 -0.63 0.00 0.00 43.02 42.99 1ni2 s PHE 18 CO 0.02 -1.26 0.05 0.00 -0.05 0.00 0.00 175.22 173.98 1ni2 s ALA 19 N -3.02 3.50 0.33 1.99 0.00 -1.26 -1.46 121.76 121.84 1ni2 s ALA 19 Ca 0.14 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.33 1ni2 s ALA 19 Cb -0.05 -1.59 -0.06 0.00 0.00 0.00 0.00 23.12 21.43 1ni2 s ALA 19 CO 0.08 0.63 0.07 0.96 0.00 0.00 0.00 175.76 177.50 1ni2 s ILE 20 N -1.03 1.02 0.17 0.00 -4.36 -0.75 -4.92 121.20 111.33 1ni2 s ILE 20 Ca 0.17 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.62 1ni2 s ILE 20 Cb -0.12 -2.71 -0.04 0.00 1.25 0.00 0.00 42.46 40.85 1ni2 s ILE 20 CO 0.07 0.00 0.10 -1.10 0.24 0.00 0.00 174.94 174.25 1ni2 s GLN 21 N -3.89 2.76 0.61 0.37 -1.52 -1.26 -0.60 119.66 116.13 1ni2 s GLN 21 Ca 0.35 -0.96 0.25 0.00 -1.95 0.00 0.00 55.36 53.05 1ni2 s GLN 21 Cb 0.08 -2.55 1.14 0.00 -0.22 0.00 0.00 33.01 31.45 1ni2 s GLN 21 CO 0.15 0.47 1.59 -1.35 -0.25 0.00 0.00 175.29 175.90 1ni2 h PRO 22 N 2.42 0.00 -0.02 2.91 0.11 -1.92 0.30 132.00 135.80 1ni2 h PRO 22 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ni2 h PRO 22 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ni2 h PRO 22 CO 0.62 0.00 -0.21 0.27 -0.21 0.00 0.00 178.00 178.47 1ni2 n ASN 23 N -3.29 2.41 -4.72 -2.05 6.94 -1.26 -4.51 115.26 108.77 1ni2 n ASN 23 Ca 0.11 -1.70 -0.42 0.00 -0.02 0.00 0.00 54.58 52.55 1ni2 n ASN 23 Cb 0.98 0.22 -0.01 0.00 -2.36 0.00 0.00 39.78 38.61 1ni2 n ASN 23 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 1ni2 n THR 24 N 0.64 1.58 -3.85 5.53 -1.04 0.11 -4.84 114.28 112.40 1ni2 n THR 24 Ca 0.11 -0.39 -0.25 0.00 -2.04 0.00 0.00 64.05 61.47 1ni2 n THR 24 Cb 0.50 -1.73 -0.03 0.00 -1.82 0.00 0.00 70.33 67.25 1ni2 n THR 24 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1ni2 s THR 25 N -0.65 5.27 0.24 12.58 -4.23 -1.26 -1.45 115.64 126.12 1ni2 s THR 25 Ca 0.59 -0.67 -0.05 0.00 -1.18 0.00 0.00 61.69 60.38 1ni2 s THR 25 Cb -0.55 -3.78 0.20 0.00 1.34 0.00 0.00 72.50 69.71 1ni2 s THR 25 CO 0.57 -0.20 1.74 1.23 -0.54 0.00 0.00 174.62 177.42 1ni2 h GLY 26 N 1.78 1.09 0.53 3.99 0.00 -1.61 0.18 103.07 109.03 1ni2 h GLY 26 Ca -0.49 -0.16 0.07 0.00 0.00 0.00 0.00 47.33 46.74 1ni2 h GLY 26 CO 0.66 -0.05 0.22 1.70 0.00 0.00 0.00 176.54 179.07 1ni2 h LYS 27 N 0.48 0.40 -0.20 4.80 3.11 -1.17 1.60 116.57 125.59 1ni2 h LYS 27 Ca 0.39 -0.02 -0.05 0.00 -2.81 0.00 0.00 60.65 58.15 1ni2 h LYS 27 Cb 0.53 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.66 1ni2 h LYS 27 CO -0.36 0.27 -0.10 1.96 -2.81 0.00 0.00 179.45 178.41 1ni2 h GLN 28 N 0.41 0.32 0.04 1.90 4.20 -1.11 0.69 115.11 121.57 1ni2 h GLN 28 Ca 0.26 -0.07 -0.13 0.00 0.06 0.00 0.00 58.65 58.76 1ni2 h GLN 28 Cb 0.27 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.02 1ni2 h GLN 28 CO -0.25 0.44 -0.55 1.25 -0.67 0.00 0.00 178.83 179.05 1ni2 h LEU 29 N 0.31 0.41 -0.43 1.46 5.85 0.13 -3.20 115.31 119.83 1ni2 h LEU 29 Ca 0.06 -0.84 0.09 0.00 0.84 0.00 0.00 57.88 58.03 1ni2 h LEU 29 Cb 0.38 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.20 1ni2 h LEU 29 CO 0.02 1.21 -0.08 0.15 -0.34 0.00 0.00 178.44 179.39 1ni2 h PHE 30 N -0.34 -0.18 -0.33 1.25 3.57 0.25 -2.34 116.94 118.83 1ni2 h PHE 30 Ca -0.08 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.50 1ni2 h PHE 30 Cb 1.33 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 40.18 1ni2 h PHE 30 CO 0.18 -0.17 0.10 -0.44 -2.23 0.00 0.00 178.31 175.76 1ni2 h ASP 31 N 0.02 0.10 -0.69 0.41 3.45 -0.95 -0.95 116.42 117.81 1ni2 h ASP 31 Ca 0.21 0.04 0.02 0.00 0.43 0.00 0.00 57.03 57.73 1ni2 h ASP 31 Cb 0.32 0.03 -0.04 0.00 -0.56 0.00 0.00 39.33 39.08 1ni2 h ASP 31 CO -0.43 0.09 0.44 -0.61 -1.57 0.00 0.00 179.24 177.17 1ni2 h GLN 32 N 0.24 0.86 0.06 3.56 4.15 -1.50 0.37 115.11 122.85 1ni2 h GLN 32 Ca 0.15 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 1ni2 h GLN 32 Cb 0.13 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.63 1ni2 h GLN 32 CO -0.16 0.57 -0.03 0.28 -1.93 0.00 0.00 178.83 177.56 1ni2 h VAL 33 N 0.89 0.95 -0.47 2.39 2.07 -1.00 -0.87 116.25 120.20 1ni2 h VAL 33 Ca 0.27 -0.02 -0.11 0.00 0.82 0.00 0.00 66.70 67.65 1ni2 h VAL 33 Cb -0.04 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1ni2 h VAL 33 CO -0.08 0.01 -0.15 -0.37 0.02 0.00 0.00 177.57 176.99 1ni2 h VAL 34 N -0.08 1.27 -0.15 2.57 -1.51 -0.75 -2.74 116.25 114.86 1ni2 h VAL 34 Ca -0.01 -1.29 -0.05 0.00 -1.23 0.00 0.00 66.70 64.12 1ni2 h VAL 34 Cb 0.07 1.12 -0.01 0.00 -2.13 0.00 0.00 31.29 30.33 1ni2 h VAL 34 CO 0.01 0.45 -0.15 0.11 -1.23 0.00 0.00 177.57 176.76 1ni2 h LYS 35 N 0.78 0.24 -0.41 5.19 1.57 -0.90 0.16 116.57 123.19 1ni2 h LYS 35 Ca 0.12 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 1ni2 h LYS 35 Cb 0.71 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1ni2 h LYS 35 CO 0.05 0.40 -0.00 1.15 -0.57 0.00 0.00 179.45 180.48 1ni2 h THR 36 N 0.23 1.26 -0.01 -0.16 2.02 -0.88 -3.05 112.91 112.32 1ni2 h THR 36 Ca 0.04 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.20 1ni2 h THR 36 Cb 0.41 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1ni2 h THR 36 CO 0.03 0.35 -0.26 2.30 0.37 0.00 0.00 175.52 178.31 1ni2 n ILE 37 N -4.42 0.00 -2.66 3.11 -5.35 -1.06 -4.97 119.36 104.01 1ni2 n ILE 37 Ca -0.01 -0.14 -0.09 0.00 -0.27 0.00 0.00 62.75 62.25 1ni2 n ILE 37 Cb 0.29 0.42 0.02 0.00 -1.74 0.00 0.00 39.64 38.64 1ni2 n ILE 37 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ni2 n GLY 38 N 1.34 0.28 3.48 3.28 0.00 0.48 -5.02 105.19 109.03 1ni2 n GLY 38 Ca 0.12 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 1ni2 n GLY 38 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ni2 s LEU 39 N -3.01 3.28 0.00 0.99 0.20 -0.81 -4.95 118.68 114.39 1ni2 s LEU 39 Ca 0.15 -0.15 0.07 0.00 0.69 0.00 0.00 54.13 54.89 1ni2 s LEU 39 Cb -0.07 -1.81 -0.07 0.00 -0.43 0.00 0.00 46.19 43.82 1ni2 s LEU 39 CO 0.18 0.12 0.35 0.54 -0.29 0.00 0.00 176.35 177.26 1ni2 n ARG 40 N 3.84 4.17 -1.94 1.98 1.74 -1.26 -4.61 116.66 120.58 1ni2 n ARG 40 Ca -0.17 -0.09 -0.41 0.00 -0.77 0.00 0.00 57.85 56.41 1ni2 n ARG 40 Cb 0.52 -0.87 -0.00 0.00 -1.02 0.00 0.00 32.46 31.08 1ni2 n ARG 40 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1ni2 n GLU 41 N -1.02 3.75 0.12 5.56 1.02 -1.26 -4.69 120.64 124.12 1ni2 n GLU 41 Ca 0.02 -3.09 0.12 0.00 -0.02 0.00 0.00 57.16 54.18 1ni2 n GLU 41 Cb 0.12 -2.90 0.47 0.00 -0.02 0.00 0.00 31.44 29.12 1ni2 n GLU 41 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1ni2 n VAL 42 N 3.28 0.76 0.46 2.62 0.24 -1.26 -3.57 118.33 120.87 1ni2 n VAL 42 Ca 0.55 0.10 0.08 0.00 -2.04 0.00 0.00 64.34 63.03 1ni2 n VAL 42 Cb 0.31 -1.00 0.36 0.00 -1.47 0.00 0.00 33.84 32.04 1ni2 n VAL 42 CO 0.00 0.00 0.00 -2.67 -2.14 0.00 0.00 176.83 172.02 1ni2 n TRP 43 N -2.22 0.24 0.03 6.34 2.14 -1.26 -2.75 117.44 119.96 1ni2 n TRP 43 Ca 0.03 0.09 -0.01 0.00 2.07 0.00 0.00 57.50 59.68 1ni2 n TRP 43 Cb 0.28 -0.65 -0.09 0.00 -0.81 0.00 0.00 31.31 30.04 1ni2 n TRP 43 CO 0.00 0.00 0.00 1.88 2.07 0.00 0.00 177.69 181.64 1ni2 h TYR 44 N 0.00 0.00 -1.90 -2.67 -1.99 -1.86 -3.45 116.97 105.09 1ni2 h TYR 44 Ca 0.00 0.00 -0.44 0.00 2.00 0.00 0.00 58.73 60.29 1ni2 h TYR 44 Cb 0.28 0.00 0.04 0.00 2.00 0.00 0.00 36.73 39.05 1ni2 h TYR 44 CO 0.00 0.63 -0.09 -0.06 -0.00 0.00 0.00 178.16 178.64 1ni2 s PHE 45 N -2.88 2.49 0.24 4.88 0.40 -1.11 0.14 117.98 122.14 1ni2 s PHE 45 Ca -0.03 -0.26 -0.21 0.00 -0.60 0.00 0.00 56.93 55.83 1ni2 s PHE 45 Cb 0.09 -2.60 0.06 0.00 0.51 0.00 0.00 43.02 41.08 1ni2 s PHE 45 CO 0.81 -0.88 0.92 0.20 0.70 0.00 0.00 175.22 176.97 1ni2 s GLY 46 N -4.47 0.07 -0.12 4.36 0.00 -0.70 -4.73 107.32 101.72 1ni2 s GLY 46 Ca 0.58 -0.32 0.03 0.00 0.00 0.00 0.00 44.72 45.01 1ni2 s GLY 46 CO 0.38 0.81 -0.22 1.08 0.00 0.00 0.00 173.10 175.14 1ni2 s LEU 47 N -3.15 2.07 0.22 0.66 1.43 -1.26 -1.60 118.68 117.05 1ni2 s LEU 47 Ca 0.16 -0.57 0.11 0.00 -1.03 0.00 0.00 54.13 52.80 1ni2 s LEU 47 Cb -0.03 -1.40 -0.05 0.00 0.03 0.00 0.00 46.19 44.74 1ni2 s LEU 47 CO 0.06 0.10 -0.21 -1.38 0.23 0.00 0.00 176.35 175.15 1ni2 s HIS 48 N 0.67 2.18 0.35 0.29 -3.43 0.28 -0.07 115.29 115.56 1ni2 s HIS 48 Ca -0.11 -0.38 0.02 0.00 -0.80 0.00 0.00 55.06 53.79 1ni2 s HIS 48 Cb -0.16 -1.03 -0.01 0.00 -1.43 0.00 0.00 32.58 29.95 1ni2 s HIS 48 CO 0.02 0.53 0.41 1.52 -2.00 0.00 0.00 174.74 175.22 1ni2 s TYR 49 N -2.07 1.38 -0.18 0.38 1.13 0.43 -1.51 117.35 116.92 1ni2 s TYR 49 Ca 0.23 -1.47 -0.05 0.00 -1.41 0.00 0.00 57.07 54.36 1ni2 s TYR 49 Cb -0.06 -0.33 -0.03 0.00 -1.10 0.00 0.00 41.96 40.44 1ni2 s TYR 49 CO 0.11 -1.06 0.00 0.08 -2.51 0.00 0.00 175.55 172.16 1ni2 s VAL 50 N -3.10 4.12 0.78 -3.49 1.01 -1.26 0.54 120.40 119.01 1ni2 s VAL 50 Ca 0.35 -0.27 -0.10 0.00 0.00 0.00 0.00 61.98 61.96 1ni2 s VAL 50 Cb 0.00 -2.84 0.07 0.00 0.00 0.00 0.00 36.38 33.62 1ni2 s VAL 50 CO 0.24 0.46 1.13 1.51 0.00 0.00 0.00 175.10 178.44 1ni2 s ASP 51 N 0.61 4.61 0.38 3.32 1.47 -0.33 -1.66 116.67 125.07 1ni2 s ASP 51 Ca -0.00 0.68 0.15 0.00 1.18 0.00 0.00 52.55 54.55 1ni2 s ASP 51 Cb -0.14 -1.22 0.82 0.00 -0.34 0.00 0.00 42.92 42.04 1ni2 s ASP 51 CO 0.02 -1.80 1.37 -0.55 0.68 0.00 0.00 175.17 174.89 1ni2 h ASN 52 N -0.91 0.00 0.27 2.11 -1.07 -1.63 0.82 115.58 115.17 1ni2 h ASN 52 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.92 1ni2 h ASN 52 Cb 1.33 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.58 1ni2 h ASN 52 CO 0.64 0.00 -0.65 0.29 0.07 0.00 0.00 177.43 177.78 1ni2 n LYS 53 N -2.18 0.15 -1.07 4.14 5.02 -1.26 -4.95 118.16 118.01 1ni2 n LYS 53 Ca -0.01 -0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 1ni2 n LYS 53 Cb 0.35 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 1ni2 n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ni2 n GLY 54 N 1.48 1.13 3.26 0.72 0.00 0.29 -5.09 105.19 106.98 1ni2 n GLY 54 Ca 0.06 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 1ni2 n GLY 54 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ni2 s PHE 55 N -2.00 2.30 0.15 1.61 0.40 -1.24 -4.82 117.98 114.37 1ni2 s PHE 55 Ca 0.00 -0.59 -0.34 0.00 -0.60 0.00 0.00 56.93 55.40 1ni2 s PHE 55 Cb 0.00 -1.50 -0.16 0.00 0.51 0.00 0.00 43.02 41.87 1ni2 s PHE 55 CO 0.00 -0.15 1.23 -2.30 0.70 0.00 0.00 175.22 174.70 1ni2 n PRO 56 N 2.79 1.20 -3.69 0.24 -0.02 -1.26 -1.18 135.00 133.08 1ni2 n PRO 56 Ca -0.17 0.43 -0.12 0.00 -2.02 0.00 0.00 63.50 61.62 1ni2 n PRO 56 Cb 0.52 -1.98 -0.09 0.00 -0.02 0.00 0.00 33.50 31.93 1ni2 n PRO 56 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1ni2 s THR 57 N 0.04 -0.00 -0.06 3.45 2.01 0.19 -4.88 115.64 116.38 1ni2 s THR 57 Ca 0.77 0.01 -0.18 0.00 0.31 0.00 0.00 61.69 62.60 1ni2 s THR 57 Cb -0.87 -0.74 -0.05 0.00 0.01 0.00 0.00 72.50 70.85 1ni2 s THR 57 CO 0.50 0.01 0.50 0.26 -0.69 0.00 0.00 174.62 175.20 1ni2 s TRP 58 N 0.57 3.61 0.05 4.92 0.52 -1.26 0.16 118.94 127.52 1ni2 s TRP 58 Ca -0.02 1.01 -0.31 0.00 0.02 0.00 0.00 56.10 56.80 1ni2 s TRP 58 Cb -0.05 -2.52 -0.06 0.00 -1.15 0.00 0.00 33.47 29.69 1ni2 s TRP 58 CO -0.03 0.31 1.30 -1.17 0.02 0.00 0.00 176.95 177.38 1ni2 s LEU 59 N 0.05 4.35 0.04 2.99 2.96 0.89 -4.93 118.68 125.03 1ni2 s LEU 59 Ca 0.27 2.11 -0.30 0.00 -0.22 0.00 0.00 54.13 55.99 1ni2 s LEU 59 Cb -0.16 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 1ni2 s LEU 59 CO 0.13 -0.59 1.01 -0.54 -1.32 0.00 0.00 176.35 175.05 1ni2 s LYS 60 N 1.46 4.57 0.05 1.98 3.01 -1.26 -4.72 119.74 124.83 1ni2 s LYS 60 Ca 0.61 1.49 0.26 0.00 -1.01 0.00 0.00 55.97 57.32 1ni2 s LYS 60 Cb -0.32 -3.42 0.72 0.00 -1.01 0.00 0.00 37.83 33.81 1ni2 s LYS 60 CO 0.28 -0.02 1.59 1.28 0.51 0.00 0.00 175.35 178.99 1ni2 n LEU 61 N 3.60 0.42 0.01 3.17 4.77 -1.26 -3.89 117.00 123.82 1ni2 n LEU 61 Ca 0.05 0.25 0.11 0.00 -0.03 0.00 0.00 56.01 56.40 1ni2 n LEU 61 Cb 0.50 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 41.22 1ni2 n LEU 61 CO 0.52 0.02 -0.10 -0.90 -1.33 0.00 0.00 177.39 175.60 1ni2 n ASP 62 N -1.70 0.66 -4.69 -1.43 5.75 -1.26 -0.73 116.55 113.15 1ni2 n ASP 62 Ca 0.05 -0.49 -0.25 0.00 -0.01 0.00 0.00 54.79 54.09 1ni2 n ASP 62 Cb 0.37 1.02 -0.07 0.00 -1.03 0.00 0.00 41.12 41.41 1ni2 n ASP 62 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1ni2 s LYS 63 N -3.15 2.47 0.24 0.11 1.02 -1.25 -4.92 119.74 114.25 1ni2 s LYS 63 Ca 0.04 -1.17 -0.31 0.00 0.02 0.00 0.00 55.97 54.54 1ni2 s LYS 63 Cb 0.15 -2.35 -0.13 0.00 -0.52 0.00 0.00 37.83 34.99 1ni2 s LYS 63 CO 0.84 0.42 1.58 1.63 -0.92 0.00 0.00 175.35 178.90 1ni2 n LYS 64 N -0.50 2.47 -0.18 1.68 5.02 -1.26 -2.82 118.16 122.56 1ni2 n LYS 64 Ca -0.08 0.88 -0.01 0.00 -2.02 0.00 0.00 58.31 57.08 1ni2 n LYS 64 Cb 0.57 -2.65 0.07 0.00 -0.02 0.00 0.00 35.03 33.00 1ni2 n LYS 64 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ni2 h VAL 65 N 3.44 0.52 0.00 -0.18 2.07 -1.55 0.61 116.25 121.16 1ni2 h VAL 65 Ca -0.45 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1ni2 h VAL 65 Cb 1.24 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1ni2 h VAL 65 CO 0.84 0.02 0.00 -1.54 0.02 0.00 0.00 177.57 176.91 1ni2 n SER 66 N -5.29 0.60 -0.03 0.57 3.41 -1.26 -2.17 113.62 109.45 1ni2 n SER 66 Ca 0.07 0.72 0.14 0.00 -0.26 0.00 0.00 58.87 59.54 1ni2 n SER 66 Cb 0.31 -0.82 0.82 0.00 -0.26 0.00 0.00 64.21 64.27 1ni2 n SER 66 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ni2 n ALA 67 N -1.77 2.66 -2.44 7.33 0.00 0.21 -4.75 120.51 121.76 1ni2 n ALA 67 Ca 0.00 -0.20 -0.25 0.00 0.00 0.00 0.00 53.44 53.00 1ni2 n ALA 67 Cb 0.12 -1.44 -0.11 0.00 0.00 0.00 0.00 19.45 18.01 1ni2 n ALA 67 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ni2 s GLN 68 N -2.00 1.45 -0.02 0.00 -0.21 -0.92 -4.95 119.66 113.00 1ni2 s GLN 68 Ca 0.42 -1.51 -0.02 0.00 0.02 0.00 0.00 55.36 54.27 1ni2 s GLN 68 Cb 0.20 -1.64 -0.08 0.00 1.00 0.00 0.00 33.01 32.49 1ni2 s GLN 68 CO 0.33 0.34 2.54 0.39 -2.12 0.00 0.00 175.29 176.77 1ni2 n GLU 69 N 0.16 1.38 -1.69 2.91 1.02 -1.26 -4.95 120.64 118.21 1ni2 n GLU 69 Ca -0.12 -0.43 -0.54 0.00 -0.02 0.00 0.00 57.16 56.05 1ni2 n GLU 69 Cb 0.57 -1.37 -0.06 0.00 -0.02 0.00 0.00 31.44 30.56 1ni2 n GLU 69 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ni2 n VAL 70 N 1.76 0.41 -1.05 2.62 0.31 -1.26 -1.82 118.33 119.30 1ni2 n VAL 70 Ca 0.16 -0.08 -0.41 0.00 -0.01 0.00 0.00 64.34 64.00 1ni2 n VAL 70 Cb 0.64 -1.48 -0.06 0.00 -0.91 0.00 0.00 33.84 32.03 1ni2 n VAL 70 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1ni2 n ARG 71 N 5.97 0.00 -2.33 5.55 0.63 -0.67 -4.68 116.66 121.13 1ni2 n ARG 71 Ca 0.26 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.76 1ni2 n ARG 71 Cb 0.19 -0.96 -0.03 0.00 0.45 0.00 0.00 32.46 32.12 1ni2 n ARG 71 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1ni2 s LYS 72 N 1.07 4.28 0.05 -0.14 2.20 -1.26 -4.82 119.74 121.12 1ni2 s LYS 72 Ca 0.63 1.81 -0.28 0.00 -0.36 0.00 0.00 55.97 57.77 1ni2 s LYS 72 Cb -0.89 -3.67 0.09 0.00 -1.51 0.00 0.00 37.83 31.85 1ni2 s LYS 72 CO 0.45 -0.60 1.11 -1.83 -0.36 0.00 0.00 175.35 174.12 1ni2 s GLU 73 N 2.85 0.78 -0.21 4.03 -1.05 -1.26 -5.10 118.70 118.73 1ni2 s GLU 73 Ca 0.60 -0.42 -0.00 0.00 -0.15 0.00 0.00 54.97 55.00 1ni2 s GLU 73 Cb -0.27 0.28 0.06 0.00 -0.44 0.00 0.00 34.13 33.76 1ni2 s GLU 73 CO 0.22 -0.36 -0.04 1.21 0.95 0.00 0.00 175.26 177.24 1ni2 s ASN 74 N -2.88 3.45 0.83 0.83 3.84 -1.26 -3.36 114.94 116.39 1ni2 s ASN 74 Ca 0.12 -0.99 -0.06 0.00 0.21 0.00 0.00 52.86 52.14 1ni2 s ASN 74 Cb 0.01 -1.02 0.17 0.00 -0.55 0.00 0.00 41.25 39.86 1ni2 s ASN 74 CO -0.02 -0.23 1.07 -0.81 -2.79 0.00 0.00 177.10 174.32 1ni2 n PRO 75 N 4.78 -0.50 -2.30 0.43 -0.04 -1.26 -5.12 135.00 130.99 1ni2 n PRO 75 Ca -0.12 -2.36 -0.34 0.00 -0.04 0.00 0.00 63.50 60.64 1ni2 n PRO 75 Cb 0.45 -0.88 -0.01 0.00 -0.04 0.00 0.00 33.50 33.03 1ni2 n PRO 75 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ni2 s LEU 76 N 0.00 3.73 -0.14 1.53 1.43 -0.01 -4.80 118.68 120.42 1ni2 s LEU 76 Ca 0.66 2.05 -0.01 0.00 -1.03 0.00 0.00 54.13 55.81 1ni2 s LEU 76 Cb -0.03 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.61 1ni2 s LEU 76 CO 0.45 -1.10 -0.12 -1.10 0.23 0.00 0.00 176.35 174.70 1ni2 s GLN 77 N -3.39 3.37 0.06 1.70 -1.52 -1.26 -0.57 119.66 118.04 1ni2 s GLN 77 Ca 0.70 -0.68 0.04 0.00 -1.95 0.00 0.00 55.36 53.47 1ni2 s GLN 77 Cb -0.21 -2.68 -0.03 0.00 -0.22 0.00 0.00 33.01 29.88 1ni2 s GLN 77 CO 0.27 0.15 -0.12 -0.06 -0.25 0.00 0.00 175.29 175.27 1ni2 s PHE 78 N 0.53 1.07 -0.15 0.91 0.40 0.44 -4.56 117.98 116.61 1ni2 s PHE 78 Ca -0.08 -0.44 0.01 0.00 -0.60 0.00 0.00 56.93 55.82 1ni2 s PHE 78 Cb -0.16 -0.62 0.02 0.00 0.51 0.00 0.00 43.02 42.78 1ni2 s PHE 78 CO 0.04 0.02 -0.17 0.15 0.70 0.00 0.00 175.22 175.95 1ni2 s LYS 79 N -1.54 2.61 -0.35 0.44 1.02 -0.57 -0.86 119.74 120.49 1ni2 s LYS 79 Ca -0.03 -0.69 -0.21 0.00 0.02 0.00 0.00 55.97 55.06 1ni2 s LYS 79 Cb -0.09 -2.26 0.00 0.00 -0.52 0.00 0.00 37.83 34.96 1ni2 s LYS 79 CO 0.02 -0.16 0.69 0.12 -0.92 0.00 0.00 175.35 175.09 1ni2 s PHE 80 N 1.24 3.15 0.16 3.18 5.36 0.29 -0.55 117.98 130.80 1ni2 s PHE 80 Ca 0.01 0.45 -0.03 0.00 -0.96 0.00 0.00 56.93 56.40 1ni2 s PHE 80 Cb -0.14 -3.21 -0.03 0.00 -0.34 0.00 0.00 43.02 39.30 1ni2 s PHE 80 CO -0.08 -0.64 0.14 1.03 -1.46 0.00 0.00 175.22 174.20 1ni2 s ARG 81 N 2.83 1.08 -0.02 10.12 1.81 -0.63 -4.38 118.95 129.76 1ni2 s ARG 81 Ca 0.27 -1.44 -0.27 0.00 -1.72 0.00 0.00 55.73 52.56 1ni2 s ARG 81 Cb -0.14 0.28 -0.03 0.00 -0.45 0.00 0.00 34.95 34.61 1ni2 s ARG 81 CO 0.15 -0.35 0.87 0.00 -0.68 0.00 0.00 175.30 175.30 1ni2 s ALA 82 N -4.07 3.23 -0.06 2.13 0.00 -1.26 -1.71 121.76 120.01 1ni2 s ALA 82 Ca 0.27 0.39 0.21 0.00 0.00 0.00 0.00 51.96 52.83 1ni2 s ALA 82 Cb 0.06 -3.19 -0.32 0.00 0.00 0.00 0.00 23.12 19.67 1ni2 s ALA 82 CO 0.05 -0.17 0.40 1.17 0.00 0.00 0.00 175.76 177.21 1ni2 n LYS 83 N 3.81 0.67 -4.15 0.00 4.81 0.12 -4.94 118.16 118.48 1ni2 n LYS 83 Ca 0.03 -0.16 -0.17 0.00 -0.87 0.00 0.00 58.31 57.14 1ni2 n LYS 83 Cb 0.51 -1.52 -0.12 0.00 0.02 0.00 0.00 35.03 33.92 1ni2 n LYS 83 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1ni2 s PHE 84 N -3.31 1.00 0.11 5.64 0.40 -0.77 -5.06 117.98 115.98 1ni2 s PHE 84 Ca -0.08 -0.45 0.08 0.00 -0.60 0.00 0.00 56.93 55.88 1ni2 s PHE 84 Cb 0.12 -0.58 -0.04 0.00 0.51 0.00 0.00 43.02 43.04 1ni2 s PHE 84 CO 0.89 0.00 -0.15 0.71 0.70 0.00 0.00 175.22 177.37 1ni2 s TYR 85 N -1.22 2.61 0.85 0.36 1.51 -1.26 -4.78 117.35 115.42 1ni2 s TYR 85 Ca -0.04 -0.22 -0.11 0.00 -1.01 0.00 0.00 57.07 55.68 1ni2 s TYR 85 Cb -0.09 -1.38 0.10 0.00 -0.11 0.00 0.00 41.96 40.47 1ni2 s TYR 85 CO 0.01 0.40 1.09 -2.14 -1.11 0.00 0.00 175.55 173.80 1ni2 s PRO 86 N -2.13 1.67 0.27 -1.71 0.02 -1.26 -4.76 135.00 127.10 1ni2 s PRO 86 Ca 0.19 0.88 0.14 0.00 0.02 0.00 0.00 61.00 62.23 1ni2 s PRO 86 Cb -0.11 -1.85 0.14 0.00 0.02 0.00 0.00 34.50 32.70 1ni2 s PRO 86 CO 0.11 -1.97 1.47 0.93 -0.33 0.00 0.00 177.00 177.21 1ni2 h GLU 87 N -1.35 0.00 -1.90 5.54 5.08 -1.99 -3.42 114.58 116.54 1ni2 h GLU 87 Ca -0.47 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 57.66 1ni2 h GLU 87 Cb 1.27 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.21 1ni2 h GLU 87 CO 0.55 0.58 -0.56 0.34 -1.00 0.00 0.00 179.01 178.92 1ni2 s ASP 88 N -6.51 0.76 0.24 1.42 2.15 -1.26 -5.04 116.67 108.43 1ni2 s ASP 88 Ca 0.03 -0.37 -0.05 0.00 0.43 0.00 0.00 52.55 52.59 1ni2 s ASP 88 Cb 0.09 0.91 0.39 0.00 -0.30 0.00 0.00 42.92 44.01 1ni2 s ASP 88 CO 0.75 -0.35 1.79 0.58 -0.17 0.00 0.00 175.17 177.77 1ni2 h VAL 89 N 6.20 0.86 -0.23 1.11 2.07 -1.92 -0.44 116.25 123.90 1ni2 h VAL 89 Ca -0.12 -0.24 0.06 0.00 0.82 0.00 0.00 66.70 67.21 1ni2 h VAL 89 Cb 1.11 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1ni2 h VAL 89 CO 0.29 0.13 0.16 0.00 0.02 0.00 0.00 177.57 178.17 1ni2 h ALA 90 N 1.46 2.15 0.00 1.67 0.00 -1.92 -2.56 119.26 120.06 1ni2 h ALA 90 Ca 0.39 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.94 1ni2 h ALA 90 Cb 0.40 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 1ni2 h ALA 90 CO -0.27 -0.21 -2.31 0.39 0.00 0.00 0.00 179.25 176.85 1ni2 n GLU 91 N -4.48 0.87 -0.09 0.00 -0.58 -0.87 -4.80 120.64 110.69 1ni2 n GLU 91 Ca 0.02 0.01 -0.14 0.00 -0.42 0.00 0.00 57.16 56.64 1ni2 n GLU 91 Cb 0.28 -1.48 -0.07 0.00 -0.57 0.00 0.00 31.44 29.59 1ni2 n GLU 91 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1ni2 h GLU 92 N 0.00 0.00 -6.18 3.49 5.08 -0.99 -3.46 114.58 112.51 1ni2 h GLU 92 Ca -0.52 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.16 1ni2 h GLU 92 Cb 2.11 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.38 1ni2 h GLU 92 CO 0.01 0.57 1.02 1.28 -1.00 0.00 0.00 179.01 180.89 1ni2 n LEU 93 N -4.53 2.78 -0.11 1.33 4.77 -0.97 -4.88 117.00 115.39 1ni2 n LEU 93 Ca -0.19 0.99 -0.20 0.00 -0.03 0.00 0.00 56.01 56.58 1ni2 n LEU 93 Cb 0.47 -1.24 -0.08 0.00 -2.33 0.00 0.00 43.42 40.25 1ni2 n LEU 93 CO 0.16 -0.30 -0.82 -0.38 -1.33 0.00 0.00 177.39 174.71 1ni2 n ILE 94 N 5.01 1.51 -2.41 -0.08 5.41 -1.26 -4.96 119.36 122.58 1ni2 n ILE 94 Ca 0.26 -0.08 -0.32 0.00 1.00 0.00 0.00 62.75 63.62 1ni2 n ILE 94 Cb 0.20 -2.10 -0.03 0.00 -0.71 0.00 0.00 39.64 37.00 1ni2 n ILE 94 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1ni2 s GLN 95 N -2.47 3.93 0.04 0.38 -0.21 -1.26 -4.98 119.66 115.08 1ni2 s GLN 95 Ca -0.30 0.92 -0.21 0.00 0.02 0.00 0.00 55.36 55.79 1ni2 s GLN 95 Cb 0.08 -2.15 -0.14 0.00 1.00 0.00 0.00 33.01 31.80 1ni2 s GLN 95 CO 0.47 -0.26 1.40 -0.44 -2.12 0.00 0.00 175.29 174.33 1ni2 h ASP 96 N 0.91 0.29 -0.48 5.90 3.32 -1.97 -1.99 116.42 122.40 1ni2 h ASP 96 Ca -0.47 -0.41 0.06 0.00 0.02 0.00 0.00 57.03 56.23 1ni2 h ASP 96 Cb 1.18 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 40.60 1ni2 h ASP 96 CO 0.62 0.63 0.19 -0.29 -1.72 0.00 0.00 179.24 178.67 1ni2 h ILE 97 N -0.05 0.87 -0.88 0.35 6.09 -1.93 0.42 117.51 122.37 1ni2 h ILE 97 Ca 0.03 -0.13 0.01 0.00 -1.37 0.00 0.00 64.86 63.40 1ni2 h ILE 97 Cb 0.52 0.46 -0.04 0.00 0.47 0.00 0.00 36.82 38.23 1ni2 h ILE 97 CO 0.02 0.07 0.58 0.74 -3.07 0.00 0.00 178.15 176.49 1ni2 h THR 98 N 0.38 1.22 -0.11 2.19 2.02 -1.92 0.63 112.91 117.32 1ni2 h THR 98 Ca 0.22 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1ni2 h THR 98 Cb 0.20 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 66.54 1ni2 h THR 98 CO -0.21 0.22 0.03 1.56 0.37 0.00 0.00 175.52 177.49 1ni2 h GLN 99 N 1.18 0.17 -0.08 6.66 4.20 -0.30 -2.13 115.11 124.82 1ni2 h GLN 99 Ca 0.33 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 59.03 1ni2 h GLN 99 Cb -0.12 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 1ni2 h GLN 99 CO -0.08 0.34 -0.11 -0.22 -0.67 0.00 0.00 178.83 178.09 1ni2 h LYS 100 N -0.03 -0.14 -0.59 1.46 3.64 0.17 0.89 116.57 121.98 1ni2 h LYS 100 Ca 0.03 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1ni2 h LYS 100 Cb 0.24 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 1ni2 h LYS 100 CO -0.00 -0.09 0.39 -0.07 -2.27 0.00 0.00 179.45 177.41 1ni2 h LEU 101 N -0.14 0.58 -0.14 5.20 4.07 -0.78 -1.08 115.31 123.01 1ni2 h LEU 101 Ca 0.07 -0.01 -0.23 0.00 0.08 0.00 0.00 57.88 57.79 1ni2 h LEU 101 Cb 0.24 -0.13 0.01 0.00 1.08 0.00 0.00 40.66 41.85 1ni2 h LEU 101 CO -0.17 0.40 -0.91 -0.26 -1.08 0.00 0.00 178.44 176.42 1ni2 h PHE 102 N 0.67 0.86 -0.46 1.13 -1.00 -0.92 -2.61 116.94 114.62 1ni2 h PHE 102 Ca 0.24 -0.43 0.03 0.00 2.81 0.00 0.00 57.97 60.62 1ni2 h PHE 102 Cb 0.11 -0.11 -0.04 0.00 3.61 0.00 0.00 35.95 39.52 1ni2 h PHE 102 CO -0.00 1.25 0.24 0.35 -1.61 0.00 0.00 178.31 178.55 1ni2 h PHE 103 N 0.36 0.45 -0.29 -0.55 3.04 0.10 -1.09 116.94 118.96 1ni2 h PHE 103 Ca -0.08 0.02 -0.10 0.00 3.98 0.00 0.00 57.97 61.78 1ni2 h PHE 103 Cb 1.54 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 39.91 1ni2 h PHE 103 CO 0.08 0.24 -0.21 -0.07 -2.02 0.00 0.00 178.31 176.32 1ni2 h LEU 104 N 0.49 0.69 -0.42 0.59 3.38 -1.27 -0.78 115.31 117.99 1ni2 h LEU 104 Ca 0.20 -0.44 -0.15 0.00 0.09 0.00 0.00 57.88 57.58 1ni2 h LEU 104 Cb 0.08 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1ni2 h LEU 104 CO -0.12 0.99 -0.32 -0.61 0.09 0.00 0.00 178.44 178.47 1ni2 h GLN 105 N 0.41 0.96 0.05 1.13 4.15 -1.37 -0.97 115.11 119.46 1ni2 h GLN 105 Ca 0.06 -0.47 -0.00 0.00 0.77 0.00 0.00 58.65 59.01 1ni2 h GLN 105 Cb 0.76 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.45 1ni2 h GLN 105 CO 0.06 1.13 -0.02 0.28 -1.93 0.00 0.00 178.83 178.34 1ni2 h VAL 106 N 0.79 1.12 -0.70 2.39 2.07 -1.22 -2.29 116.25 118.42 1ni2 h VAL 106 Ca 0.08 -0.54 0.09 0.00 0.82 0.00 0.00 66.70 67.15 1ni2 h VAL 106 Cb 0.91 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 32.11 1ni2 h VAL 106 CO 0.08 0.14 0.46 0.50 0.02 0.00 0.00 177.57 178.77 1ni2 h LYS 107 N -0.30 0.59 -0.54 1.57 3.64 -1.07 -0.63 116.57 119.83 1ni2 h LYS 107 Ca -0.01 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 1ni2 h LYS 107 Cb 0.27 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1ni2 h LYS 107 CO 0.01 0.39 0.03 1.49 -2.27 0.00 0.00 179.45 179.10 1ni2 h GLU 108 N 0.61 0.93 -0.06 1.90 4.81 -0.94 0.04 114.58 121.86 1ni2 h GLU 108 Ca 0.32 -0.28 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 1ni2 h GLU 108 Cb 0.44 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1ni2 h GLU 108 CO -0.11 0.93 -0.40 0.78 -0.73 0.00 0.00 179.01 179.48 1ni2 h GLY 109 N 0.81 0.15 0.64 1.92 0.00 -0.71 -1.46 103.07 104.41 1ni2 h GLY 109 Ca 0.16 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.29 1ni2 h GLY 109 CO 0.02 0.12 -0.20 -2.22 0.00 0.00 0.00 176.54 174.26 1ni2 h ILE 110 N 0.12 1.42 0.00 2.60 2.04 -0.88 -1.34 117.51 121.46 1ni2 h ILE 110 Ca 0.01 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 64.32 1ni2 h ILE 110 Cb 0.77 2.23 0.00 0.00 -0.74 0.00 0.00 36.82 39.08 1ni2 h ILE 110 CO 0.06 0.44 0.00 -0.07 0.00 0.00 0.00 178.15 178.58 1ni2 h LEU 111 N -0.22 0.00 -0.96 1.44 3.38 -0.86 -2.47 115.31 115.63 1ni2 h LEU 111 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ni2 h LEU 111 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1ni2 h LEU 111 CO 0.04 0.00 -0.11 -1.20 0.09 0.00 0.00 178.44 177.27 1ni2 n SER 112 N -2.58 1.59 -0.23 -0.43 7.64 -0.56 -4.39 113.62 114.67 1ni2 n SER 112 Ca 0.01 -1.39 -0.03 0.00 1.01 0.00 0.00 58.87 58.47 1ni2 n SER 112 Cb 0.22 0.07 -0.01 0.00 -1.01 0.00 0.00 64.21 63.48 1ni2 n SER 112 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1ni2 n ASP 113 N 0.08 -4.15 -0.11 6.43 8.00 -0.93 -4.90 116.55 120.98 1ni2 n ASP 113 Ca 0.16 0.07 -0.13 0.00 0.71 0.00 0.00 54.79 55.60 1ni2 n ASP 113 Cb 0.39 -1.91 -0.03 0.00 -0.02 0.00 0.00 41.12 39.55 1ni2 n ASP 113 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1ni2 h GLU 114 N 0.38 0.79 -4.89 -1.24 5.08 -1.48 -3.41 114.58 109.81 1ni2 h GLU 114 Ca -0.06 -0.40 -0.66 0.00 -1.00 0.00 0.00 59.36 57.24 1ni2 h GLU 114 Cb 0.46 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.49 1ni2 h GLU 114 CO 0.09 1.03 -0.60 0.42 -1.00 0.00 0.00 179.01 178.95 1ni2 s ILE 115 N -4.44 4.42 0.36 3.13 1.01 -0.99 -5.03 121.20 119.66 1ni2 s ILE 115 Ca -0.12 -0.25 -0.28 0.00 0.00 0.00 0.00 60.65 60.00 1ni2 s ILE 115 Cb 0.10 -3.13 -0.11 0.00 0.01 0.00 0.00 42.46 39.32 1ni2 s ILE 115 CO 0.84 0.25 1.49 0.00 0.00 0.00 0.00 174.94 177.52 1ni2 n TYR 116 N 4.94 2.91 -3.67 3.97 9.36 -1.26 -4.73 117.16 128.68 1ni2 n TYR 116 Ca -0.15 0.42 -0.14 0.00 3.32 0.00 0.00 57.90 61.35 1ni2 n TYR 116 Cb 0.51 -2.53 -0.14 0.00 -0.63 0.00 0.00 39.34 36.54 1ni2 n TYR 116 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1ni2 n PRO 118 N 5.18 1.30 -0.24 0.00 -0.02 -1.26 -4.81 135.00 135.16 1ni2 n PRO 118 Ca -0.09 0.50 0.02 0.00 -2.02 0.00 0.00 63.50 61.91 1ni2 n PRO 118 Cb 0.50 -2.55 0.14 0.00 -0.02 0.00 0.00 33.50 31.57 1ni2 n PRO 118 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1ni2 h PRO 119 N 0.81 0.52 -0.40 0.52 0.13 -2.00 -1.68 132.00 129.91 1ni2 h PRO 119 Ca -0.51 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.56 1ni2 h PRO 119 Cb 1.33 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1ni2 h PRO 119 CO 0.54 0.34 0.12 1.49 -0.23 0.00 0.00 178.00 180.26 1ni2 h GLU 120 N 0.53 0.62 0.00 0.86 4.22 -2.01 -2.23 114.58 116.57 1ni2 h GLU 120 Ca 0.35 -0.14 -0.02 0.00 0.08 0.00 0.00 59.36 59.63 1ni2 h GLU 120 Cb 0.41 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1ni2 h GLU 120 CO -0.29 0.63 -0.08 1.15 -2.18 0.00 0.00 179.01 178.23 1ni2 h THR 121 N 0.50 0.41 -0.18 0.32 2.02 -1.84 -2.64 112.91 111.49 1ni2 h THR 121 Ca 0.13 -0.45 -0.19 0.00 0.77 0.00 0.00 66.41 66.67 1ni2 h THR 121 Cb 0.27 1.31 -0.00 0.00 -1.74 0.00 0.00 68.15 68.00 1ni2 h THR 121 CO -0.00 0.08 -0.64 0.00 0.37 0.00 0.00 175.52 175.33 1ni2 h ALA 122 N 1.92 0.52 -0.04 6.16 0.00 -0.69 -1.40 119.26 125.73 1ni2 h ALA 122 Ca -0.00 -0.55 -0.20 0.00 0.00 0.00 0.00 54.91 54.15 1ni2 h ALA 122 Cb 0.31 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ni2 h ALA 122 CO 0.01 0.70 -0.84 -0.39 0.00 0.00 0.00 179.25 178.74 1ni2 h VAL 123 N 0.49 1.40 -0.45 0.00 -1.51 -1.30 -1.12 116.25 113.76 1ni2 h VAL 123 Ca -0.01 -2.33 -0.13 0.00 -1.23 0.00 0.00 66.70 63.00 1ni2 h VAL 123 Cb 1.23 2.28 -0.01 0.00 -2.13 0.00 0.00 31.29 32.65 1ni2 h VAL 123 CO 0.13 0.69 -0.24 0.25 -1.23 0.00 0.00 177.57 177.17 1ni2 h LEU 124 N 0.24 0.97 -0.41 4.19 5.85 -1.49 0.15 115.31 124.81 1ni2 h LEU 124 Ca -0.05 -0.38 -0.08 0.00 0.84 0.00 0.00 57.88 58.21 1ni2 h LEU 124 Cb 1.44 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 1ni2 h LEU 124 CO 0.14 1.16 -0.06 -0.07 -0.34 0.00 0.00 178.44 179.27 1ni2 h LEU 125 N 0.81 0.76 -1.42 2.25 3.38 -1.22 -2.54 115.31 117.34 1ni2 h LEU 125 Ca 0.10 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 1ni2 h LEU 125 Cb 0.81 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1ni2 h LEU 125 CO 0.07 0.93 -0.10 1.23 0.09 0.00 0.00 178.44 180.66 1ni2 h GLY 126 N 0.59 0.28 1.01 0.83 0.00 -0.97 -1.48 103.07 103.33 1ni2 h GLY 126 Ca 0.11 -0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.22 1ni2 h GLY 126 CO 0.03 0.15 0.15 1.48 0.00 0.00 0.00 176.54 178.35 1ni2 h SER 127 N 0.25 0.87 -0.47 0.19 4.64 -0.34 -0.97 113.55 117.71 1ni2 h SER 127 Ca 0.05 -0.23 -0.08 0.00 -0.47 0.00 0.00 61.79 61.06 1ni2 h SER 127 Cb 0.34 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 1ni2 h SER 127 CO 0.02 0.87 -0.02 1.88 -0.87 0.00 0.00 176.83 178.71 1ni2 h TYR 128 N 0.83 0.93 -0.69 4.77 0.99 -1.01 -1.34 116.97 121.45 1ni2 h TYR 128 Ca 0.18 -0.17 0.02 0.00 2.00 0.00 0.00 58.73 60.76 1ni2 h TYR 128 Cb 0.34 -0.24 -0.04 0.00 1.00 0.00 0.00 36.73 37.79 1ni2 h TYR 128 CO 0.02 0.89 0.46 0.00 -0.00 0.00 0.00 178.16 179.54 1ni2 h ALA 129 N 0.91 1.56 -0.11 3.88 0.00 -1.00 -0.32 119.26 124.18 1ni2 h ALA 129 Ca 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1ni2 h ALA 129 Cb 0.53 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ni2 h ALA 129 CO 0.03 0.39 0.02 0.28 0.00 0.00 0.00 179.25 179.97 1ni2 h VAL 130 N 0.89 1.22 0.21 0.00 2.07 -0.83 -1.89 116.25 117.92 1ni2 h VAL 130 Ca 0.27 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 1ni2 h VAL 130 Cb -0.02 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1ni2 h VAL 130 CO -0.07 0.20 -0.36 -0.61 0.02 0.00 0.00 177.57 176.75 1ni2 h GLN 131 N -0.05 -0.58 -0.92 1.57 5.75 -0.31 0.85 115.11 121.42 1ni2 h GLN 131 Ca 0.03 0.04 0.26 0.00 -0.15 0.00 0.00 58.65 58.83 1ni2 h GLN 131 Cb 0.29 0.13 -0.16 0.00 1.07 0.00 0.00 27.48 28.81 1ni2 h GLN 131 CO 0.00 -0.39 0.17 0.00 -2.65 0.00 0.00 178.83 175.97 1ni2 h ALA 132 N -1.01 1.29 -0.28 3.38 0.00 -1.07 -1.72 119.26 119.85 1ni2 h ALA 132 Ca -0.02 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1ni2 h ALA 132 Cb 0.56 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1ni2 h ALA 132 CO -0.12 -0.55 0.00 1.17 0.00 0.00 0.00 179.25 179.75 1ni2 n LYS 133 N -5.33 0.00 -0.11 0.00 4.81 -0.71 -4.56 118.16 112.25 1ni2 n LYS 133 Ca 0.23 0.40 -0.01 0.00 -0.87 0.00 0.00 58.31 58.06 1ni2 n LYS 133 Cb 0.76 -0.89 0.25 0.00 0.02 0.00 0.00 35.03 35.16 1ni2 n LYS 133 CO 0.00 0.00 0.00 0.74 1.17 0.00 0.00 177.40 179.31 1ni2 h PHE 134 N 0.00 0.78 0.00 5.64 -1.00 -0.92 -3.49 116.94 117.95 1ni2 h PHE 134 Ca 0.00 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.74 1ni2 h PHE 134 Cb 0.00 -0.24 0.00 0.00 3.61 0.00 0.00 35.95 39.32 1ni2 h PHE 134 CO 0.00 0.61 0.00 0.41 -1.61 0.00 0.00 178.31 177.72 1ni2 n GLY 135 N -1.07 0.27 0.09 -1.45 0.00 -0.65 -4.81 105.19 97.58 1ni2 n GLY 135 Ca 0.04 -1.35 -0.04 0.00 0.00 0.00 0.00 46.02 44.68 1ni2 n GLY 135 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ni2 n ASP 136 N 0.00 0.79 0.00 1.61 9.92 -1.26 -4.52 116.55 123.09 1ni2 n ASP 136 Ca 0.00 0.36 0.00 0.00 -0.53 0.00 0.00 54.79 54.62 1ni2 n ASP 136 Cb 0.00 0.17 0.00 0.00 -0.64 0.00 0.00 41.12 40.65 1ni2 n ASP 136 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ni2 n TYR 137 N -2.92 0.00 -4.74 1.24 9.36 -1.26 -4.75 117.16 114.08 1ni2 n TYR 137 Ca -0.14 0.00 -0.33 0.00 3.32 0.00 0.00 57.90 60.75 1ni2 n TYR 137 Cb 0.94 0.00 -0.12 0.00 -0.63 0.00 0.00 39.34 39.52 1ni2 n TYR 137 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1ni2 s ASN 138 N 0.00 4.32 0.06 2.98 3.84 -1.26 -4.99 114.94 119.89 1ni2 s ASN 138 Ca 0.00 -0.13 0.24 0.00 0.21 0.00 0.00 52.86 53.18 1ni2 s ASN 138 Cb 0.00 -1.11 0.31 0.00 -0.55 0.00 0.00 41.25 39.90 1ni2 s ASN 138 CO 0.00 0.32 1.27 1.17 -2.79 0.00 0.00 177.10 177.07 1ni2 n LYS 139 N 2.47 0.19 -0.10 0.43 4.81 -1.26 -1.62 118.16 123.07 1ni2 n LYS 139 Ca -0.18 0.03 -0.22 0.00 -0.87 0.00 0.00 58.31 57.08 1ni2 n LYS 139 Cb 0.53 -1.60 -0.12 0.00 0.02 0.00 0.00 35.03 33.86 1ni2 n LYS 139 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1ni2 h GLU 140 N 0.00 0.00 0.08 1.64 5.08 -2.01 -3.39 114.58 115.98 1ni2 h GLU 140 Ca 0.00 -0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1ni2 h GLU 140 Cb 0.66 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.93 1ni2 h GLU 140 CO 0.00 1.00 -0.85 0.28 -1.00 0.00 0.00 179.01 178.44 1ni2 h VAL 141 N -1.00 1.42 -1.98 3.13 2.07 -1.99 -3.37 116.25 114.52 1ni2 h VAL 141 Ca -0.34 -2.34 -0.77 0.00 0.82 0.00 0.00 66.70 64.07 1ni2 h VAL 141 Cb 1.30 2.83 -0.19 0.00 -1.52 0.00 0.00 31.29 33.71 1ni2 h VAL 141 CO -0.21 0.68 1.55 1.41 0.02 0.00 0.00 177.57 181.03 1ni2 n HIS 142 N -4.07 3.27 -2.91 1.57 8.25 -0.64 -4.91 115.22 115.78 1ni2 n HIS 142 Ca -0.12 -2.91 -0.40 0.00 -0.26 0.00 0.00 57.72 54.03 1ni2 n HIS 142 Cb 0.81 -1.82 -0.05 0.00 1.12 0.00 0.00 29.99 30.05 1ni2 n HIS 142 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1ni2 s LYS 143 N -0.22 4.58 -0.12 -0.41 1.02 -1.26 -4.57 119.74 118.76 1ni2 s LYS 143 Ca 0.38 1.20 -0.11 0.00 0.02 0.00 0.00 55.97 57.46 1ni2 s LYS 143 Cb 0.05 -3.35 -0.05 0.00 -0.52 0.00 0.00 37.83 33.97 1ni2 s LYS 143 CO 0.02 0.33 0.48 -1.13 -0.92 0.00 0.00 175.35 174.13 1ni2 n SER 144 N 2.53 0.21 0.00 2.83 3.41 -1.26 -2.74 113.62 118.60 1ni2 n SER 144 Ca -0.02 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1ni2 n SER 144 Cb 0.50 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1ni2 n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ni2 n GLY 145 N 1.60 0.38 0.14 5.00 0.00 -1.26 -4.99 105.19 106.05 1ni2 n GLY 145 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.16 1ni2 n GLY 145 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1ni2 h TYR 146 N 0.00 0.00 -0.34 1.61 -0.00 -1.84 -2.66 116.97 113.74 1ni2 h TYR 146 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1ni2 h TYR 146 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 1ni2 h TYR 146 CO 0.00 0.54 0.00 1.28 -0.00 0.00 0.00 178.16 179.98 1ni2 n LEU 147 N -3.31 2.64 -0.29 0.10 4.77 -1.26 -4.34 117.00 115.30 1ni2 n LEU 147 Ca 0.01 -1.17 0.03 0.00 -0.03 0.00 0.00 56.01 54.85 1ni2 n LEU 147 Cb 0.71 -0.22 0.16 0.00 -2.33 0.00 0.00 43.42 41.75 1ni2 n LEU 147 CO 0.41 0.59 1.15 -1.28 -1.33 0.00 0.00 177.39 176.92 1ni2 h SER 148 N 3.32 0.69 0.74 -1.43 0.87 -1.87 -2.51 113.55 113.35 1ni2 h SER 148 Ca 0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1ni2 h SER 148 Cb 0.74 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1ni2 h SER 148 CO 0.00 0.40 -0.53 -1.54 -0.53 0.00 0.00 176.83 174.63 1ni2 n SER 149 N -4.73 0.57 -4.66 6.23 3.41 -1.26 -4.89 113.62 108.30 1ni2 n SER 149 Ca 0.13 0.01 -0.42 0.00 -0.26 0.00 0.00 58.87 58.33 1ni2 n SER 149 Cb 0.27 0.15 -0.04 0.00 -0.26 0.00 0.00 64.21 64.33 1ni2 n SER 149 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1ni2 s GLU 150 N -3.09 4.24 -0.67 4.33 2.56 -0.95 -5.00 118.70 120.12 1ni2 s GLU 150 Ca 0.09 1.06 -0.27 0.00 0.00 0.00 0.00 54.97 55.84 1ni2 s GLU 150 Cb 0.15 -3.62 0.02 0.00 2.00 0.00 0.00 34.13 32.69 1ni2 s GLU 150 CO 0.70 -0.47 1.35 -0.98 -0.56 0.00 0.00 175.26 175.30 1ni2 s ARG 151 N 2.65 3.21 -0.06 4.30 1.70 -1.26 -4.85 118.95 124.63 1ni2 s ARG 151 Ca 0.38 0.06 0.15 0.00 -0.47 0.00 0.00 55.73 55.85 1ni2 s ARG 151 Cb -0.16 -4.16 -0.22 0.00 -0.57 0.00 0.00 34.95 29.84 1ni2 s ARG 151 CO 0.09 -2.09 0.25 1.28 -1.08 0.00 0.00 175.30 173.75 1ni2 n LEU 152 N 9.60 0.00 -4.33 -1.89 4.77 -1.26 -4.99 117.00 118.90 1ni2 n LEU 152 Ca 0.07 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.74 1ni2 n LEU 152 Cb 0.49 0.12 -0.16 0.00 -2.33 0.00 0.00 43.42 41.54 1ni2 n LEU 152 CO 0.71 0.12 -0.54 -0.63 -1.33 0.00 0.00 177.39 175.72 1ni2 s ILE 153 N -2.84 2.32 0.51 -0.08 -1.09 -1.26 -4.66 121.20 114.09 1ni2 s ILE 153 Ca -0.06 -0.99 -0.23 0.00 -2.23 0.00 0.00 60.65 57.14 1ni2 s ILE 153 Cb 0.08 -1.85 -0.06 0.00 -1.58 0.00 0.00 42.46 39.05 1ni2 s ILE 153 CO 0.63 0.57 1.38 -2.16 -1.23 0.00 0.00 174.94 174.14 1ni2 s PRO 154 N -0.39 3.32 0.15 2.79 0.04 -1.26 -4.84 135.00 134.82 1ni2 s PRO 154 Ca 0.03 2.29 -0.17 0.00 0.04 0.00 0.00 61.00 63.20 1ni2 s PRO 154 Cb -0.12 -2.39 0.01 0.00 0.04 0.00 0.00 34.50 32.04 1ni2 s PRO 154 CO 0.02 -1.07 1.80 0.37 0.04 0.00 0.00 177.00 178.16 1ni2 h GLN 155 N 1.74 0.44 -0.17 4.56 5.75 -1.91 -1.65 115.11 123.88 1ni2 h GLN 155 Ca -0.51 -0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.01 1ni2 h GLN 155 Cb 1.29 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.73 1ni2 h GLN 155 CO 0.58 0.29 0.28 0.00 -2.65 0.00 0.00 178.83 177.33 1ni2 h ARG 156 N 0.45 0.00 0.21 1.69 3.08 -1.93 0.38 114.38 118.27 1ni2 h ARG 156 Ca 0.14 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.85 1ni2 h ARG 156 Cb -0.02 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.05 1ni2 h ARG 156 CO -0.05 0.00 -1.64 0.28 -1.07 0.00 0.00 179.97 177.49 1ni2 h VAL 157 N 0.00 1.08 -0.27 2.04 2.07 -1.66 -3.22 116.25 116.30 1ni2 h VAL 157 Ca 0.08 -2.60 -0.08 0.00 0.82 0.00 0.00 66.70 64.92 1ni2 h VAL 157 Cb 0.63 2.87 -0.01 0.00 -1.52 0.00 0.00 31.29 33.26 1ni2 h VAL 157 CO -0.00 0.84 -0.18 0.24 0.02 0.00 0.00 177.57 178.49 1ni2 h MET 158 N 0.12 0.47 -0.44 1.57 2.86 -0.18 -2.67 114.93 116.67 1ni2 h MET 158 Ca -0.31 -0.15 0.05 0.00 -2.06 0.00 0.00 59.70 57.24 1ni2 h MET 158 Cb 2.13 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 33.72 1ni2 h MET 158 CO 0.22 0.64 0.30 -0.44 1.06 0.00 0.00 176.91 178.68 1ni2 h ASP 159 N 0.43 0.33 0.00 1.22 5.19 -0.44 -2.93 116.42 120.22 1ni2 h ASP 159 Ca 0.07 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1ni2 h ASP 159 Cb 0.56 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.00 1ni2 h ASP 159 CO 0.04 0.22 -0.28 0.00 -3.12 0.00 0.00 179.24 176.09 1ni2 n GLN 160 N -4.48 1.56 -3.77 3.56 1.13 -1.02 -4.80 117.38 109.57 1ni2 n GLN 160 Ca 0.06 -1.25 -0.27 0.00 -1.94 0.00 0.00 57.00 53.60 1ni2 n GLN 160 Cb 0.23 -1.47 -0.17 0.00 0.11 0.00 0.00 30.24 28.94 1ni2 n GLN 160 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1ni2 s HIS 161 N -2.30 1.06 -0.65 1.08 3.76 -1.11 -5.08 115.29 112.06 1ni2 s HIS 161 Ca 0.23 -0.76 -0.26 0.00 -0.15 0.00 0.00 55.06 54.12 1ni2 s HIS 161 Cb 0.19 -1.03 -0.03 0.00 1.11 0.00 0.00 32.58 32.82 1ni2 s HIS 161 CO 0.47 -0.56 1.94 -1.59 -0.85 0.00 0.00 174.74 174.15 1ni2 s LYS 162 N 1.85 2.54 0.02 1.40 0.00 -1.26 -4.75 119.74 119.53 1ni2 s LYS 162 Ca 0.00 0.54 -0.05 0.00 0.00 0.00 0.00 55.97 56.46 1ni2 s LYS 162 Cb -0.16 -4.52 -0.01 0.00 0.00 0.00 0.00 37.83 33.14 1ni2 s LYS 162 CO -0.07 -2.93 0.09 -0.51 0.00 0.00 0.00 175.35 171.92 1ni2 s LEU 163 N 9.67 1.79 0.38 2.77 1.43 -1.26 -5.15 118.68 128.31 1ni2 s LEU 163 Ca 0.71 -0.38 -0.19 0.00 -1.03 0.00 0.00 54.13 53.24 1ni2 s LEU 163 Cb -0.12 0.52 -0.10 0.00 0.03 0.00 0.00 46.19 46.52 1ni2 s LEU 163 CO 0.17 -0.40 0.86 0.42 0.23 0.00 0.00 176.35 177.64 1ni2 s THR 164 N -1.78 4.49 0.54 5.49 -4.23 -1.26 -4.90 115.64 114.00 1ni2 s THR 164 Ca -0.12 1.30 0.29 0.00 -1.18 0.00 0.00 61.69 61.98 1ni2 s THR 164 Cb -0.06 -3.64 0.43 0.00 1.34 0.00 0.00 72.50 70.57 1ni2 s THR 164 CO -0.01 -0.23 1.94 0.03 -0.54 0.00 0.00 174.62 175.81 1ni2 h ARG 165 N 2.16 0.00 0.01 3.99 3.08 -2.01 0.99 114.38 122.60 1ni2 h ARG 165 Ca -0.48 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.37 1ni2 h ARG 165 Cb 1.18 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 1ni2 h ARG 165 CO 0.63 0.00 -0.92 0.22 -1.07 0.00 0.00 179.97 178.83 1ni2 h ASP 166 N 0.00 0.10 -0.07 7.04 -0.00 -1.99 -2.87 116.42 118.62 1ni2 h ASP 166 Ca 0.32 -0.09 0.02 0.00 -0.00 0.00 0.00 57.03 57.28 1ni2 h ASP 166 Cb 1.33 -0.03 -0.02 0.00 -0.00 0.00 0.00 39.33 40.61 1ni2 h ASP 166 CO -0.00 0.96 -0.03 -0.61 -0.00 0.00 0.00 179.24 179.56 1ni2 h GLN 167 N 0.03 -0.02 0.33 0.28 5.75 0.65 -2.30 115.11 119.82 1ni2 h GLN 167 Ca -0.03 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.46 1ni2 h GLN 167 Cb 1.60 0.01 0.00 0.00 1.07 0.00 0.00 27.48 30.16 1ni2 h GLN 167 CO 0.13 -0.01 -0.16 -1.49 -2.65 0.00 0.00 178.83 174.65 1ni2 h TRP 168 N -0.02 -0.41 -1.12 3.99 4.06 -1.46 -2.41 115.95 118.58 1ni2 h TRP 168 Ca 0.04 -0.01 0.43 0.00 2.06 0.00 0.00 58.89 61.41 1ni2 h TRP 168 Cb 0.08 0.13 -0.17 0.00 -1.00 0.00 0.00 29.16 28.21 1ni2 h TRP 168 CO -0.14 -0.14 0.65 0.93 -3.56 0.00 0.00 178.44 176.18 1ni2 h GLU 169 N -0.63 0.02 0.05 0.49 5.08 -1.35 0.74 114.58 118.98 1ni2 h GLU 169 Ca -0.04 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1ni2 h GLU 169 Cb 0.45 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1ni2 h GLU 169 CO 0.07 0.01 -0.02 -0.44 -1.00 0.00 0.00 179.01 177.63 1ni2 h ASP 170 N 0.02 -0.06 -0.93 1.42 3.32 -1.08 -1.44 116.42 117.68 1ni2 h ASP 170 Ca 0.85 -0.52 0.22 0.00 0.02 0.00 0.00 57.03 57.61 1ni2 h ASP 170 Cb 2.39 0.01 -0.12 0.00 0.22 0.00 0.00 39.33 41.84 1ni2 h ASP 170 CO -0.67 0.52 0.46 0.03 -1.72 0.00 0.00 179.24 177.86 1ni2 h ARG 171 N -0.66 0.46 -0.27 3.56 2.47 0.85 0.66 114.38 121.45 1ni2 h ARG 171 Ca -0.01 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.65 1ni2 h ARG 171 Cb 0.57 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.78 1ni2 h ARG 171 CO 0.01 0.30 0.01 0.82 0.56 0.00 0.00 179.97 181.68 1ni2 h ILE 172 N 0.47 1.25 -0.48 2.04 2.04 -0.75 -3.14 117.51 118.94 1ni2 h ILE 172 Ca 0.58 -0.88 0.10 0.00 1.00 0.00 0.00 64.86 65.65 1ni2 h ILE 172 Cb 1.08 1.30 -0.09 0.00 -0.74 0.00 0.00 36.82 38.38 1ni2 h ILE 172 CO -0.50 0.28 -0.08 1.56 0.00 0.00 0.00 178.15 179.41 1ni2 h GLN 173 N 0.26 0.04 -0.41 2.37 4.20 0.24 0.59 115.11 122.38 1ni2 h GLN 173 Ca 0.08 -0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.87 1ni2 h GLN 173 Cb 0.40 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.08 1ni2 h GLN 173 CO 0.01 0.02 -0.28 0.28 -0.67 0.00 0.00 178.83 178.20 1ni2 h VAL 174 N 0.04 0.29 -0.18 -0.54 2.07 -1.33 -1.08 116.25 115.51 1ni2 h VAL 174 Ca 0.24 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.67 1ni2 h VAL 174 Cb 0.36 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1ni2 h VAL 174 CO -0.47 0.00 -0.27 -0.50 0.02 0.00 0.00 177.57 176.36 1ni2 h TRP 175 N -0.20 0.39 0.19 1.57 4.06 -1.36 -3.06 115.95 117.52 1ni2 h TRP 175 Ca 0.19 -0.08 0.00 0.00 2.06 0.00 0.00 58.89 61.06 1ni2 h TRP 175 Cb 0.51 -0.10 -0.02 0.00 -1.00 0.00 0.00 29.16 28.55 1ni2 h TRP 175 CO -0.51 0.59 -0.19 1.25 -3.56 0.00 0.00 178.44 176.03 1ni2 h HIS 176 N 0.31 -0.49 -0.90 0.49 2.76 0.24 -2.70 115.15 114.86 1ni2 h HIS 176 Ca 0.05 0.00 0.25 0.00 -2.20 0.00 0.00 60.37 58.47 1ni2 h HIS 176 Cb 0.64 0.19 -0.04 0.00 1.55 0.00 0.00 27.41 29.75 1ni2 h HIS 176 CO 0.02 -0.28 0.64 0.00 -1.30 0.00 0.00 177.93 177.00 1ni2 h ALA 177 N 0.36 2.75 -0.32 5.26 0.00 -1.14 -2.23 119.26 123.94 1ni2 h ALA 177 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1ni2 h ALA 177 Cb 0.38 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1ni2 h ALA 177 CO -0.05 -1.01 0.11 0.93 0.00 0.00 0.00 179.25 179.23 1ni2 h GLU 178 N 0.06 0.49 -4.81 0.00 4.39 -1.50 -3.36 114.58 109.86 1ni2 h GLU 178 Ca 0.44 -0.10 -0.54 0.00 0.34 0.00 0.00 59.36 59.49 1ni2 h GLU 178 Cb 1.64 -0.07 0.04 0.00 -0.10 0.00 0.00 28.75 30.25 1ni2 h GLU 178 CO -0.04 0.52 1.80 0.72 -1.16 0.00 0.00 179.01 180.85 1ni2 n HIS 179 N -4.69 1.80 -2.01 4.33 8.25 -0.84 -4.91 115.22 117.14 1ni2 n HIS 179 Ca -0.02 -1.49 -0.42 0.00 -0.26 0.00 0.00 57.72 55.53 1ni2 n HIS 179 Cb 0.16 -1.83 -0.03 0.00 1.12 0.00 0.00 29.99 29.41 1ni2 n HIS 179 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1ni2 s ARG 180 N 5.74 4.20 -1.21 -0.41 1.70 -1.26 -3.30 118.95 124.41 1ni2 s ARG 180 Ca 0.62 2.20 -0.10 0.00 -0.47 0.00 0.00 55.73 57.98 1ni2 s ARG 180 Cb 0.10 -3.85 0.08 0.00 -0.57 0.00 0.00 34.95 30.71 1ni2 s ARG 180 CO 0.16 -0.79 0.43 0.41 -1.08 0.00 0.00 175.30 174.43 1ni2 n GLY 181 N 4.04 -0.48 3.69 3.88 0.00 -1.26 -4.89 105.19 110.17 1ni2 n GLY 181 Ca 0.16 0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1ni2 n GLY 181 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ni2 s MET 182 N -6.01 4.40 0.30 1.61 1.75 -1.21 -4.98 119.30 115.16 1ni2 s MET 182 Ca 0.39 1.45 -0.29 0.00 -1.25 0.00 0.00 55.69 55.99 1ni2 s MET 182 Cb -0.21 -3.55 -0.13 0.00 2.84 0.00 0.00 34.83 33.78 1ni2 s MET 182 CO 0.48 -0.36 1.34 1.28 -0.65 0.00 0.00 175.02 177.12 1ni2 n LEU 183 N 5.11 3.35 -0.33 4.11 4.77 -1.26 -4.73 117.00 128.02 1ni2 n LEU 183 Ca 0.09 1.18 0.08 0.00 -0.03 0.00 0.00 56.01 57.34 1ni2 n LEU 183 Cb 0.48 -1.46 0.25 0.00 -2.33 0.00 0.00 43.42 40.36 1ni2 n LEU 183 CO 0.53 -0.49 1.17 0.11 -1.33 0.00 0.00 177.39 177.38 1ni2 h LYS 184 N 3.30 0.77 0.00 3.23 1.57 -1.89 0.43 116.57 123.98 1ni2 h LYS 184 Ca -0.45 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.26 1ni2 h LYS 184 Cb 1.28 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.41 1ni2 h LYS 184 CO 0.69 0.51 -0.07 -0.44 -0.57 0.00 0.00 179.45 179.56 1ni2 h ASP 185 N 0.79 0.00 0.28 0.86 3.32 -1.92 -2.32 116.42 117.43 1ni2 h ASP 185 Ca 0.50 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 57.21 1ni2 h ASP 185 Cb 0.65 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.20 1ni2 h ASP 185 CO -0.33 0.07 -1.74 0.78 -1.72 0.00 0.00 179.24 176.31 1ni2 h ASN 186 N 0.00 0.47 -0.62 6.45 2.35 -0.68 -3.26 115.58 120.29 1ni2 h ASN 186 Ca -0.00 -0.76 0.09 0.00 -0.55 0.00 0.00 56.30 55.08 1ni2 h ASN 186 Cb 0.52 -0.15 -0.07 0.00 0.05 0.00 0.00 38.32 38.66 1ni2 h ASN 186 CO 0.01 1.65 0.24 0.00 -1.65 0.00 0.00 177.43 177.68 1ni2 h ALA 187 N 0.28 0.81 -0.80 -0.83 0.00 -0.22 -0.64 119.26 117.85 1ni2 h ALA 187 Ca -0.33 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1ni2 h ALA 187 Cb 2.06 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.86 1ni2 h ALA 187 CO 0.15 -0.18 0.41 0.52 0.00 0.00 0.00 179.25 180.15 1ni2 h MET 188 N 0.43 1.13 -0.13 0.00 2.86 -1.56 -2.21 114.93 115.46 1ni2 h MET 188 Ca 0.31 -0.14 -0.12 0.00 -2.06 0.00 0.00 59.70 57.69 1ni2 h MET 188 Cb 0.38 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1ni2 h MET 188 CO -0.30 0.85 -0.43 1.25 1.06 0.00 0.00 176.91 179.33 1ni2 h LEU 189 N 1.13 0.31 -0.32 1.22 5.85 -1.21 -2.28 115.31 120.02 1ni2 h LEU 189 Ca 0.28 -0.14 -0.15 0.00 0.84 0.00 0.00 57.88 58.71 1ni2 h LEU 189 Cb 0.07 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 1ni2 h LEU 189 CO -0.04 0.71 -0.38 -0.33 -0.34 0.00 0.00 178.44 178.07 1ni2 h GLU 190 N 0.25 0.81 -0.23 1.25 4.39 -0.96 0.31 114.58 120.41 1ni2 h GLU 190 Ca 0.02 -0.45 0.05 0.00 0.34 0.00 0.00 59.36 59.32 1ni2 h GLU 190 Cb 0.87 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.50 1ni2 h GLU 190 CO 0.07 1.09 -0.09 -0.92 -1.16 0.00 0.00 179.01 178.00 1ni2 h TYR 191 N 0.59 -0.20 0.00 4.33 3.20 -1.29 0.31 116.97 123.90 1ni2 h TYR 191 Ca 0.04 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 1ni2 h TYR 191 Cb 0.97 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.35 1ni2 h TYR 191 CO 0.07 -0.14 -0.30 -0.07 -1.64 0.00 0.00 178.16 176.08 1ni2 h LEU 192 N -0.05 0.00 -0.92 2.82 3.38 -1.20 0.13 115.31 119.46 1ni2 h LEU 192 Ca 0.12 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 1ni2 h LEU 192 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1ni2 h LEU 192 CO -0.26 0.30 -0.33 0.11 0.09 0.00 0.00 178.44 178.34 1ni2 h LYS 193 N 0.00 0.39 0.15 1.13 1.57 0.11 -2.33 116.57 117.59 1ni2 h LYS 193 Ca -0.00 -0.17 -0.24 0.00 -1.87 0.00 0.00 60.65 58.37 1ni2 h LYS 193 Cb 0.59 -0.01 0.02 0.00 0.08 0.00 0.00 32.23 32.91 1ni2 h LYS 193 CO 0.04 0.68 -1.13 0.82 -0.57 0.00 0.00 179.45 179.28 1ni2 h ILE 194 N 0.33 1.30 -0.94 1.86 2.04 -0.30 -3.34 117.51 118.46 1ni2 h ILE 194 Ca 0.04 -2.51 0.09 0.00 1.00 0.00 0.00 64.86 63.47 1ni2 h ILE 194 Cb 0.75 3.01 -0.07 0.00 -0.74 0.00 0.00 36.82 39.77 1ni2 h ILE 194 CO 0.06 0.73 0.61 0.00 0.00 0.00 0.00 178.15 179.55 1ni2 h ALA 195 N 0.05 1.53 -0.66 1.87 0.00 -0.80 -1.19 119.26 120.05 1ni2 h ALA 195 Ca -0.22 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 54.84 1ni2 h ALA 195 Cb 1.77 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 19.28 1ni2 h ALA 195 CO 0.14 0.29 0.46 0.37 0.00 0.00 0.00 179.25 180.50 1ni2 h GLN 196 N 1.01 0.21 -0.00 0.00 4.15 -1.54 -1.17 115.11 117.77 1ni2 h GLN 196 Ca 0.43 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.84 1ni2 h GLN 196 Cb 0.32 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.97 1ni2 h GLN 196 CO -0.19 0.14 -0.15 -0.25 -1.93 0.00 0.00 178.83 176.46 1ni2 n ASP 197 N -4.43 0.23 -4.77 -0.69 8.00 -0.45 -4.84 116.55 109.61 1ni2 n ASP 197 Ca 0.12 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.23 1ni2 n ASP 197 Cb 0.58 -0.20 -0.01 0.00 -0.02 0.00 0.00 41.12 41.48 1ni2 n ASP 197 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ni2 s LEU 198 N -2.83 4.25 0.48 0.64 1.43 -0.44 -4.91 118.68 117.29 1ni2 s LEU 198 Ca 0.18 2.68 0.15 0.00 -1.03 0.00 0.00 54.13 56.11 1ni2 s LEU 198 Cb 0.19 -3.85 1.15 0.00 0.03 0.00 0.00 46.19 43.70 1ni2 s LEU 198 CO 0.55 -0.81 2.07 -0.33 0.23 0.00 0.00 176.35 178.06 1ni2 h GLU 199 N 2.80 0.21 -0.69 1.70 5.08 -1.88 -2.38 114.58 119.42 1ni2 h GLU 199 Ca -0.50 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1ni2 h GLU 199 Cb 1.24 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1ni2 h GLU 199 CO 0.63 0.14 0.00 -1.33 -1.00 0.00 0.00 179.01 177.45 1ni2 n MET 200 N -4.48 3.04 -2.38 2.33 2.81 -1.26 -4.95 117.12 112.22 1ni2 n MET 200 Ca 0.03 -2.63 -0.41 0.00 -1.81 0.00 0.00 57.70 52.88 1ni2 n MET 200 Cb 0.22 -1.68 -0.03 0.00 -0.71 0.00 0.00 33.22 31.02 1ni2 n MET 200 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 1ni2 s TYR 201 N -1.37 3.43 -1.29 2.03 5.04 -0.90 -3.70 117.35 120.60 1ni2 s TYR 201 Ca 0.48 1.38 0.00 0.00 -2.44 0.00 0.00 57.07 56.49 1ni2 s TYR 201 Cb 0.28 -3.43 0.00 0.00 0.35 0.00 0.00 41.96 39.15 1ni2 s TYR 201 CO 0.29 -1.24 0.00 0.41 -1.34 0.00 0.00 175.55 173.67 1ni2 n GLY 202 N 2.50 0.82 3.33 8.97 0.00 -1.26 -5.01 105.19 114.54 1ni2 n GLY 202 Ca 0.06 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 1ni2 n GLY 202 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ni2 s ILE 203 N -2.54 2.28 -0.26 -0.61 1.01 -1.24 -4.39 121.20 115.45 1ni2 s ILE 203 Ca 0.00 -1.00 -0.09 0.00 0.00 0.00 0.00 60.65 59.56 1ni2 s ILE 203 Cb 0.00 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 1ni2 s ILE 203 CO 0.00 0.58 0.11 0.20 0.00 0.00 0.00 174.94 175.83 1ni2 s ASN 204 N -0.41 5.46 -0.06 3.58 0.01 -0.88 -4.92 114.94 117.71 1ni2 s ASN 204 Ca 0.04 -0.13 -0.05 0.00 -0.71 0.00 0.00 52.86 52.02 1ni2 s ASN 204 Cb -0.12 -1.99 -0.04 0.00 0.41 0.00 0.00 41.25 39.51 1ni2 s ASN 204 CO 0.01 -0.03 0.17 -0.31 -1.51 0.00 0.00 177.10 175.43 1ni2 s TYR 205 N 1.60 3.57 -0.01 2.20 1.51 -1.26 -1.56 117.35 123.41 1ni2 s TYR 205 Ca 0.06 0.44 -0.02 0.00 -1.01 0.00 0.00 57.07 56.55 1ni2 s TYR 205 Cb -0.15 -1.88 0.00 0.00 -0.11 0.00 0.00 41.96 39.81 1ni2 s TYR 205 CO 0.06 0.69 0.04 -0.06 -1.11 0.00 0.00 175.55 175.17 1ni2 s PHE 206 N -1.19 0.01 0.10 2.71 0.40 -0.46 -4.96 117.98 114.59 1ni2 s PHE 206 Ca 0.22 0.00 -0.29 0.00 -0.60 0.00 0.00 56.93 56.26 1ni2 s PHE 206 Cb -0.12 -0.02 -0.06 0.00 0.51 0.00 0.00 43.02 43.32 1ni2 s PHE 206 CO 0.12 -0.07 0.90 -1.21 0.70 0.00 0.00 175.22 175.66 1ni2 s GLU 207 N -0.34 4.65 0.28 0.44 2.02 -1.26 -1.08 118.70 123.41 1ni2 s GLU 207 Ca -0.04 1.34 0.04 0.00 0.02 0.00 0.00 54.97 56.33 1ni2 s GLU 207 Cb -0.03 -3.36 -0.01 0.00 0.10 0.00 0.00 34.13 30.83 1ni2 s GLU 207 CO -0.00 0.26 0.28 0.44 0.02 0.00 0.00 175.26 176.26 1ni2 n ILE 208 N 2.68 0.00 -3.78 -1.63 -5.35 0.39 -4.69 119.36 106.98 1ni2 n ILE 208 Ca 0.01 -1.83 -0.13 0.00 -0.27 0.00 0.00 62.75 60.53 1ni2 n ILE 208 Cb 0.49 0.97 -0.11 0.00 -1.74 0.00 0.00 39.64 39.25 1ni2 n ILE 208 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1ni2 s LYS 209 N -2.97 0.38 0.74 6.28 1.02 -0.80 -0.29 119.74 124.11 1ni2 s LYS 209 Ca 0.30 0.24 -0.03 0.00 0.02 0.00 0.00 55.97 56.50 1ni2 s LYS 209 Cb 0.01 0.18 0.13 0.00 -0.52 0.00 0.00 37.83 37.63 1ni2 s LYS 209 CO 0.21 -0.06 1.03 0.54 -0.92 0.00 0.00 175.35 176.15 1ni2 s ASN 210 N -0.18 4.26 0.25 2.83 2.20 -1.13 -0.27 114.94 122.90 1ni2 s ASN 210 Ca -0.03 -0.19 -0.04 0.00 -0.94 0.00 0.00 52.86 51.66 1ni2 s ASN 210 Cb -0.03 -0.19 0.46 0.00 -2.00 0.00 0.00 41.25 39.50 1ni2 s ASN 210 CO 0.01 -1.92 1.73 0.07 -2.94 0.00 0.00 177.10 174.04 1ni2 h LYS 211 N -0.65 0.42 0.00 3.55 2.10 -1.94 1.43 116.57 121.48 1ni2 h LYS 211 Ca -0.38 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 1ni2 h LYS 211 Cb 1.27 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1ni2 h LYS 211 CO 0.42 0.28 0.00 1.17 -2.00 0.00 0.00 179.45 179.32 1ni2 n LYS 212 N -5.01 0.32 -1.10 0.07 4.81 -1.26 -4.83 118.16 111.16 1ni2 n LYS 212 Ca 0.14 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.55 1ni2 n LYS 212 Cb 0.42 -1.40 -0.01 0.00 0.02 0.00 0.00 35.03 34.06 1ni2 n LYS 212 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ni2 n GLY 213 N -0.33 0.49 3.79 3.14 0.00 0.49 -5.01 105.19 107.75 1ni2 n GLY 213 Ca 0.06 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 1ni2 n GLY 213 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ni2 s THR 214 N -1.65 4.35 0.21 2.61 -4.23 -1.26 -4.70 115.64 110.97 1ni2 s THR 214 Ca 0.00 1.66 -0.31 0.00 -1.18 0.00 0.00 61.69 61.87 1ni2 s THR 214 Cb 0.00 -4.05 -0.10 0.00 1.34 0.00 0.00 72.50 69.69 1ni2 s THR 214 CO 0.00 0.34 1.48 -1.81 -0.54 0.00 0.00 174.62 174.09 1ni2 s ASP 215 N -1.41 6.65 0.18 3.99 1.01 -1.26 -2.83 116.67 123.00 1ni2 s ASP 215 Ca 0.42 2.61 -0.08 0.00 0.71 0.00 0.00 52.55 56.21 1ni2 s ASP 215 Cb -0.21 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.10 1ni2 s ASP 215 CO 0.25 -0.74 0.28 -0.76 0.21 0.00 0.00 175.17 174.41 1ni2 s LEU 216 N 0.30 0.95 -0.07 1.23 1.43 0.60 -3.68 118.68 119.44 1ni2 s LEU 216 Ca 0.64 -0.97 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1ni2 s LEU 216 Cb -0.42 1.11 -0.03 0.00 0.03 0.00 0.00 46.19 46.88 1ni2 s LEU 216 CO 0.38 -0.91 -0.05 0.26 0.23 0.00 0.00 176.35 176.26 1ni2 s TRP 217 N -4.00 3.00 -0.11 0.29 0.52 0.45 -0.46 118.94 118.62 1ni2 s TRP 217 Ca 0.21 0.07 -0.01 0.00 0.02 0.00 0.00 56.10 56.38 1ni2 s TRP 217 Cb 0.03 -1.72 -0.03 0.00 -1.15 0.00 0.00 33.47 30.61 1ni2 s TRP 217 CO 0.03 0.38 -0.06 -1.17 0.02 0.00 0.00 176.95 176.14 1ni2 s LEU 218 N -0.90 3.16 -0.09 2.99 2.96 -0.24 0.38 118.68 126.94 1ni2 s LEU 218 Ca 0.13 -0.10 0.04 0.00 -0.22 0.00 0.00 54.13 53.98 1ni2 s LEU 218 Cb -0.11 -1.72 0.00 0.00 0.50 0.00 0.00 46.19 44.86 1ni2 s LEU 218 CO 0.02 0.26 -0.22 -0.83 -1.32 0.00 0.00 176.35 174.27 1ni2 s GLY 219 N -0.19 1.21 -0.18 7.98 0.00 -0.15 -1.36 107.32 114.62 1ni2 s GLY 219 Ca 0.03 -0.86 -0.01 0.00 0.00 0.00 0.00 44.72 43.88 1ni2 s GLY 219 CO 0.03 -0.27 -0.12 0.14 0.00 0.00 0.00 173.10 172.87 1ni2 s VAL 220 N 0.35 2.81 0.14 1.40 1.01 -0.60 -1.37 120.40 124.14 1ni2 s VAL 220 Ca -0.16 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.14 1ni2 s VAL 220 Cb -0.17 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 1ni2 s VAL 220 CO 0.07 0.49 0.14 -0.90 0.00 0.00 0.00 175.10 174.90 1ni2 n ASP 221 N 4.40 -0.36 -0.03 3.32 5.68 -0.05 -2.08 116.55 127.43 1ni2 n ASP 221 Ca -0.19 -1.92 -0.01 0.00 -0.50 0.00 0.00 54.79 52.17 1ni2 n ASP 221 Cb 0.51 0.80 0.26 0.00 -1.14 0.00 0.00 41.12 41.55 1ni2 n ASP 221 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ni2 h ALA 222 N 1.51 1.31 0.00 2.12 0.00 -1.86 -2.93 119.26 119.40 1ni2 h ALA 222 Ca -0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1ni2 h ALA 222 Cb 0.51 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ni2 h ALA 222 CO 0.15 0.47 -0.03 -0.07 0.00 0.00 0.00 179.25 179.77 1ni2 h LEU 223 N 0.56 0.00 0.00 0.00 3.38 -1.95 -3.44 115.31 113.86 1ni2 h LEU 223 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1ni2 h LEU 223 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1ni2 h LEU 223 CO 0.01 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.18 1ni2 n GLY 224 N 1.09 -0.02 3.62 0.83 0.00 -1.11 -1.58 105.19 108.02 1ni2 n GLY 224 Ca 0.04 -1.07 -0.24 0.00 0.00 0.00 0.00 46.02 44.75 1ni2 n GLY 224 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ni2 s LEU 225 N 0.00 3.02 -0.02 0.99 1.43 -0.97 -0.87 118.68 122.25 1ni2 s LEU 225 Ca 0.00 -0.88 -0.14 0.00 -1.03 0.00 0.00 54.13 52.08 1ni2 s LEU 225 Cb 0.00 -1.46 0.02 0.00 0.03 0.00 0.00 46.19 44.78 1ni2 s LEU 225 CO 0.00 -0.14 0.30 0.20 0.23 0.00 0.00 176.35 176.95 1ni2 s ASN 226 N -3.69 -0.19 -0.11 2.29 0.01 -0.47 -1.71 114.94 111.07 1ni2 s ASN 226 Ca 0.33 0.12 0.01 0.00 -0.71 0.00 0.00 52.86 52.61 1ni2 s ASN 226 Cb -0.03 0.34 -0.02 0.00 0.41 0.00 0.00 41.25 41.95 1ni2 s ASN 226 CO 0.19 -0.42 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.60 1ni2 s ILE 227 N -1.21 3.05 0.19 0.60 -1.09 0.24 -0.98 121.20 121.99 1ni2 s ILE 227 Ca -0.13 -0.68 0.08 0.00 -2.23 0.00 0.00 60.65 57.69 1ni2 s ILE 227 Cb -0.05 -2.25 -0.04 0.00 -1.58 0.00 0.00 42.46 38.53 1ni2 s ILE 227 CO 0.04 0.54 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.83 1ni2 s TYR 228 N 0.03 1.68 0.16 3.97 1.51 0.16 0.15 117.35 125.01 1ni2 s TYR 228 Ca -0.05 -0.56 -0.27 0.00 -1.01 0.00 0.00 57.07 55.18 1ni2 s TYR 228 Cb -0.14 -0.80 -0.08 0.00 -0.11 0.00 0.00 41.96 40.83 1ni2 s TYR 228 CO 0.04 0.32 0.85 -1.21 -1.11 0.00 0.00 175.55 174.44 1ni2 s GLU 229 N -3.38 4.66 0.48 -0.62 2.02 -1.26 -0.41 118.70 120.19 1ni2 s GLU 229 Ca 0.19 1.28 0.38 0.00 0.02 0.00 0.00 54.97 56.84 1ni2 s GLU 229 Cb -0.02 -3.30 1.56 0.00 0.10 0.00 0.00 34.13 32.47 1ni2 s GLU 229 CO 0.06 0.47 1.60 -0.22 0.02 0.00 0.00 175.26 177.19 1ni2 h LYS 230 N 4.65 0.03 -0.44 1.61 1.63 -1.88 0.19 116.57 122.36 1ni2 h LYS 230 Ca -0.45 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 1ni2 h LYS 230 Cb 1.20 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 1ni2 h LYS 230 CO 0.68 0.02 0.00 -0.40 -3.45 0.00 0.00 179.45 176.30 1ni2 n ASP 231 N -4.43 2.68 -3.32 4.20 5.75 -1.26 -4.77 116.55 115.40 1ni2 n ASP 231 Ca 0.40 -1.95 -0.10 0.00 -0.01 0.00 0.00 54.79 53.13 1ni2 n ASP 231 Cb 1.66 -0.29 -0.07 0.00 -1.03 0.00 0.00 41.12 41.39 1ni2 n ASP 231 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1ni2 s ASP 232 N -1.16 0.55 0.00 -1.12 2.15 0.06 -4.97 116.67 112.17 1ni2 s ASP 232 Ca 0.35 -0.39 0.26 0.00 0.43 0.00 0.00 52.55 53.21 1ni2 s ASP 232 Cb 0.19 1.03 0.78 0.00 -0.30 0.00 0.00 42.92 44.61 1ni2 s ASP 232 CO 0.25 -0.35 1.58 0.29 -0.17 0.00 0.00 175.17 176.77 1ni2 n LYS 233 N 5.35 0.62 0.06 4.34 5.02 -1.26 -4.06 118.16 128.23 1ni2 n LYS 233 Ca -0.00 -0.34 -0.20 0.00 -2.02 0.00 0.00 58.31 55.75 1ni2 n LYS 233 Cb 0.49 -1.49 -0.14 0.00 -0.02 0.00 0.00 35.03 33.86 1ni2 n LYS 233 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1ni2 h LEU 234 N 0.83 0.52 -8.20 -0.35 4.07 -1.93 -3.45 115.31 106.80 1ni2 h LEU 234 Ca 0.00 -0.93 -0.67 0.00 0.08 0.00 0.00 57.88 56.35 1ni2 h LEU 234 Cb 0.48 -0.17 -0.31 0.00 1.08 0.00 0.00 40.66 41.75 1ni2 h LEU 234 CO 0.00 1.41 -0.73 -0.89 -1.08 0.00 0.00 178.44 177.16 1ni2 s THR 235 N -2.52 3.06 0.29 0.22 2.01 -1.26 -4.88 115.64 112.57 1ni2 s THR 235 Ca -0.13 -0.93 -0.30 0.00 0.31 0.00 0.00 61.69 60.64 1ni2 s THR 235 Cb 0.01 -2.55 -0.11 0.00 0.01 0.00 0.00 72.50 69.87 1ni2 s THR 235 CO 0.84 0.20 1.55 -2.84 -0.69 0.00 0.00 174.62 173.69 1ni2 s PRO 236 N 1.36 4.15 0.05 4.92 0.02 -1.26 -4.72 135.00 139.51 1ni2 s PRO 236 Ca 0.01 2.52 -0.14 0.00 0.02 0.00 0.00 61.00 63.40 1ni2 s PRO 236 Cb -0.16 -3.04 -0.32 0.00 0.02 0.00 0.00 34.50 31.00 1ni2 s PRO 236 CO -0.03 -0.58 1.06 -0.22 -0.33 0.00 0.00 177.00 176.90 1ni2 h LYS 237 N 4.74 0.56 -3.79 5.54 3.64 0.95 -3.46 116.57 124.74 1ni2 h LYS 237 Ca -0.47 -0.85 -0.26 0.00 -1.27 0.00 0.00 60.65 57.80 1ni2 h LYS 237 Cb 1.22 0.30 -0.29 0.00 -0.41 0.00 0.00 32.23 33.05 1ni2 h LYS 237 CO 0.78 1.40 -0.73 0.42 -2.27 0.00 0.00 179.45 179.05 1ni2 s ILE 238 N -2.79 0.07 -0.12 2.00 1.01 -1.02 -4.97 121.20 115.37 1ni2 s ILE 238 Ca -0.09 -0.00 0.02 0.00 0.00 0.00 0.00 60.65 60.58 1ni2 s ILE 238 Cb 0.05 -0.09 0.01 0.00 0.01 0.00 0.00 42.46 42.44 1ni2 s ILE 238 CO 0.94 0.04 -0.19 -0.83 0.00 0.00 0.00 174.94 174.89 1ni2 s GLY 239 N 0.18 1.22 -0.60 6.18 0.00 -1.26 -0.59 107.32 112.45 1ni2 s GLY 239 Ca -0.01 -0.93 0.04 0.00 0.00 0.00 0.00 44.72 43.81 1ni2 s GLY 239 CO -0.01 0.04 0.36 -1.36 0.00 0.00 0.00 173.10 172.14 1ni2 s PHE 240 N 0.83 3.34 0.80 1.90 0.40 -0.70 -5.03 117.98 119.53 1ni2 s PHE 240 Ca -0.08 -3.19 -0.14 0.00 -0.60 0.00 0.00 56.93 52.92 1ni2 s PHE 240 Cb -0.16 -2.83 0.04 0.00 0.51 0.00 0.00 43.02 40.58 1ni2 s PHE 240 CO -0.01 -0.69 0.88 -2.30 0.70 0.00 0.00 175.22 173.80 1ni2 n PRO 241 N 2.77 0.17 -0.11 0.24 -0.02 -1.26 -2.30 135.00 134.49 1ni2 n PRO 241 Ca 0.10 0.12 -0.06 0.00 -2.02 0.00 0.00 63.50 61.64 1ni2 n PRO 241 Cb 0.33 -2.17 0.02 0.00 -0.02 0.00 0.00 33.50 31.67 1ni2 n PRO 241 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 1ni2 h TRP 242 N -0.80 0.24 -0.88 6.00 -0.00 -1.64 -1.44 115.95 117.42 1ni2 h TRP 242 Ca -0.46 0.02 0.20 0.00 -0.00 0.00 0.00 58.89 58.65 1ni2 h TRP 242 Cb 1.31 -0.05 -0.11 0.00 -0.00 0.00 0.00 29.16 30.31 1ni2 h TRP 242 CO 0.41 0.10 0.41 0.66 -0.00 0.00 0.00 178.44 180.02 1ni2 h SER 243 N 0.29 0.40 -0.01 -3.49 4.64 -1.90 0.13 113.55 113.61 1ni2 h SER 243 Ca 0.17 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1ni2 h SER 243 Cb 0.14 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1ni2 h SER 243 CO -0.17 0.07 0.00 -0.62 -0.87 0.00 0.00 176.83 175.24 1ni2 n GLU 244 N -4.99 1.30 -3.90 4.77 1.02 -0.60 -4.79 120.64 113.45 1ni2 n GLU 244 Ca 0.21 -0.43 -0.35 0.00 -0.02 0.00 0.00 57.16 56.56 1ni2 n GLU 244 Cb 0.59 -1.48 -0.14 0.00 -0.02 0.00 0.00 31.44 30.38 1ni2 n GLU 244 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 1ni2 s ILE 245 N -2.00 3.34 -0.02 -3.67 2.07 0.47 -3.15 121.20 118.25 1ni2 s ILE 245 Ca 0.43 -0.64 -0.03 0.00 -1.41 0.00 0.00 60.65 59.00 1ni2 s ILE 245 Cb 0.21 -2.59 -0.02 0.00 0.13 0.00 0.00 42.46 40.20 1ni2 s ILE 245 CO 0.35 0.32 0.33 -0.09 -1.91 0.00 0.00 174.94 173.94 1ni2 h ARG 246 N 8.11 -0.11 -4.07 3.50 2.43 0.18 -3.47 114.38 120.95 1ni2 h ARG 246 Ca -0.38 0.01 -0.33 0.00 -0.81 0.00 0.00 59.98 58.46 1ni2 h ARG 246 Cb 1.14 0.02 -0.31 0.00 -0.42 0.00 0.00 29.97 30.41 1ni2 h ARG 246 CO 0.60 -0.07 -0.75 1.21 -1.51 0.00 0.00 179.97 179.44 1ni2 s ASN 247 N -3.42 0.54 -0.10 -3.80 3.84 -0.77 -4.98 114.94 106.25 1ni2 s ASN 247 Ca -0.02 -0.07 0.03 0.00 0.21 0.00 0.00 52.86 53.01 1ni2 s ASN 247 Cb 0.00 -0.15 -0.01 0.00 -0.55 0.00 0.00 41.25 40.54 1ni2 s ASN 247 CO 0.05 0.00 -0.21 -0.51 -2.79 0.00 0.00 177.10 173.64 1ni2 s ILE 248 N 0.31 2.32 -0.08 -5.21 1.10 -1.26 -0.18 121.20 118.21 1ni2 s ILE 248 Ca -0.03 -0.94 -0.30 0.00 -0.51 0.00 0.00 60.65 58.88 1ni2 s ILE 248 Cb -0.06 -1.90 0.11 0.00 0.15 0.00 0.00 42.46 40.75 1ni2 s ILE 248 CO -0.00 0.55 0.89 -0.94 -2.11 0.00 0.00 174.94 173.33 1ni2 s SER 249 N 0.23 -0.43 0.33 4.50 1.04 -1.09 -5.01 113.70 113.28 1ni2 s SER 249 Ca -0.14 0.31 0.07 0.00 0.48 0.00 0.00 55.95 56.67 1ni2 s SER 249 Cb -0.17 0.38 -0.07 0.00 0.10 0.00 0.00 66.02 66.27 1ni2 s SER 249 CO 0.07 -0.51 -0.03 0.72 0.98 0.00 0.00 173.24 174.47 1ni2 s PHE 250 N -1.90 2.18 0.00 5.02 -0.00 -1.26 -0.55 117.98 121.46 1ni2 s PHE 250 Ca -0.01 -0.70 0.00 0.00 -0.00 0.00 0.00 56.93 56.22 1ni2 s PHE 250 Cb -0.01 -1.35 0.00 0.00 -0.00 0.00 0.00 43.02 41.66 1ni2 s PHE 250 CO -0.01 0.33 0.00 -1.71 -0.00 0.00 0.00 175.22 173.83 1ni2 n ASN 251 N -0.74 0.00 -3.29 1.98 4.05 -1.10 -4.94 115.26 111.23 1ni2 n ASN 251 Ca -0.05 0.00 -0.21 0.00 0.45 0.00 0.00 54.58 54.77 1ni2 n ASN 251 Cb 0.65 -0.16 -0.08 0.00 1.23 0.00 0.00 39.78 41.42 1ni2 n ASN 251 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 1ni2 s ASP 252 N -4.04 1.06 0.00 1.20 1.01 -1.26 -4.82 116.67 109.82 1ni2 s ASP 252 Ca 0.00 -2.40 0.00 0.00 0.71 0.00 0.00 52.55 50.86 1ni2 s ASP 252 Cb 0.00 0.19 0.00 0.00 1.01 0.00 0.00 42.92 44.12 1ni2 s ASP 252 CO 0.00 -0.19 0.00 0.29 0.21 0.00 0.00 175.17 175.48 1ni2 n LYS 253 N 3.32 0.00 -3.45 8.23 5.02 -1.26 -4.92 118.16 125.09 1ni2 n LYS 253 Ca 0.22 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.09 1ni2 n LYS 253 Cb 0.47 -2.62 -0.03 0.00 -0.02 0.00 0.00 35.03 32.83 1ni2 n LYS 253 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1ni2 s LYS 254 N -0.14 3.76 0.54 1.97 2.20 -1.26 -3.34 119.74 123.47 1ni2 s LYS 254 Ca 0.00 -3.13 -0.17 0.00 -0.36 0.00 0.00 55.97 52.31 1ni2 s LYS 254 Cb 0.00 -4.31 -0.06 0.00 -1.51 0.00 0.00 37.83 31.95 1ni2 s LYS 254 CO 0.00 -1.25 1.03 -0.06 -0.36 0.00 0.00 175.35 174.71 1ni2 s PHE 255 N -1.08 3.10 -0.12 4.03 0.40 -0.68 -2.69 117.98 120.93 1ni2 s PHE 255 Ca 0.28 1.52 -0.06 0.00 -0.60 0.00 0.00 56.93 58.07 1ni2 s PHE 255 Cb -0.10 -2.97 0.05 0.00 0.51 0.00 0.00 43.02 40.51 1ni2 s PHE 255 CO -0.09 -0.85 0.27 0.08 0.70 0.00 0.00 175.22 175.33 1ni2 s VAL 256 N -2.35 -0.10 -0.24 -0.44 1.01 0.28 -2.72 120.40 115.85 1ni2 s VAL 256 Ca 0.64 0.16 -0.12 0.00 0.00 0.00 0.00 61.98 62.66 1ni2 s VAL 256 Cb -0.15 -0.42 -0.05 0.00 0.00 0.00 0.00 36.38 35.77 1ni2 s VAL 256 CO 0.30 0.07 0.23 -0.63 0.00 0.00 0.00 175.10 175.07 1ni2 s ILE 257 N 1.45 5.31 -0.20 2.22 1.01 -0.61 -2.67 121.20 127.69 1ni2 s ILE 257 Ca -0.08 0.32 -0.06 0.00 0.00 0.00 0.00 60.65 60.83 1ni2 s ILE 257 Cb -0.10 -3.57 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 1ni2 s ILE 257 CO -0.09 0.30 0.02 -0.54 0.00 0.00 0.00 174.94 174.63 1ni2 s LYS 258 N 1.28 3.67 0.44 2.79 3.01 0.75 -3.97 119.74 127.71 1ni2 s LYS 258 Ca 0.10 -0.49 -0.07 0.00 -1.01 0.00 0.00 55.97 54.51 1ni2 s LYS 258 Cb -0.14 -3.13 0.10 0.00 -1.01 0.00 0.00 37.83 33.65 1ni2 s LYS 258 CO 0.06 0.02 0.59 -2.30 0.51 0.00 0.00 175.35 174.24 1ni2 n PRO 259 N 4.23 -0.51 0.00 -1.68 -0.02 -1.26 0.18 135.00 135.94 1ni2 n PRO 259 Ca -0.17 -0.97 0.00 0.00 -2.02 0.00 0.00 63.50 60.34 1ni2 n PRO 259 Cb 0.52 -0.59 0.00 0.00 -0.02 0.00 0.00 33.50 33.40 1ni2 n PRO 259 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1ni2 n ILE 260 N -2.76 0.00 -2.40 4.25 2.08 -1.19 -3.72 119.36 115.62 1ni2 n ILE 260 Ca 0.08 0.39 -0.35 0.00 0.56 0.00 0.00 62.75 63.43 1ni2 n ILE 260 Cb 0.26 -1.39 -0.02 0.00 -0.75 0.00 0.00 39.64 37.75 1ni2 n ILE 260 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1ni2 s ASP 261 N -3.77 6.04 -0.12 4.38 2.15 -1.26 -5.01 116.67 119.08 1ni2 s ASP 261 Ca 0.00 2.06 -0.07 0.00 0.43 0.00 0.00 52.55 54.98 1ni2 s ASP 261 Cb 0.00 -2.57 -0.04 0.00 -0.30 0.00 0.00 42.92 40.01 1ni2 s ASP 261 CO 0.00 -0.99 0.12 -0.75 -0.17 0.00 0.00 175.17 173.38 1ni2 s LYS 262 N -3.23 3.42 0.00 4.34 2.47 -1.26 -4.59 119.74 120.89 1ni2 s LYS 262 Ca 0.70 -0.17 0.00 0.00 -1.56 0.00 0.00 55.97 54.94 1ni2 s LYS 262 Cb -0.20 -3.15 0.00 0.00 -1.46 0.00 0.00 37.83 33.01 1ni2 s LYS 262 CO 0.24 0.75 0.00 1.17 0.16 0.00 0.00 175.35 177.67 1ni2 n LYS 263 N 2.06 0.00 -1.54 4.03 0.00 -1.26 -5.11 118.16 116.34 1ni2 n LYS 263 Ca -0.20 0.00 -0.50 0.00 0.00 0.00 0.00 58.31 57.62 1ni2 n LYS 263 Cb 0.55 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.52 1ni2 n LYS 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ni2 n ALA 264 N 0.00 1.02 0.17 3.14 0.00 -1.26 -4.76 120.51 118.81 1ni2 n ALA 264 Ca 0.00 0.03 0.18 0.00 0.00 0.00 0.00 53.44 53.65 1ni2 n ALA 264 Cb 0.00 -2.56 0.80 0.00 0.00 0.00 0.00 19.45 17.69 1ni2 n ALA 264 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1ni2 h PRO 265 N 11.61 0.00 -0.06 0.00 0.11 -1.99 -3.47 132.00 138.20 1ni2 h PRO 265 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1ni2 h PRO 265 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1ni2 h PRO 265 CO 0.99 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.53 1ni2 n ASP 266 N -3.72 -0.88 -4.74 -2.05 8.00 -1.26 -5.05 116.55 106.84 1ni2 n ASP 266 Ca 0.04 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.13 1ni2 n ASP 266 Cb 0.45 0.33 -0.05 0.00 -0.02 0.00 0.00 41.12 41.82 1ni2 n ASP 266 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1ni2 s PHE 267 N -0.38 3.78 -0.17 1.24 5.36 -1.25 -4.94 117.98 121.62 1ni2 s PHE 267 Ca 0.00 1.78 -0.05 0.00 -0.96 0.00 0.00 56.93 57.70 1ni2 s PHE 267 Cb 0.00 -3.12 0.06 0.00 -0.34 0.00 0.00 43.02 39.62 1ni2 s PHE 267 CO 0.00 -0.03 0.10 0.08 -1.46 0.00 0.00 175.22 173.91 1ni2 s VAL 268 N -0.69 -0.12 0.43 3.12 1.01 -1.26 -1.58 120.40 121.32 1ni2 s VAL 268 Ca 0.45 -0.15 0.06 0.00 0.00 0.00 0.00 61.98 62.34 1ni2 s VAL 268 Cb -0.27 -0.58 -0.06 0.00 0.00 0.00 0.00 36.38 35.47 1ni2 s VAL 268 CO 0.34 -0.27 0.07 0.72 0.00 0.00 0.00 175.10 175.96 1ni2 s PHE 269 N 2.16 2.40 -0.02 5.22 -0.12 -1.10 -3.53 117.98 122.99 1ni2 s PHE 269 Ca 0.03 -0.70 0.02 0.00 -0.05 0.00 0.00 56.93 56.22 1ni2 s PHE 269 Cb -0.16 -1.80 0.01 0.00 -0.63 0.00 0.00 43.02 40.43 1ni2 s PHE 269 CO -0.09 0.31 -0.05 0.71 -0.05 0.00 0.00 175.22 176.05 1ni2 s TYR 270 N -2.71 0.61 0.02 3.49 2.02 0.63 -1.69 117.35 119.71 1ni2 s TYR 270 Ca 0.32 -0.13 0.06 0.00 -0.37 0.00 0.00 57.07 56.95 1ni2 s TYR 270 Cb 0.07 -0.46 -0.02 0.00 -0.40 0.00 0.00 41.96 41.14 1ni2 s TYR 270 CO 0.17 -0.07 -0.19 0.00 -1.57 0.00 0.00 175.55 173.88 1ni2 s ALA 271 N 0.26 1.59 0.00 3.71 0.00 -1.21 -1.90 121.76 124.20 1ni2 s ALA 271 Ca -0.03 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.02 1ni2 s ALA 271 Cb -0.07 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.70 1ni2 s ALA 271 CO -0.00 0.37 0.00 -2.30 0.00 0.00 0.00 175.76 173.82 1ni2 n PRO 272 N 2.22 0.00 -1.48 0.00 -0.02 -1.26 -4.71 135.00 129.74 1ni2 n PRO 272 Ca -0.16 0.00 -0.47 0.00 -2.02 0.00 0.00 63.50 60.85 1ni2 n PRO 272 Cb 0.54 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.99 1ni2 n PRO 272 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ni2 n ARG 273 N 0.00 0.57 0.18 -0.52 1.74 -1.26 -4.86 116.66 112.51 1ni2 n ARG 273 Ca 0.00 0.20 0.12 0.00 -0.77 0.00 0.00 57.85 57.40 1ni2 n ARG 273 Cb 0.00 -1.38 0.26 0.00 -1.02 0.00 0.00 32.46 30.32 1ni2 n ARG 273 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1ni2 h LEU 274 N 1.56 0.00 -0.36 0.55 5.85 -2.00 -3.21 115.31 117.70 1ni2 h LEU 274 Ca -0.34 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.40 1ni2 h LEU 274 Cb 1.40 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.40 1ni2 h LEU 274 CO 0.59 0.00 0.21 -0.09 -0.34 0.00 0.00 178.44 178.81 1ni2 h ARG 275 N 0.00 0.41 0.92 1.25 2.43 -2.00 -2.80 114.38 114.59 1ni2 h ARG 275 Ca 0.00 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1ni2 h ARG 275 Cb 0.90 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 30.37 1ni2 h ARG 275 CO 0.00 0.27 -0.44 0.82 -1.51 0.00 0.00 179.97 179.11 1ni2 h ILE 276 N 0.42 0.00 0.00 1.20 2.04 -1.93 -2.81 117.51 116.42 1ni2 h ILE 276 Ca 0.14 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.97 1ni2 h ILE 276 Cb 0.01 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.09 1ni2 h ILE 276 CO -0.07 0.00 0.42 0.78 0.00 0.00 0.00 178.15 179.27 1ni2 h ASN 277 N -1.27 0.00 0.15 1.72 2.35 -1.57 0.31 115.58 117.27 1ni2 h ASN 277 Ca -0.13 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.39 1ni2 h ASN 277 Cb 0.95 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.34 1ni2 h ASN 277 CO 0.21 0.00 -1.07 0.11 -1.65 0.00 0.00 177.43 175.02 1ni2 h LYS 278 N 0.00 0.32 -0.37 0.81 1.57 -1.23 -3.20 116.57 114.48 1ni2 h LYS 278 Ca 0.00 -0.55 -0.10 0.00 -1.87 0.00 0.00 60.65 58.12 1ni2 h LYS 278 Cb 0.83 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 1ni2 h LYS 278 CO 0.00 1.27 -0.18 -0.09 -0.57 0.00 0.00 179.45 179.88 1ni2 h ARG 279 N -0.27 0.77 -0.66 3.15 2.43 -0.39 -2.91 114.38 116.50 1ni2 h ARG 279 Ca -0.20 -0.34 0.13 0.00 -0.81 0.00 0.00 59.98 58.76 1ni2 h ARG 279 Cb 1.76 -0.02 -0.13 0.00 -0.42 0.00 0.00 29.97 31.16 1ni2 h ARG 279 CO 0.15 0.95 -0.16 0.82 -1.51 0.00 0.00 179.97 180.22 1ni2 h ILE 280 N 0.56 0.34 -0.69 1.20 2.04 -1.38 0.40 117.51 119.98 1ni2 h ILE 280 Ca 0.08 -0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.88 1ni2 h ILE 280 Cb 0.73 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 1ni2 h ILE 280 CO 0.05 0.00 0.20 0.25 0.00 0.00 0.00 178.15 178.65 1ni2 h LEU 281 N 0.00 1.02 -0.83 1.44 5.85 -1.52 -1.62 115.31 119.66 1ni2 h LEU 281 Ca 0.32 -0.22 -0.12 0.00 0.84 0.00 0.00 57.88 58.70 1ni2 h LEU 281 Cb 0.49 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1ni2 h LEU 281 CO -0.68 0.97 -0.50 0.06 -0.34 0.00 0.00 178.44 177.96 1ni2 h GLN 282 N 1.02 0.21 -0.44 1.25 3.07 -1.11 -1.47 115.11 117.65 1ni2 h GLN 282 Ca 0.22 -0.12 -0.07 0.00 0.09 0.00 0.00 58.65 58.77 1ni2 h GLN 282 Cb 0.33 0.01 -0.02 0.00 0.08 0.00 0.00 27.48 27.88 1ni2 h GLN 282 CO -0.00 0.67 -0.01 -0.07 0.09 0.00 0.00 178.83 179.50 1ni2 h LEU 283 N 0.17 0.77 0.08 0.06 3.38 -0.57 -0.70 115.31 118.49 1ni2 h LEU 283 Ca 0.01 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 1ni2 h LEU 283 Cb 0.94 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1ni2 h LEU 283 CO 0.08 0.90 -0.04 0.00 0.09 0.00 0.00 178.44 179.47 1ni2 h MET 285 N -0.18 -0.27 -0.37 0.00 2.86 -1.17 0.55 114.93 116.35 1ni2 h MET 285 Ca -0.01 0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1ni2 h MET 285 Cb 0.15 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 1ni2 h MET 285 CO 0.02 -0.18 0.11 0.78 1.06 0.00 0.00 176.91 178.70 1ni2 h GLY 286 N -0.28 0.63 0.91 8.32 0.00 -1.07 -1.75 103.07 109.83 1ni2 h GLY 286 Ca 0.11 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1ni2 h GLY 286 CO -0.31 0.35 0.11 3.43 0.00 0.00 0.00 176.54 180.12 1ni2 h ASN 287 N 0.46 0.33 -0.69 0.19 2.35 -0.87 -1.25 115.58 116.10 1ni2 h ASN 287 Ca 0.12 -0.15 0.07 0.00 -0.55 0.00 0.00 56.30 55.79 1ni2 h ASN 287 Cb 0.27 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.51 1ni2 h ASN 287 CO -0.00 0.39 0.45 -0.74 -1.65 0.00 0.00 177.43 175.88 1ni2 h HIS 288 N 0.25 0.69 0.03 1.19 2.76 0.23 -0.82 115.15 119.47 1ni2 h HIS 288 Ca 0.08 0.02 -0.24 0.00 -2.20 0.00 0.00 60.37 58.04 1ni2 h HIS 288 Cb 0.15 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 28.86 1ni2 h HIS 288 CO -0.01 0.36 -1.15 1.49 -1.30 0.00 0.00 177.93 177.31 1ni2 h GLU 289 N 0.67 0.06 0.00 5.26 4.81 -1.08 -2.70 114.58 121.60 1ni2 h GLU 289 Ca 0.30 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 59.32 1ni2 h GLU 289 Cb 0.32 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1ni2 h GLU 289 CO -0.10 0.98 -0.52 -0.07 -0.73 0.00 0.00 179.01 178.58 1ni2 h LEU 290 N 0.02 0.00 0.68 1.64 3.38 -0.82 -2.77 115.31 117.43 1ni2 h LEU 290 Ca -0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1ni2 h LEU 290 Cb 1.85 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.60 1ni2 h LEU 290 CO 0.14 0.52 -0.33 0.22 0.09 0.00 0.00 178.44 179.08 1ni2 h TYR 291 N 0.00 -0.84 -0.78 1.13 3.20 -1.12 -3.03 116.97 115.52 1ni2 h TYR 291 Ca -0.01 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.94 1ni2 h TYR 291 Cb 1.14 0.28 -0.05 0.00 1.54 0.00 0.00 36.73 39.64 1ni2 h TYR 291 CO 0.00 -0.51 0.51 0.52 -1.64 0.00 0.00 178.16 177.04 1ni2 h MET 292 N -0.96 0.70 0.36 1.82 2.86 -1.43 -2.99 114.93 115.29 1ni2 h MET 292 Ca -0.09 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.49 1ni2 h MET 292 Cb 0.71 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.22 1ni2 h MET 292 CO 0.15 0.46 -0.17 0.00 1.06 0.00 0.00 176.91 178.41 1ni2 h ARG 293 N 0.72 -0.47 0.00 1.72 3.08 -1.38 -2.16 114.38 115.89 1ni2 h ARG 293 Ca 0.36 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.44 1ni2 h ARG 293 Cb 0.43 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1ni2 h ARG 293 CO -0.13 -0.27 0.26 0.54 -1.07 0.00 0.00 179.97 179.29 1ni2 n ARG 294 N -5.27 0.06 -0.27 0.04 1.74 -1.13 -2.05 116.66 109.78 1ni2 n ARG 294 Ca -0.10 0.47 0.08 0.00 -0.77 0.00 0.00 57.85 57.53 1ni2 n ARG 294 Cb 0.23 -1.94 0.17 0.00 -1.02 0.00 0.00 32.46 29.89 1ni2 n ARG 294 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1ni2 n ARG 295 N -1.76 1.41 -2.37 5.56 1.74 -0.82 -5.06 116.66 115.36 1ni2 n ARG 295 Ca -0.01 -2.85 -0.42 0.00 -0.77 0.00 0.00 57.85 53.81 1ni2 n ARG 295 Cb 0.28 -1.55 -0.03 0.00 -1.02 0.00 0.00 32.46 30.14 1ni2 n ARG 295 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1ni2 s LYS 296 N -3.01 4.45 0.00 5.56 -0.14 -0.87 -5.06 119.74 120.67 1ni2 s LYS 296 Ca 0.34 1.86 0.32 0.00 -1.36 0.00 0.00 55.97 57.14 1ni2 s LYS 296 Cb 0.31 -3.28 1.91 0.00 -1.68 0.00 0.00 37.83 35.10 1ni2 s LYS 296 CO -0.01 -0.18 2.23 -0.35 -0.76 0.00 0.00 175.35 176.28