#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 1.72 -2.24 -0.52 4.81 -1.26 -4.92 118.16 115.75 1ni2 n LYS 3 Ca 0.00 0.54 -0.36 0.00 -0.87 0.00 0.00 58.31 57.62 1ni2 n LYS 3 Cb 0.00 -2.77 0.00 0.00 0.02 0.00 0.00 35.03 32.29 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 5.56 3.43 -0.23 1.64 0.04 -1.26 -4.45 135.00 139.73 1ni2 s PRO 4 Ca 1.01 1.68 -0.05 0.00 0.04 0.00 0.00 61.00 63.68 1ni2 s PRO 4 Cb -0.64 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 31.78 1ni2 s PRO 4 CO 0.46 -0.80 0.01 0.42 0.04 0.00 0.00 177.00 177.12 1ni2 s ILE 5 N -1.69 3.80 0.30 0.56 1.01 -0.28 -4.93 121.20 119.97 1ni2 s ILE 5 Ca 0.71 -0.34 -0.28 0.00 0.00 0.00 0.00 60.65 60.73 1ni2 s ILE 5 Cb -0.26 -2.76 -0.09 0.00 0.01 0.00 0.00 42.46 39.36 1ni2 s ILE 5 CO 0.30 0.39 1.02 0.20 0.00 0.00 0.00 174.94 176.84 1ni2 s ASN 6 N 1.54 7.27 0.03 3.58 0.02 -1.26 -1.22 114.94 124.89 1ni2 s ASN 6 Ca 0.06 2.07 -0.06 0.00 -1.02 0.00 0.00 52.86 53.91 1ni2 s ASN 6 Cb -0.15 -2.61 -0.01 0.00 0.02 0.00 0.00 41.25 38.51 1ni2 s ASN 6 CO -0.00 -0.12 0.11 0.68 0.02 0.00 0.00 177.10 177.78 1ni2 s VAL 7 N -1.35 0.11 -0.02 1.60 -7.23 -0.00 -1.46 120.40 112.05 1ni2 s VAL 7 Ca 0.47 -0.94 0.05 0.00 -1.81 0.00 0.00 61.98 59.75 1ni2 s VAL 7 Cb -0.26 -0.71 -0.01 0.00 0.56 0.00 0.00 36.38 35.96 1ni2 s VAL 7 CO 0.33 -0.52 -0.15 -0.60 -0.31 0.00 0.00 175.10 173.85 1ni2 s ARG 8 N -2.14 1.36 -0.07 4.82 3.52 0.07 -1.50 118.95 125.01 1ni2 s ARG 8 Ca -0.09 -0.55 0.01 0.00 -0.13 0.00 0.00 55.73 54.97 1ni2 s ARG 8 Cb -0.04 -1.27 0.02 0.00 -1.56 0.00 0.00 34.95 32.10 1ni2 s ARG 8 CO -0.02 0.30 -0.08 0.08 -0.81 0.00 0.00 175.30 174.77 1ni2 s VAL 9 N -0.23 0.83 0.12 7.11 1.01 0.23 -1.03 120.40 128.44 1ni2 s VAL 9 Ca 0.03 -0.27 0.10 0.00 0.00 0.00 0.00 61.98 61.84 1ni2 s VAL 9 Cb -0.07 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 1ni2 s VAL 9 CO 0.00 0.30 -0.22 0.42 0.00 0.00 0.00 175.10 175.60 1ni2 s THR 10 N 1.02 2.57 0.37 3.92 -4.23 0.13 -0.28 115.64 119.13 1ni2 s THR 10 Ca -0.09 -1.59 0.02 0.00 -1.18 0.00 0.00 61.69 58.86 1ni2 s THR 10 Cb -0.14 -2.15 0.02 0.00 1.34 0.00 0.00 72.50 71.56 1ni2 s THR 10 CO -0.00 0.12 0.18 0.35 -0.54 0.00 0.00 174.62 174.73 1ni2 n THR 11 N 0.92 0.00 0.34 3.99 -2.24 -0.40 0.56 114.28 117.46 1ni2 n THR 11 Ca -0.17 -1.56 0.21 0.00 -2.27 0.00 0.00 64.05 60.26 1ni2 n THR 11 Cb 0.53 0.01 1.12 0.00 -2.10 0.00 0.00 70.33 69.89 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 -3.20 114.93 111.90 1ni2 h MET 12 Ca -0.26 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.36 1ni2 h MET 12 Cb 0.88 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.49 1ni2 h MET 12 CO 0.42 0.00 -0.48 -0.40 1.06 0.00 0.00 176.91 177.51 1ni2 n ASP 13 N -3.04 0.09 -3.73 1.22 5.75 -1.26 -5.02 116.55 110.56 1ni2 n ASP 13 Ca -0.03 -1.85 -0.12 0.00 -0.01 0.00 0.00 54.79 52.78 1ni2 n ASP 13 Cb 0.15 -0.17 -0.07 0.00 -1.03 0.00 0.00 41.12 40.00 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 -0.82 -0.15 2.12 0.00 -1.21 -5.14 121.76 116.55 1ni2 s ALA 14 Ca 0.04 0.20 -0.00 0.00 0.00 0.00 0.00 51.96 52.20 1ni2 s ALA 14 Cb 0.04 0.26 -0.01 0.00 0.00 0.00 0.00 23.12 23.41 1ni2 s ALA 14 CO -0.02 -0.38 -0.14 -1.21 0.00 0.00 0.00 175.76 174.01 1ni2 s GLU 15 N -2.18 3.29 -0.07 0.00 2.02 -1.26 -1.27 118.70 119.22 1ni2 s GLU 15 Ca -0.07 -0.72 0.02 0.00 0.02 0.00 0.00 54.97 54.22 1ni2 s GLU 15 Cb -0.02 -2.66 0.01 0.00 0.10 0.00 0.00 34.13 31.56 1ni2 s GLU 15 CO -0.01 0.07 -0.14 -0.51 0.02 0.00 0.00 175.26 174.70 1ni2 s LEU 16 N 0.70 1.68 0.07 1.80 1.43 0.61 -4.98 118.68 120.00 1ni2 s LEU 16 Ca -0.06 -0.34 0.07 0.00 -1.03 0.00 0.00 54.13 52.78 1ni2 s LEU 16 Cb -0.15 -0.91 -0.03 0.00 0.03 0.00 0.00 46.19 45.13 1ni2 s LEU 16 CO 0.02 0.04 -0.20 -1.61 0.23 0.00 0.00 176.35 174.83 1ni2 s GLU 17 N 0.68 1.20 -0.05 1.70 2.02 -1.26 0.74 118.70 123.74 1ni2 s GLU 17 Ca -0.14 -1.04 -0.31 0.00 0.02 0.00 0.00 54.97 53.50 1ni2 s GLU 17 Cb -0.16 -1.38 0.13 0.00 0.10 0.00 0.00 34.13 32.82 1ni2 s GLU 17 CO 0.04 0.33 1.35 -0.59 0.02 0.00 0.00 175.26 176.41 1ni2 s PHE 18 N -1.01 -0.02 -0.08 1.61 -0.71 -0.56 -5.01 117.98 112.20 1ni2 s PHE 18 Ca 0.06 -0.04 -0.01 0.00 -1.04 0.00 0.00 56.93 55.90 1ni2 s PHE 18 Cb -0.09 0.53 -0.03 0.00 -1.21 0.00 0.00 43.02 42.21 1ni2 s PHE 18 CO 0.03 -0.17 -0.01 0.00 -1.34 0.00 0.00 175.22 173.73 1ni2 s ALA 19 N -2.24 3.23 0.47 1.99 0.00 -1.26 -0.82 121.76 123.13 1ni2 s ALA 19 Ca 0.16 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.31 1ni2 s ALA 19 Cb 0.06 -1.43 -0.03 0.00 0.00 0.00 0.00 23.12 21.72 1ni2 s ALA 19 CO -0.05 0.59 0.03 0.96 0.00 0.00 0.00 175.76 177.29 1ni2 s ILE 20 N -0.88 1.15 0.15 0.00 -4.36 -0.36 -4.90 121.20 112.00 1ni2 s ILE 20 Ca 0.13 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.60 1ni2 s ILE 20 Cb -0.11 -2.33 -0.04 0.00 1.25 0.00 0.00 42.46 41.22 1ni2 s ILE 20 CO 0.03 0.00 -0.07 -1.10 0.24 0.00 0.00 174.94 174.03 1ni2 s GLN 21 N -3.82 2.17 0.47 0.37 -1.52 -1.26 -1.13 119.66 114.94 1ni2 s GLN 21 Ca 0.14 -1.13 0.11 0.00 -1.95 0.00 0.00 55.36 52.53 1ni2 s GLN 21 Cb 0.03 -2.27 0.58 0.00 -0.22 0.00 0.00 33.01 31.13 1ni2 s GLN 21 CO 0.08 0.47 1.23 -1.35 -0.25 0.00 0.00 175.29 175.46 1ni2 h PRO 22 N 3.12 0.00 -0.20 2.91 0.11 -1.93 0.72 132.00 136.74 1ni2 h PRO 22 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ni2 h PRO 22 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1ni2 h PRO 22 CO 0.54 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.60 1ni2 n ASN 23 N -2.24 2.54 -4.76 -2.05 2.04 -1.26 -4.55 115.26 104.98 1ni2 n ASN 23 Ca -0.01 -1.75 -0.41 0.00 -0.44 0.00 0.00 54.58 51.97 1ni2 n ASN 23 Cb 0.58 -0.12 -0.03 0.00 -2.53 0.00 0.00 39.78 37.68 1ni2 n ASN 23 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 1ni2 s THR 24 N -1.04 2.92 0.38 5.53 2.01 0.25 -4.91 115.64 120.78 1ni2 s THR 24 Ca 0.21 0.88 0.03 0.00 0.31 0.00 0.00 61.69 63.12 1ni2 s THR 24 Cb 0.12 -3.56 -0.01 0.00 0.01 0.00 0.00 72.50 69.06 1ni2 s THR 24 CO 0.17 0.19 0.56 0.42 -0.69 0.00 0.00 174.62 175.27 1ni2 s THR 25 N -0.83 4.19 0.18 -0.82 -4.23 -1.26 -1.97 115.64 110.89 1ni2 s THR 25 Ca 0.50 -0.74 -0.13 0.00 -1.18 0.00 0.00 61.69 60.15 1ni2 s THR 25 Cb -0.38 -3.50 0.09 0.00 1.34 0.00 0.00 72.50 70.05 1ni2 s THR 25 CO 0.48 -0.27 1.80 1.23 -0.54 0.00 0.00 174.62 177.32 1ni2 h GLY 26 N 0.68 0.77 0.22 3.99 0.00 -1.43 -0.07 103.07 107.24 1ni2 h GLY 26 Ca -0.47 -0.22 0.11 0.00 0.00 0.00 0.00 47.33 46.76 1ni2 h GLY 26 CO 0.56 0.16 0.14 1.70 0.00 0.00 0.00 176.54 179.10 1ni2 h LYS 27 N 0.59 0.27 -0.57 4.80 3.11 -1.44 2.44 116.57 125.77 1ni2 h LYS 27 Ca 0.23 -0.02 -0.04 0.00 -2.81 0.00 0.00 60.65 58.02 1ni2 h LYS 27 Cb 0.09 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.24 1ni2 h LYS 27 CO -0.13 0.18 0.22 1.96 -2.81 0.00 0.00 179.45 178.86 1ni2 h GLN 28 N 0.28 0.86 -0.05 1.90 4.20 -1.65 0.51 115.11 121.16 1ni2 h GLN 28 Ca 0.31 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 1ni2 h GLN 28 Cb 0.45 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 1ni2 h GLN 28 CO -0.38 0.75 0.01 1.25 -0.67 0.00 0.00 178.83 179.78 1ni2 h LEU 29 N 0.78 0.07 -0.43 1.46 5.85 0.97 -1.61 115.31 122.40 1ni2 h LEU 29 Ca 0.19 -0.22 0.08 0.00 0.84 0.00 0.00 57.88 58.77 1ni2 h LEU 29 Cb 0.22 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.15 1ni2 h LEU 29 CO -0.01 0.27 -0.05 0.15 -0.34 0.00 0.00 178.44 178.45 1ni2 h PHE 30 N -0.14 -0.13 -0.54 1.25 3.57 0.44 -1.96 116.94 119.43 1ni2 h PHE 30 Ca 0.01 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1ni2 h PHE 30 Cb 0.23 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.06 1ni2 h PHE 30 CO 0.00 -0.14 0.36 -0.44 -2.23 0.00 0.00 178.31 175.86 1ni2 h ASP 31 N 0.05 0.62 -0.64 0.41 3.45 0.20 -1.39 116.42 119.12 1ni2 h ASP 31 Ca 0.21 -0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.64 1ni2 h ASP 31 Cb 0.32 -0.15 -0.03 0.00 -0.56 0.00 0.00 39.33 38.91 1ni2 h ASP 31 CO -0.40 0.45 0.32 -0.61 -1.57 0.00 0.00 179.24 177.43 1ni2 h GLN 32 N 0.73 0.91 0.13 3.56 4.15 -0.76 -1.69 115.11 122.15 1ni2 h GLN 32 Ca 0.20 -0.13 0.01 0.00 0.77 0.00 0.00 58.65 59.50 1ni2 h GLN 32 Cb -0.08 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.42 1ni2 h GLN 32 CO -0.05 0.72 -0.16 0.28 -1.93 0.00 0.00 178.83 177.69 1ni2 h VAL 33 N 0.88 0.64 -0.49 2.39 2.07 -1.05 -1.65 116.25 119.05 1ni2 h VAL 33 Ca 0.22 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.64 1ni2 h VAL 33 Cb 0.09 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1ni2 h VAL 33 CO -0.03 0.00 -0.09 -0.37 0.02 0.00 0.00 177.57 177.10 1ni2 h VAL 34 N -0.33 1.26 -0.46 2.57 -1.51 -1.05 -2.71 116.25 114.02 1ni2 h VAL 34 Ca 0.01 -1.19 -0.06 0.00 -1.23 0.00 0.00 66.70 64.23 1ni2 h VAL 34 Cb 0.33 0.99 -0.02 0.00 -2.13 0.00 0.00 31.29 30.45 1ni2 h VAL 34 CO -0.06 0.41 0.03 0.11 -1.23 0.00 0.00 177.57 176.83 1ni2 h LYS 35 N 0.80 0.73 -0.68 5.19 1.57 -1.24 0.68 116.57 123.63 1ni2 h LYS 35 Ca 0.13 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1ni2 h LYS 35 Cb 0.61 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 1ni2 h LYS 35 CO 0.04 0.73 0.35 1.15 -0.57 0.00 0.00 179.45 181.14 1ni2 h THR 36 N 0.70 1.21 -0.02 -0.16 2.02 -0.99 -2.61 112.91 113.05 1ni2 h THR 36 Ca 0.14 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.76 1ni2 h THR 36 Cb 0.38 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1ni2 h THR 36 CO 0.01 0.24 -0.24 2.30 0.37 0.00 0.00 175.52 178.21 1ni2 n ILE 37 N -4.36 0.00 -2.22 3.11 -5.35 -1.00 -4.96 119.36 104.58 1ni2 n ILE 37 Ca 0.07 -0.31 -0.07 0.00 -0.27 0.00 0.00 62.75 62.16 1ni2 n ILE 37 Cb 0.11 1.09 -0.00 0.00 -1.74 0.00 0.00 39.64 39.11 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 1.35 0.11 3.73 3.28 0.00 0.13 -5.02 105.19 108.76 1ni2 n GLY 38 Ca 0.12 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.21 4.18 -0.00 0.99 0.20 -0.56 -4.97 118.68 116.31 1ni2 s LEU 39 Ca 0.02 0.22 0.02 0.00 0.69 0.00 0.00 54.13 55.08 1ni2 s LEU 39 Cb -0.01 -2.08 -0.02 0.00 -0.43 0.00 0.00 46.19 43.65 1ni2 s LEU 39 CO 0.03 0.19 0.07 0.54 -0.29 0.00 0.00 176.35 176.88 1ni2 n ARG 40 N 3.47 4.71 -2.03 1.98 1.74 -1.26 -4.54 116.66 120.72 1ni2 n ARG 40 Ca -0.16 -0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.50 1ni2 n ARG 40 Cb 0.52 -0.71 -0.00 0.00 -1.02 0.00 0.00 32.46 31.25 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 -1.18 3.49 0.09 5.56 1.02 -1.26 -4.70 120.64 123.65 1ni2 n GLU 41 Ca 0.00 -3.13 0.12 0.00 -0.02 0.00 0.00 57.16 54.12 1ni2 n GLU 41 Cb 0.03 -3.00 0.45 0.00 -0.02 0.00 0.00 31.44 28.91 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 3.73 0.71 0.32 2.62 0.24 -1.26 -3.71 118.33 120.98 1ni2 n VAL 42 Ca 0.49 0.08 0.12 0.00 -2.04 0.00 0.00 64.34 62.98 1ni2 n VAL 42 Cb 0.35 -0.91 0.54 0.00 -1.47 0.00 0.00 33.84 32.35 1ni2 n VAL 42 CO 0.00 0.00 0.00 4.11 -2.14 0.00 0.00 176.83 178.80 1ni2 h TRP 43 N 0.00 0.00 0.00 6.34 0.09 -2.01 -2.87 115.95 117.50 1ni2 h TRP 43 Ca 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 58.89 58.76 1ni2 h TRP 43 Cb 0.45 0.00 -0.04 0.00 0.08 0.00 0.00 29.16 29.66 1ni2 h TRP 43 CO 0.00 0.00 -1.47 1.88 0.09 0.00 0.00 178.44 178.94 1ni2 h TYR 44 N 0.00 0.00 -1.84 0.12 -1.99 -1.86 -3.45 116.97 107.95 1ni2 h TYR 44 Ca 0.00 0.00 -0.43 0.00 2.00 0.00 0.00 58.73 60.30 1ni2 h TYR 44 Cb 0.26 0.00 0.03 0.00 2.00 0.00 0.00 36.73 39.02 1ni2 h TYR 44 CO 0.00 0.76 -0.15 -0.06 -0.00 0.00 0.00 178.16 178.71 1ni2 s PHE 45 N -2.79 2.70 0.35 4.88 0.40 -1.08 0.16 117.98 122.60 1ni2 s PHE 45 Ca -0.03 -0.26 -0.13 0.00 -0.60 0.00 0.00 56.93 55.91 1ni2 s PHE 45 Cb 0.08 -2.54 0.03 0.00 0.51 0.00 0.00 43.02 41.11 1ni2 s PHE 45 CO 0.81 -0.69 0.68 0.20 0.70 0.00 0.00 175.22 176.93 1ni2 s GLY 46 N -4.41 0.62 -0.13 4.36 0.00 -0.54 -4.74 107.32 102.47 1ni2 s GLY 46 Ca 0.57 -0.91 0.03 0.00 0.00 0.00 0.00 44.72 44.40 1ni2 s GLY 46 CO 0.36 -0.48 -0.22 1.08 0.00 0.00 0.00 173.10 173.84 1ni2 s LEU 47 N -3.09 2.13 0.23 0.66 1.43 -1.26 -1.91 118.68 116.86 1ni2 s LEU 47 Ca 0.19 -0.59 0.11 0.00 -1.03 0.00 0.00 54.13 52.81 1ni2 s LEU 47 Cb -0.04 -1.45 -0.05 0.00 0.03 0.00 0.00 46.19 44.69 1ni2 s LEU 47 CO 0.13 0.09 -0.20 -1.38 0.23 0.00 0.00 176.35 175.23 1ni2 s HIS 48 N 0.74 2.12 0.30 0.29 -3.43 0.87 -0.01 115.29 116.17 1ni2 s HIS 48 Ca -0.09 -0.40 -0.06 0.00 -0.80 0.00 0.00 55.06 53.71 1ni2 s HIS 48 Cb -0.16 -0.97 -0.00 0.00 -1.43 0.00 0.00 32.58 30.01 1ni2 s HIS 48 CO -0.00 0.55 0.45 1.52 -2.00 0.00 0.00 174.74 175.26 1ni2 s TYR 49 N -2.34 0.81 -0.23 0.38 1.13 0.29 -1.01 117.35 116.38 1ni2 s TYR 49 Ca 0.24 -1.10 -0.10 0.00 -1.41 0.00 0.00 57.07 54.71 1ni2 s TYR 49 Cb -0.05 -0.01 -0.05 0.00 -1.10 0.00 0.00 41.96 40.76 1ni2 s TYR 49 CO 0.11 -1.06 0.14 0.08 -2.51 0.00 0.00 175.55 172.31 1ni2 s VAL 50 N -3.45 5.19 0.73 -3.49 1.01 -1.26 -0.10 120.40 119.04 1ni2 s VAL 50 Ca 0.28 0.12 -0.11 0.00 0.00 0.00 0.00 61.98 62.27 1ni2 s VAL 50 Cb 0.00 -3.41 0.03 0.00 0.00 0.00 0.00 36.38 33.01 1ni2 s VAL 50 CO 0.15 0.37 1.08 1.51 0.00 0.00 0.00 175.10 178.21 1ni2 s ASP 51 N 0.95 5.06 0.55 3.32 1.47 0.12 -1.57 116.67 126.57 1ni2 s ASP 51 Ca 0.07 1.46 0.06 0.00 1.18 0.00 0.00 52.55 55.32 1ni2 s ASP 51 Cb -0.13 -2.29 0.33 0.00 -0.34 0.00 0.00 42.92 40.49 1ni2 s ASP 51 CO 0.03 -1.63 1.12 -0.55 0.68 0.00 0.00 175.17 174.82 1ni2 h ASN 52 N -0.85 0.00 0.14 2.11 -1.07 -1.11 1.61 115.58 116.41 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 1.23 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.48 1ni2 h ASN 52 CO 0.58 0.00 -0.44 0.29 0.07 0.00 0.00 177.43 177.93 1ni2 n LYS 53 N -2.34 0.82 -1.02 4.14 5.02 -1.26 -4.93 118.16 118.58 1ni2 n LYS 53 Ca -0.00 -0.59 0.00 0.00 -2.02 0.00 0.00 58.31 55.70 1ni2 n LYS 53 Cb 0.78 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.30 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 1.40 1.17 3.26 0.72 0.00 0.55 -5.09 105.19 107.20 1ni2 n GLY 54 Ca 0.10 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.06 2.53 0.15 1.61 0.40 -1.21 -4.82 117.98 114.58 1ni2 s PHE 55 Ca 0.00 -0.86 -0.33 0.00 -0.60 0.00 0.00 56.93 55.13 1ni2 s PHE 55 Cb 0.00 -1.67 -0.16 0.00 0.51 0.00 0.00 43.02 41.70 1ni2 s PHE 55 CO 0.00 -0.30 1.18 -0.35 0.70 0.00 0.00 175.22 176.44 1ni2 n PRO 56 N 3.24 1.11 -3.65 0.24 -0.04 -1.26 -0.70 135.00 133.94 1ni2 n PRO 56 Ca -0.18 0.40 -0.14 0.00 -0.04 0.00 0.00 63.50 63.53 1ni2 n PRO 56 Cb 0.52 -1.91 -0.08 0.00 -0.04 0.00 0.00 33.50 32.00 1ni2 n PRO 56 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1ni2 s THR 57 N -0.10 0.00 -0.01 0.52 2.01 0.86 -4.85 115.64 114.08 1ni2 s THR 57 Ca 0.75 -0.01 -0.14 0.00 0.31 0.00 0.00 61.69 62.61 1ni2 s THR 57 Cb -0.88 -0.90 -0.06 0.00 0.01 0.00 0.00 72.50 70.67 1ni2 s THR 57 CO 0.52 -0.00 0.39 0.26 -0.69 0.00 0.00 174.62 175.09 1ni2 s TRP 58 N 0.23 3.72 -0.01 4.92 0.52 -1.26 0.10 118.94 127.16 1ni2 s TRP 58 Ca -0.01 0.96 -0.30 0.00 0.02 0.00 0.00 56.10 56.77 1ni2 s TRP 58 Cb -0.04 -2.26 -0.03 0.00 -1.15 0.00 0.00 33.47 29.99 1ni2 s TRP 58 CO 0.01 0.65 1.00 -1.17 0.02 0.00 0.00 176.95 177.46 1ni2 s LEU 59 N -1.10 4.36 0.24 2.99 2.96 0.99 -4.92 118.68 124.20 1ni2 s LEU 59 Ca 0.23 1.67 -0.30 0.00 -0.22 0.00 0.00 54.13 55.52 1ni2 s LEU 59 Cb -0.16 -3.57 -0.09 0.00 0.50 0.00 0.00 46.19 42.87 1ni2 s LEU 59 CO 0.13 -0.29 1.11 -0.54 -1.32 0.00 0.00 176.35 175.44 1ni2 s LYS 60 N 1.10 4.61 0.14 1.98 1.02 -1.26 -4.72 119.74 122.61 1ni2 s LYS 60 Ca 0.52 1.78 0.23 0.00 0.02 0.00 0.00 55.97 58.52 1ni2 s LYS 60 Cb -0.21 -3.22 0.05 0.00 -0.52 0.00 0.00 37.83 33.92 1ni2 s LYS 60 CO 0.27 0.14 1.04 1.28 -0.92 0.00 0.00 175.35 177.17 1ni2 n LEU 61 N 1.68 0.70 0.05 3.17 4.32 -1.26 -3.62 117.00 122.05 1ni2 n LEU 61 Ca 0.01 0.21 0.11 0.00 -0.02 0.00 0.00 56.01 56.32 1ni2 n LEU 61 Cb 0.45 -0.09 0.01 0.00 -1.62 0.00 0.00 43.42 42.17 1ni2 n LEU 61 CO 0.54 -0.10 -0.05 -0.90 -1.22 0.00 0.00 177.39 175.66 1ni2 n ASP 62 N -2.39 0.63 -4.93 -1.43 5.75 -1.26 -1.39 116.55 111.53 1ni2 n ASP 62 Ca 0.01 0.05 -0.21 0.00 -0.01 0.00 0.00 54.79 54.63 1ni2 n ASP 62 Cb 0.51 0.75 -0.02 0.00 -1.03 0.00 0.00 41.12 41.32 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 -3.30 3.22 0.20 0.11 1.02 -1.25 -4.90 119.74 114.83 1ni2 s LYS 63 Ca 0.01 -0.91 -0.30 0.00 0.02 0.00 0.00 55.97 54.79 1ni2 s LYS 63 Cb 0.12 -2.77 -0.08 0.00 -0.52 0.00 0.00 37.83 34.58 1ni2 s LYS 63 CO 0.80 0.34 1.12 0.15 -0.92 0.00 0.00 175.35 176.84 1ni2 s LYS 64 N -3.98 4.59 0.22 1.68 1.02 -1.26 -1.85 119.74 120.16 1ni2 s LYS 64 Ca 0.36 1.76 -0.10 0.00 0.02 0.00 0.00 55.97 58.01 1ni2 s LYS 64 Cb -0.09 -3.25 0.34 0.00 -0.52 0.00 0.00 37.83 34.30 1ni2 s LYS 64 CO 0.28 0.07 1.65 0.28 -0.92 0.00 0.00 175.35 176.72 1ni2 h VAL 65 N 3.61 0.44 -0.01 3.17 2.07 -1.68 0.21 116.25 124.06 1ni2 h VAL 65 Ca -0.45 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 1ni2 h VAL 65 Cb 1.21 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1ni2 h VAL 65 CO 0.72 0.02 -0.04 0.77 0.02 0.00 0.00 177.57 179.06 1ni2 h SER 66 N 0.11 0.01 0.00 0.57 4.64 -1.80 -2.53 113.55 114.54 1ni2 h SER 66 Ca 0.35 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1ni2 h SER 66 Cb 0.58 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1ni2 h SER 66 CO -0.57 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 175.43 1ni2 n ALA 67 N -2.53 2.05 -2.72 5.18 0.00 0.72 -4.63 120.51 118.59 1ni2 n ALA 67 Ca -0.03 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.23 1ni2 n ALA 67 Cb 0.13 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.78 0.78 0.00 0.00 -0.21 -0.96 -4.92 119.66 112.58 1ni2 s GLN 68 Ca 0.00 -0.83 -0.03 0.00 0.02 0.00 0.00 55.36 54.53 1ni2 s GLN 68 Cb 0.00 -0.74 -0.13 0.00 1.00 0.00 0.00 33.01 33.13 1ni2 s GLN 68 CO 0.00 0.17 2.48 0.39 -2.12 0.00 0.00 175.29 176.21 1ni2 n GLU 69 N 1.57 1.30 -1.68 2.91 1.02 -1.26 -4.93 120.64 119.57 1ni2 n GLU 69 Ca -0.20 -0.49 -0.46 0.00 -0.02 0.00 0.00 57.16 55.99 1ni2 n GLU 69 Cb 0.55 -1.58 -0.04 0.00 -0.02 0.00 0.00 31.44 30.34 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 2.20 0.13 -1.54 2.62 0.31 -1.26 -0.63 118.33 120.16 1ni2 n VAL 70 Ca 0.21 -0.02 -0.60 0.00 -0.01 0.00 0.00 64.34 63.92 1ni2 n VAL 70 Cb 0.61 -1.67 -0.09 0.00 -0.91 0.00 0.00 33.84 31.79 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 4.18 0.00 -2.35 5.55 0.63 -0.61 -4.56 116.66 119.50 1ni2 n ARG 71 Ca 0.18 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.68 1ni2 n ARG 71 Cb 0.30 -1.38 -0.02 0.00 0.45 0.00 0.00 32.46 31.81 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 1.92 4.25 0.05 -0.14 2.20 -1.26 -4.80 119.74 121.96 1ni2 s LYS 72 Ca 0.93 1.77 -0.28 0.00 -0.36 0.00 0.00 55.97 58.03 1ni2 s LYS 72 Cb -1.31 -3.73 0.10 0.00 -1.51 0.00 0.00 37.83 31.38 1ni2 s LYS 72 CO 0.68 -0.66 1.18 -1.83 -0.36 0.00 0.00 175.35 174.36 1ni2 s GLU 73 N 3.18 0.69 -0.16 4.03 -1.05 -1.26 -5.10 118.70 119.03 1ni2 s GLU 73 Ca 0.58 -0.39 -0.02 0.00 -0.15 0.00 0.00 54.97 54.99 1ni2 s GLU 73 Cb -0.25 0.23 0.05 0.00 -0.44 0.00 0.00 34.13 33.71 1ni2 s GLU 73 CO 0.19 -0.32 0.01 1.21 0.95 0.00 0.00 175.26 177.30 1ni2 s ASN 74 N -3.08 2.55 0.88 0.83 3.84 -1.26 -3.40 114.94 115.30 1ni2 s ASN 74 Ca 0.16 -0.60 -0.10 0.00 0.21 0.00 0.00 52.86 52.52 1ni2 s ASN 74 Cb 0.02 -0.63 0.18 0.00 -0.55 0.00 0.00 41.25 40.26 1ni2 s ASN 74 CO -0.01 -0.25 1.21 -2.16 -2.79 0.00 0.00 177.10 173.10 1ni2 s PRO 75 N 1.83 1.00 0.52 0.43 0.04 -1.26 -5.12 135.00 132.43 1ni2 s PRO 75 Ca 0.01 -0.68 -0.19 0.00 0.04 0.00 0.00 61.00 60.18 1ni2 s PRO 75 Cb -0.15 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.29 1ni2 s PRO 75 CO -0.07 -2.08 1.06 -0.51 0.04 0.00 0.00 177.00 175.44 1ni2 s LEU 76 N -5.62 3.77 -0.17 -3.56 1.43 -0.54 -4.82 118.68 109.17 1ni2 s LEU 76 Ca 0.71 1.97 -0.03 0.00 -1.03 0.00 0.00 54.13 55.76 1ni2 s LEU 76 Cb -0.04 -4.56 -0.02 0.00 0.03 0.00 0.00 46.19 41.60 1ni2 s LEU 76 CO 0.50 -0.95 -0.07 -1.10 0.23 0.00 0.00 176.35 174.97 1ni2 s GLN 77 N -3.37 3.49 0.04 1.70 -1.52 -1.26 -0.75 119.66 117.99 1ni2 s GLN 77 Ca 0.68 -0.61 0.04 0.00 -1.95 0.00 0.00 55.36 53.53 1ni2 s GLN 77 Cb -0.18 -2.86 -0.02 0.00 -0.22 0.00 0.00 33.01 29.73 1ni2 s GLN 77 CO 0.24 0.09 -0.13 -0.06 -0.25 0.00 0.00 175.29 175.19 1ni2 s PHE 78 N 0.71 1.09 -0.13 0.91 0.40 -0.20 -4.56 117.98 116.20 1ni2 s PHE 78 Ca -0.03 -0.37 0.03 0.00 -0.60 0.00 0.00 56.93 55.95 1ni2 s PHE 78 Cb -0.15 -0.64 0.01 0.00 0.51 0.00 0.00 43.02 42.75 1ni2 s PHE 78 CO 0.02 0.02 -0.21 0.15 0.70 0.00 0.00 175.22 175.90 1ni2 s LYS 79 N -1.20 2.86 -0.40 0.44 1.02 -0.18 -0.70 119.74 121.58 1ni2 s LYS 79 Ca -0.01 -0.80 -0.19 0.00 0.02 0.00 0.00 55.97 55.00 1ni2 s LYS 79 Cb -0.08 -2.30 0.01 0.00 -0.52 0.00 0.00 37.83 34.94 1ni2 s LYS 79 CO 0.01 0.00 0.55 0.12 -0.92 0.00 0.00 175.35 175.11 1ni2 s PHE 80 N 0.79 3.13 0.18 3.18 5.36 0.19 -0.09 117.98 130.73 1ni2 s PHE 80 Ca -0.09 -0.03 0.00 0.00 -0.96 0.00 0.00 56.93 55.86 1ni2 s PHE 80 Cb -0.16 -3.08 -0.04 0.00 -0.34 0.00 0.00 43.02 39.40 1ni2 s PHE 80 CO -0.00 -0.70 0.07 1.03 -1.46 0.00 0.00 175.22 174.15 1ni2 s ARG 81 N 2.50 1.13 0.02 10.12 1.81 -0.80 -4.29 118.95 129.44 1ni2 s ARG 81 Ca 0.19 -1.57 -0.30 0.00 -1.72 0.00 0.00 55.73 52.33 1ni2 s ARG 81 Cb -0.15 0.02 -0.04 0.00 -0.45 0.00 0.00 34.95 34.33 1ni2 s ARG 81 CO 0.16 -0.26 1.00 0.00 -0.68 0.00 0.00 175.30 175.51 1ni2 s ALA 82 N -3.91 3.19 -0.13 2.13 0.00 -1.26 -1.46 121.76 120.31 1ni2 s ALA 82 Ca 0.30 0.57 0.17 0.00 0.00 0.00 0.00 51.96 53.00 1ni2 s ALA 82 Cb 0.07 -3.34 -0.24 0.00 0.00 0.00 0.00 23.12 19.61 1ni2 s ALA 82 CO 0.07 -0.23 0.16 1.17 0.00 0.00 0.00 175.76 176.94 1ni2 n LYS 83 N 3.77 0.95 -4.44 0.00 4.81 0.12 -4.91 118.16 118.46 1ni2 n LYS 83 Ca 0.06 -0.06 -0.23 0.00 -0.87 0.00 0.00 58.31 57.21 1ni2 n LYS 83 Cb 0.50 -1.46 -0.13 0.00 0.02 0.00 0.00 35.03 33.96 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 -2.69 1.62 0.02 5.64 0.40 -0.84 -5.06 117.98 117.07 1ni2 s PHE 84 Ca -0.08 -0.39 0.03 0.00 -0.60 0.00 0.00 56.93 55.89 1ni2 s PHE 84 Cb 0.07 -0.94 -0.04 0.00 0.51 0.00 0.00 43.02 42.63 1ni2 s PHE 84 CO 0.75 0.11 -0.05 0.71 0.70 0.00 0.00 175.22 177.44 1ni2 s TYR 85 N -0.94 2.93 0.83 0.36 1.51 -1.26 -4.77 117.35 116.00 1ni2 s TYR 85 Ca 0.05 -0.02 -0.11 0.00 -1.01 0.00 0.00 57.07 55.98 1ni2 s TYR 85 Cb -0.09 -1.60 0.09 0.00 -0.11 0.00 0.00 41.96 40.25 1ni2 s TYR 85 CO 0.02 0.41 1.09 -2.14 -1.11 0.00 0.00 175.55 173.83 1ni2 s PRO 86 N -1.61 1.83 0.16 -1.71 0.02 -1.26 -4.74 135.00 127.70 1ni2 s PRO 86 Ca 0.19 0.76 0.06 0.00 0.02 0.00 0.00 61.00 62.03 1ni2 s PRO 86 Cb -0.11 -1.88 -0.03 0.00 0.02 0.00 0.00 34.50 32.50 1ni2 s PRO 86 CO 0.10 -1.82 1.37 0.93 -0.33 0.00 0.00 177.00 177.25 1ni2 h GLU 87 N -1.24 0.07 -2.62 5.54 5.08 -1.98 -3.42 114.58 116.01 1ni2 h GLU 87 Ca -0.47 -0.08 -0.39 0.00 -1.00 0.00 0.00 59.36 57.41 1ni2 h GLU 87 Cb 1.27 0.03 -0.37 0.00 0.50 0.00 0.00 28.75 30.17 1ni2 h GLU 87 CO 0.57 0.91 -0.68 0.34 -1.00 0.00 0.00 179.01 179.15 1ni2 s ASP 88 N -6.83 2.00 0.23 1.42 2.15 -1.26 -5.02 116.67 109.36 1ni2 s ASP 88 Ca -0.01 -0.57 -0.07 0.00 0.43 0.00 0.00 52.55 52.33 1ni2 s ASP 88 Cb 0.10 0.15 0.31 0.00 -0.30 0.00 0.00 42.92 43.18 1ni2 s ASP 88 CO 0.81 -0.36 1.83 0.58 -0.17 0.00 0.00 175.17 177.86 1ni2 h VAL 89 N 6.34 1.00 -0.66 1.11 2.07 -1.92 -1.13 116.25 123.06 1ni2 h VAL 89 Ca -0.16 -0.29 0.07 0.00 0.82 0.00 0.00 66.70 67.13 1ni2 h VAL 89 Cb 1.12 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 1ni2 h VAL 89 CO 0.32 0.15 0.44 0.00 0.02 0.00 0.00 177.57 178.50 1ni2 h ALA 90 N 1.39 1.80 0.00 1.67 0.00 -1.92 -2.71 119.26 119.48 1ni2 h ALA 90 Ca 0.35 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.18 1ni2 h ALA 90 Cb 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1ni2 h ALA 90 CO -0.18 0.09 -0.56 0.93 0.00 0.00 0.00 179.25 179.53 1ni2 h GLU 91 N 0.63 0.00 0.39 0.00 5.08 -1.87 -3.44 114.58 115.37 1ni2 h GLU 91 Ca 0.29 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 1ni2 h GLU 91 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1ni2 h GLU 91 CO -0.09 0.41 -0.19 0.93 -1.00 0.00 0.00 179.01 179.07 1ni2 h GLU 92 N -1.00 -0.51 -6.27 2.33 5.08 -1.24 -3.45 114.58 109.52 1ni2 h GLU 92 Ca -0.10 0.03 -0.65 0.00 -1.00 0.00 0.00 59.36 57.65 1ni2 h GLU 92 Cb 0.69 0.12 0.02 0.00 0.50 0.00 0.00 28.75 30.08 1ni2 h GLU 92 CO -0.06 -0.21 0.98 1.28 -1.00 0.00 0.00 179.01 180.01 1ni2 n LEU 93 N -5.15 3.04 -0.13 1.33 4.77 -1.02 -4.89 117.00 114.95 1ni2 n LEU 93 Ca -0.09 1.02 -0.28 0.00 -0.03 0.00 0.00 56.01 56.63 1ni2 n LEU 93 Cb 0.28 -1.31 -0.10 0.00 -2.33 0.00 0.00 43.42 39.96 1ni2 n LEU 93 CO 0.26 -0.23 -1.25 -0.38 -1.33 0.00 0.00 177.39 174.45 1ni2 n ILE 94 N 4.68 1.53 -2.70 -0.08 5.41 -1.26 -4.96 119.36 121.98 1ni2 n ILE 94 Ca 0.23 -0.30 -0.32 0.00 1.00 0.00 0.00 62.75 63.36 1ni2 n ILE 94 Cb 0.25 -1.93 -0.05 0.00 -0.71 0.00 0.00 39.64 37.20 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 -2.50 4.03 0.12 0.38 -0.21 -1.26 -4.98 119.66 115.24 1ni2 s GLN 95 Ca -0.37 0.91 -0.15 0.00 0.02 0.00 0.00 55.36 55.77 1ni2 s GLN 95 Cb 0.13 -2.22 -0.03 0.00 1.00 0.00 0.00 33.01 31.89 1ni2 s GLN 95 CO 0.50 -0.10 1.57 -0.44 -2.12 0.00 0.00 175.29 174.70 1ni2 h ASP 96 N 1.47 0.64 -0.43 5.90 3.32 -1.98 -1.41 116.42 123.93 1ni2 h ASP 96 Ca -0.48 -0.30 0.02 0.00 0.02 0.00 0.00 57.03 56.29 1ni2 h ASP 96 Cb 1.18 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.53 1ni2 h ASP 96 CO 0.62 0.79 0.25 -0.29 -1.72 0.00 0.00 179.24 178.89 1ni2 h ILE 97 N 0.48 1.02 -0.59 0.35 6.09 -1.93 0.19 117.51 123.11 1ni2 h ILE 97 Ca 0.11 -0.17 -0.02 0.00 -1.37 0.00 0.00 64.86 63.41 1ni2 h ILE 97 Cb 0.46 0.49 -0.03 0.00 0.47 0.00 0.00 36.82 38.20 1ni2 h ILE 97 CO 0.02 0.09 0.30 0.74 -3.07 0.00 0.00 178.15 176.22 1ni2 h THR 98 N 0.49 1.21 -0.68 2.19 2.02 -1.92 0.30 112.91 116.52 1ni2 h THR 98 Ca 0.18 -0.56 0.01 0.00 0.77 0.00 0.00 66.41 66.80 1ni2 h THR 98 Cb 0.03 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 1ni2 h THR 98 CO -0.09 0.23 0.45 1.56 0.37 0.00 0.00 175.52 178.04 1ni2 h GLN 99 N 0.81 0.89 -0.20 6.66 4.20 -0.43 -2.08 115.11 124.96 1ni2 h GLN 99 Ca 0.21 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 1ni2 h GLN 99 Cb 0.10 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1ni2 h GLN 99 CO -0.03 0.59 0.04 -0.22 -0.67 0.00 0.00 178.83 178.54 1ni2 h LYS 100 N 0.92 0.33 -0.67 1.46 3.64 -0.07 -0.89 116.57 121.29 1ni2 h LYS 100 Ca 0.25 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1ni2 h LYS 100 Cb -0.10 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 1ni2 h LYS 100 CO -0.05 0.47 0.40 -0.07 -2.27 0.00 0.00 179.45 177.93 1ni2 h LEU 101 N 0.14 0.81 -0.21 5.20 3.38 -0.74 -0.87 115.31 123.01 1ni2 h LEU 101 Ca 0.06 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 1ni2 h LEU 101 Cb 0.30 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1ni2 h LEU 101 CO 0.00 0.63 -0.44 -0.26 0.09 0.00 0.00 178.44 178.46 1ni2 h PHE 102 N 0.93 0.85 -0.83 1.13 -1.00 -1.30 -2.40 116.94 114.32 1ni2 h PHE 102 Ca 0.24 -0.31 0.01 0.00 2.81 0.00 0.00 57.97 60.72 1ni2 h PHE 102 Cb -0.03 -0.16 -0.04 0.00 3.61 0.00 0.00 35.95 39.34 1ni2 h PHE 102 CO 0.00 1.09 0.55 0.35 -1.61 0.00 0.00 178.31 178.69 1ni2 h PHE 103 N 0.37 1.05 -0.06 -0.55 3.04 -0.66 -1.12 116.94 119.01 1ni2 h PHE 103 Ca 0.00 0.02 -0.21 0.00 3.98 0.00 0.00 57.97 61.77 1ni2 h PHE 103 Cb 1.05 -0.35 0.00 0.00 2.56 0.00 0.00 35.95 39.21 1ni2 h PHE 103 CO 0.09 0.66 -0.82 -0.07 -2.02 0.00 0.00 178.31 176.14 1ni2 h LEU 104 N 1.13 0.59 -0.36 0.59 3.38 -1.20 -1.22 115.31 118.22 1ni2 h LEU 104 Ca 0.30 -0.42 -0.18 0.00 0.09 0.00 0.00 57.88 57.67 1ni2 h LEU 104 Cb -0.13 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 1ni2 h LEU 104 CO -0.07 1.19 -0.61 -0.61 0.09 0.00 0.00 178.44 178.43 1ni2 h GLN 105 N 0.31 0.70 -0.25 1.13 4.15 -1.30 -1.54 115.11 118.30 1ni2 h GLN 105 Ca -0.05 -0.48 -0.05 0.00 0.77 0.00 0.00 58.65 58.84 1ni2 h GLN 105 Cb 1.43 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 29.18 1ni2 h GLN 105 CO 0.15 1.10 -0.04 0.28 -1.93 0.00 0.00 178.83 178.39 1ni2 h VAL 106 N 0.52 1.27 -0.13 2.39 2.07 -1.23 -2.40 116.25 118.74 1ni2 h VAL 106 Ca -0.01 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 1ni2 h VAL 106 Cb 1.20 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 1ni2 h VAL 106 CO 0.12 0.32 -0.01 0.50 0.02 0.00 0.00 177.57 178.52 1ni2 h LYS 107 N 0.22 0.18 -0.34 1.57 3.64 -1.16 -1.20 116.57 119.48 1ni2 h LYS 107 Ca 0.07 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.29 1ni2 h LYS 107 Cb 0.49 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1ni2 h LYS 107 CO 0.02 0.22 -0.31 1.49 -2.27 0.00 0.00 179.45 178.59 1ni2 h GLU 108 N 0.18 0.82 0.00 1.90 4.81 -1.06 -0.20 114.58 121.03 1ni2 h GLU 108 Ca 0.04 -0.42 -0.07 0.00 -0.13 0.00 0.00 59.36 58.78 1ni2 h GLU 108 Cb 0.15 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1ni2 h GLU 108 CO 0.00 1.06 -0.34 0.78 -0.73 0.00 0.00 179.01 179.78 1ni2 h GLY 109 N 0.61 0.00 0.95 1.92 0.00 -0.87 -1.79 103.07 103.89 1ni2 h GLY 109 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.20 1ni2 h GLY 109 CO 0.08 0.00 -0.71 -2.22 0.00 0.00 0.00 176.54 173.69 1ni2 h ILE 110 N 0.00 1.36 0.00 2.60 2.04 -1.03 -1.19 117.51 121.29 1ni2 h ILE 110 Ca -0.00 -2.05 0.00 0.00 1.00 0.00 0.00 64.86 63.81 1ni2 h ILE 110 Cb 0.61 2.38 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 1ni2 h ILE 110 CO 0.04 0.62 0.00 -0.07 0.00 0.00 0.00 178.15 178.74 1ni2 h LEU 111 N 0.15 0.00 -1.47 1.44 3.38 -0.78 -2.48 115.31 115.55 1ni2 h LEU 111 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1ni2 h LEU 111 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1ni2 h LEU 111 CO 0.14 0.00 -0.04 -1.20 0.09 0.00 0.00 178.44 177.44 1ni2 n SER 112 N -2.35 2.32 -0.74 -0.43 7.64 -0.70 -4.38 113.62 114.97 1ni2 n SER 112 Ca 0.02 -1.75 -0.10 0.00 1.01 0.00 0.00 58.87 58.06 1ni2 n SER 112 Cb 0.25 0.03 -0.04 0.00 -1.01 0.00 0.00 64.21 63.44 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 0.76 -4.39 -0.06 6.43 8.00 -0.93 -4.88 116.55 121.48 1ni2 n ASP 113 Ca 0.16 0.24 -0.11 0.00 0.71 0.00 0.00 54.79 55.79 1ni2 n ASP 113 Cb 0.49 -2.74 0.03 0.00 -0.02 0.00 0.00 41.12 38.88 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 0.06 0.75 -5.07 -1.24 5.08 -1.45 -3.41 114.58 109.30 1ni2 h GLU 114 Ca -0.20 -0.41 -0.65 0.00 -1.00 0.00 0.00 59.36 57.11 1ni2 h GLU 114 Cb 0.71 0.02 -0.23 0.00 0.50 0.00 0.00 28.75 29.74 1ni2 h GLU 114 CO 0.29 1.03 -0.65 0.42 -1.00 0.00 0.00 179.01 179.10 1ni2 s ILE 115 N -4.27 4.03 0.47 3.13 1.01 -1.04 -5.04 121.20 119.49 1ni2 s ILE 115 Ca -0.09 -0.28 -0.24 0.00 0.00 0.00 0.00 60.65 60.04 1ni2 s ILE 115 Cb 0.12 -2.84 -0.07 0.00 0.01 0.00 0.00 42.46 39.67 1ni2 s ILE 115 CO 0.86 0.40 1.33 -0.47 0.00 0.00 0.00 174.94 177.06 1ni2 s TYR 116 N 1.19 2.58 -0.18 3.97 5.04 -1.26 -4.76 117.35 123.93 1ni2 s TYR 116 Ca 0.03 1.38 -0.07 0.00 -2.44 0.00 0.00 57.07 55.98 1ni2 s TYR 116 Cb -0.14 -3.72 0.08 0.00 0.35 0.00 0.00 41.96 38.52 1ni2 s TYR 116 CO 0.02 -2.45 0.38 0.00 -1.34 0.00 0.00 175.55 172.16 1ni2 n PRO 118 N 5.26 1.73 -0.33 0.00 -0.02 -1.26 -4.78 135.00 135.60 1ni2 n PRO 118 Ca -0.09 0.63 0.12 0.00 -2.02 0.00 0.00 63.50 62.14 1ni2 n PRO 118 Cb 0.50 -2.52 0.33 0.00 -0.02 0.00 0.00 33.50 31.79 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 1.56 0.76 -0.09 0.52 0.13 -2.00 -1.41 132.00 131.48 1ni2 h PRO 119 Ca -0.50 -0.05 -0.13 0.00 -0.87 0.00 0.00 66.00 64.45 1ni2 h PRO 119 Cb 1.30 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1ni2 h PRO 119 CO 0.57 0.51 -0.51 0.93 -0.23 0.00 0.00 178.00 179.27 1ni2 h GLU 120 N 0.79 0.25 0.00 0.86 4.39 -2.00 -2.73 114.58 116.13 1ni2 h GLU 120 Ca 0.53 -0.15 -0.15 0.00 0.34 0.00 0.00 59.36 59.93 1ni2 h GLU 120 Cb 0.79 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.43 1ni2 h GLU 120 CO -0.30 0.71 -0.73 1.15 -1.16 0.00 0.00 179.01 178.67 1ni2 h THR 121 N 0.20 1.38 -0.45 1.13 2.02 -1.72 -2.54 112.91 112.93 1ni2 h THR 121 Ca 0.01 -2.65 -0.06 0.00 0.77 0.00 0.00 66.41 64.48 1ni2 h THR 121 Cb 0.97 2.48 -0.02 0.00 -1.74 0.00 0.00 68.15 69.85 1ni2 h THR 121 CO 0.08 0.72 0.03 0.00 0.37 0.00 0.00 175.52 176.72 1ni2 h ALA 122 N 1.27 0.61 -0.46 6.16 0.00 -1.13 0.17 119.26 125.87 1ni2 h ALA 122 Ca -0.01 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1ni2 h ALA 122 Cb 1.43 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1ni2 h ALA 122 CO 0.10 0.37 0.13 0.28 0.00 0.00 0.00 179.25 180.13 1ni2 h VAL 123 N 0.63 1.23 -0.26 0.00 2.07 -1.44 0.14 116.25 118.62 1ni2 h VAL 123 Ca 0.13 -0.79 -0.10 0.00 0.82 0.00 0.00 66.70 66.77 1ni2 h VAL 123 Cb 0.45 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1ni2 h VAL 123 CO 0.02 0.28 -0.26 0.25 0.02 0.00 0.00 177.57 177.87 1ni2 h LEU 124 N 0.61 0.52 -0.09 2.57 5.85 -1.22 -0.92 115.31 122.64 1ni2 h LEU 124 Ca 0.15 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 1ni2 h LEU 124 Cb 0.30 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 1ni2 h LEU 124 CO -0.00 0.78 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.74 1ni2 h LEU 125 N 0.45 0.21 -0.81 2.25 3.38 -0.43 -2.80 115.31 117.57 1ni2 h LEU 125 Ca 0.06 -0.46 0.16 0.00 0.09 0.00 0.00 57.88 57.74 1ni2 h LEU 125 Cb 0.70 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.29 1ni2 h LEU 125 CO 0.05 0.62 0.34 1.23 0.09 0.00 0.00 178.44 180.77 1ni2 h GLY 126 N -0.20 1.27 0.78 0.83 0.00 -0.45 0.70 103.07 106.00 1ni2 h GLY 126 Ca 0.02 -0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.21 1ni2 h GLY 126 CO 0.02 -0.13 0.10 1.48 0.00 0.00 0.00 176.54 178.01 1ni2 h SER 127 N 0.46 0.11 -0.73 0.19 4.64 -1.01 0.11 113.55 117.33 1ni2 h SER 127 Ca 0.46 0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.76 1ni2 h SER 127 Cb 0.73 0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.80 1ni2 h SER 127 CO -0.43 0.10 0.31 1.88 -0.87 0.00 0.00 176.83 177.82 1ni2 h TYR 128 N 0.22 1.10 -0.72 4.77 0.99 -0.90 0.22 116.97 122.66 1ni2 h TYR 128 Ca 0.12 -0.07 -0.04 0.00 2.00 0.00 0.00 58.73 60.74 1ni2 h TYR 128 Cb 0.09 -0.33 -0.03 0.00 1.00 0.00 0.00 36.73 37.45 1ni2 h TYR 128 CO -0.13 0.83 0.29 0.00 -0.00 0.00 0.00 178.16 179.16 1ni2 h ALA 129 N 1.26 1.15 0.31 3.88 0.00 -0.29 -1.41 119.26 124.17 1ni2 h ALA 129 Ca 0.25 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1ni2 h ALA 129 Cb 0.18 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1ni2 h ALA 129 CO -0.02 0.61 -0.15 0.28 0.00 0.00 0.00 179.25 179.97 1ni2 h VAL 130 N 1.05 0.71 -0.97 0.00 2.07 0.26 -2.54 116.25 116.83 1ni2 h VAL 130 Ca 0.24 -0.37 0.22 0.00 0.82 0.00 0.00 66.70 67.61 1ni2 h VAL 130 Cb 0.19 0.91 -0.12 0.00 -1.52 0.00 0.00 31.29 30.75 1ni2 h VAL 130 CO -0.02 0.07 0.55 -0.61 0.02 0.00 0.00 177.57 177.58 1ni2 h GLN 131 N -0.62 0.58 0.00 1.57 5.75 -0.27 0.17 115.11 122.29 1ni2 h GLN 131 Ca -0.04 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.35 1ni2 h GLN 131 Cb 0.45 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 1ni2 h GLN 131 CO 0.07 0.38 -0.35 0.00 -2.65 0.00 0.00 178.83 176.28 1ni2 h ALA 132 N 1.69 1.06 0.00 3.38 0.00 -1.07 -2.49 119.26 121.83 1ni2 h ALA 132 Ca 0.60 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1ni2 h ALA 132 Cb 1.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1ni2 h ALA 132 CO -0.45 0.44 -0.28 1.17 0.00 0.00 0.00 179.25 180.13 1ni2 n LYS 133 N -3.61 0.21 0.07 0.00 4.81 0.47 -4.51 118.16 115.60 1ni2 n LYS 133 Ca -0.01 0.30 0.11 0.00 -0.87 0.00 0.00 58.31 57.85 1ni2 n LYS 133 Cb 0.47 -1.10 0.44 0.00 0.02 0.00 0.00 35.03 34.87 1ni2 n LYS 133 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1ni2 n PHE 134 N -3.31 0.47 -0.65 5.64 3.01 -0.56 -5.00 117.46 117.06 1ni2 n PHE 134 Ca -0.04 0.17 0.00 0.00 1.01 0.00 0.00 57.45 58.59 1ni2 n PHE 134 Cb 0.14 -0.77 0.00 0.00 -0.01 0.00 0.00 39.48 38.85 1ni2 n PHE 134 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ni2 n GLY 135 N 0.52 0.45 3.82 1.37 0.00 -0.94 -4.84 105.19 105.56 1ni2 n GLY 135 Ca 0.04 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.79 1ni2 n GLY 135 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ni2 s ASP 136 N -4.00 7.05 0.07 1.61 1.11 -1.26 -4.45 116.67 116.80 1ni2 s ASP 136 Ca 0.00 1.37 -0.30 0.00 0.18 0.00 0.00 52.55 53.80 1ni2 s ASP 136 Cb 0.00 -2.40 -0.09 0.00 1.07 0.00 0.00 42.92 41.49 1ni2 s ASP 136 CO 0.00 0.08 1.90 -0.47 1.18 0.00 0.00 175.17 177.85 1ni2 s TYR 137 N -1.45 1.70 -0.12 4.23 5.04 -1.26 -4.99 117.35 120.50 1ni2 s TYR 137 Ca 0.40 -0.24 0.03 0.00 -2.44 0.00 0.00 57.07 54.81 1ni2 s TYR 137 Cb -0.17 -4.21 -0.00 0.00 0.35 0.00 0.00 41.96 37.93 1ni2 s TYR 137 CO 0.21 -5.21 -0.21 1.21 -1.34 0.00 0.00 175.55 170.21 1ni2 s ASN 138 N 3.61 3.32 0.20 4.32 3.84 -1.26 -5.02 114.94 123.97 1ni2 s ASN 138 Ca 0.85 -0.52 0.25 0.00 0.21 0.00 0.00 52.86 53.65 1ni2 s ASN 138 Cb -0.44 -1.47 0.54 0.00 -0.55 0.00 0.00 41.25 39.33 1ni2 s ASN 138 CO 0.39 0.13 1.55 0.50 -2.79 0.00 0.00 177.10 176.88 1ni2 h LYS 139 N 6.91 0.00 0.00 0.43 3.64 -1.94 -2.00 116.57 123.61 1ni2 h LYS 139 Ca -0.25 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.03 1ni2 h LYS 139 Cb 1.22 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 1ni2 h LYS 139 CO 0.51 0.00 -0.62 0.93 -2.27 0.00 0.00 179.45 178.01 1ni2 h GLU 140 N 0.00 0.00 0.02 1.90 5.08 -2.00 -3.39 114.58 116.18 1ni2 h GLU 140 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ni2 h GLU 140 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1ni2 h GLU 140 CO 0.00 0.80 -0.01 0.28 -1.00 0.00 0.00 179.01 179.08 1ni2 h VAL 141 N -1.00 1.47 -0.40 3.13 2.07 -2.01 -3.37 116.25 116.14 1ni2 h VAL 141 Ca -0.16 -1.66 -0.72 0.00 0.82 0.00 0.00 66.70 64.99 1ni2 h VAL 141 Cb 0.99 2.56 -0.07 0.00 -1.52 0.00 0.00 31.29 33.25 1ni2 h VAL 141 CO -0.09 0.42 2.86 1.41 0.02 0.00 0.00 177.57 182.18 1ni2 n HIS 142 N -4.76 3.28 -2.56 1.57 8.25 -0.75 -4.93 115.22 115.33 1ni2 n HIS 142 Ca -0.09 -2.93 -0.34 0.00 -0.26 0.00 0.00 57.72 54.11 1ni2 n HIS 142 Cb 0.35 -2.37 -0.04 0.00 1.12 0.00 0.00 29.99 29.05 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 2.27 3.87 -0.55 -0.41 1.02 -1.26 -4.65 119.74 120.02 1ni2 s LYS 143 Ca 0.46 1.27 -0.33 0.00 0.02 0.00 0.00 55.97 57.40 1ni2 s LYS 143 Cb 0.13 -2.11 -0.16 0.00 -0.52 0.00 0.00 37.83 35.16 1ni2 s LYS 143 CO -0.06 -0.36 1.92 -1.13 -0.92 0.00 0.00 175.35 174.80 1ni2 n SER 144 N -1.01 0.49 0.00 2.83 3.41 -1.26 -2.41 113.62 115.67 1ni2 n SER 144 Ca 0.09 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1ni2 n SER 144 Cb 0.53 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 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 5.89 0.88 0.24 5.00 0.00 -1.26 -5.00 105.19 110.94 1ni2 n GLY 145 Ca 0.48 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.65 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 -0.00 1.61 -0.00 -1.79 0.61 116.97 117.39 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 0.00 -0.72 1.28 -0.00 0.00 0.00 178.16 178.72 1ni2 n LEU 147 N -2.56 1.15 -0.29 0.10 4.77 -1.26 -4.45 117.00 114.47 1ni2 n LEU 147 Ca -0.02 -0.58 0.07 0.00 -0.03 0.00 0.00 56.01 55.45 1ni2 n LEU 147 Cb 0.13 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.51 1ni2 n LEU 147 CO 0.13 0.25 1.24 -1.28 -1.33 0.00 0.00 177.39 176.40 1ni2 h SER 148 N 0.64 0.82 -0.19 -1.43 0.87 -1.26 -0.54 113.55 112.46 1ni2 h SER 148 Ca 0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1ni2 h SER 148 Cb 0.50 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1ni2 h SER 148 CO 0.00 0.49 0.00 -1.54 -0.53 0.00 0.00 176.83 175.25 1ni2 n SER 149 N -4.52 1.36 -4.25 6.23 3.41 -1.26 -4.84 113.62 109.75 1ni2 n SER 149 Ca 0.15 -1.79 -0.35 0.00 -0.26 0.00 0.00 58.87 56.62 1ni2 n SER 149 Cb 0.29 -0.12 -0.14 0.00 -0.26 0.00 0.00 64.21 63.97 1ni2 n SER 149 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ni2 s GLU 150 N -1.75 3.05 -0.52 4.33 0.41 -0.21 -5.06 118.70 118.94 1ni2 s GLU 150 Ca 0.26 -0.84 -0.27 0.00 -0.41 0.00 0.00 54.97 53.71 1ni2 s GLU 150 Cb 0.14 -3.02 -0.02 0.00 -1.78 0.00 0.00 34.13 29.45 1ni2 s GLU 150 CO 0.20 -0.33 1.81 1.03 -0.49 0.00 0.00 175.26 177.48 1ni2 s ARG 151 N 1.39 2.89 -0.11 1.61 0.52 -1.26 -4.80 118.95 119.19 1ni2 s ARG 151 Ca 0.03 0.86 0.13 0.00 -0.52 0.00 0.00 55.73 56.22 1ni2 s ARG 151 Cb -0.16 -4.31 -0.18 0.00 0.52 0.00 0.00 34.95 30.83 1ni2 s ARG 151 CO -0.04 -2.40 0.10 1.28 0.02 0.00 0.00 175.30 174.26 1ni2 n LEU 152 N 11.78 0.00 -4.32 2.53 4.32 -1.26 -4.99 117.00 125.05 1ni2 n LEU 152 Ca 0.21 0.00 -0.32 0.00 -0.02 0.00 0.00 56.01 55.88 1ni2 n LEU 152 Cb 0.50 0.27 -0.15 0.00 -1.62 0.00 0.00 43.42 42.42 1ni2 n LEU 152 CO 0.70 0.27 -0.51 -0.63 -1.22 0.00 0.00 177.39 176.00 1ni2 s ILE 153 N -2.47 2.49 0.43 -0.08 -1.09 -1.26 -4.57 121.20 114.66 1ni2 s ILE 153 Ca -0.06 -0.89 -0.26 0.00 -2.23 0.00 0.00 60.65 57.20 1ni2 s ILE 153 Cb 0.05 -1.97 -0.09 0.00 -1.58 0.00 0.00 42.46 38.87 1ni2 s ILE 153 CO 0.57 0.56 1.44 -0.81 -1.23 0.00 0.00 174.94 175.47 1ni2 n PRO 154 N 3.10 2.36 0.01 2.79 -0.04 -1.26 -4.83 135.00 137.14 1ni2 n PRO 154 Ca -0.18 0.84 -0.10 0.00 -0.04 0.00 0.00 63.50 64.02 1ni2 n PRO 154 Cb 0.52 -2.63 -0.03 0.00 -0.04 0.00 0.00 33.50 31.32 1ni2 n PRO 154 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1ni2 h GLN 155 N 2.47 -0.31 -0.40 0.54 5.75 -1.91 -0.74 115.11 120.51 1ni2 h GLN 155 Ca -0.51 0.02 0.12 0.00 -0.15 0.00 0.00 58.65 58.13 1ni2 h GLN 155 Cb 1.26 0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.87 1ni2 h GLN 155 CO 0.62 -0.20 0.58 0.00 -2.65 0.00 0.00 178.83 177.17 1ni2 h ARG 156 N -0.32 0.00 0.23 1.69 3.08 -1.94 0.49 114.38 117.62 1ni2 h ARG 156 Ca 0.09 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.81 1ni2 h ARG 156 Cb 0.45 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.53 1ni2 h ARG 156 CO -0.29 0.00 -1.54 0.28 -1.07 0.00 0.00 179.97 177.36 1ni2 h VAL 157 N 0.00 1.18 -0.41 2.04 2.07 -1.49 -3.22 116.25 116.43 1ni2 h VAL 157 Ca 0.19 -2.63 -0.08 0.00 0.82 0.00 0.00 66.70 65.00 1ni2 h VAL 157 Cb 1.35 2.97 -0.02 0.00 -1.52 0.00 0.00 31.29 34.07 1ni2 h VAL 157 CO -0.00 0.82 -0.07 0.24 0.02 0.00 0.00 177.57 178.58 1ni2 h MET 158 N 0.10 0.70 -0.22 1.57 2.86 0.17 -2.71 114.93 117.39 1ni2 h MET 158 Ca -0.28 -0.20 0.06 0.00 -2.06 0.00 0.00 59.70 57.22 1ni2 h MET 158 Cb 2.12 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 33.70 1ni2 h MET 158 CO 0.24 0.76 0.16 -0.44 1.06 0.00 0.00 176.91 178.69 1ni2 h ASP 159 N 0.64 0.00 -0.00 1.22 5.19 -0.78 -2.96 116.42 119.73 1ni2 h ASP 159 Ca 0.12 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1ni2 h ASP 159 Cb 0.50 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.01 1ni2 h ASP 159 CO 0.03 0.00 -0.75 0.00 -3.12 0.00 0.00 179.24 175.40 1ni2 n GLN 160 N -4.47 0.58 -3.80 3.56 1.13 -1.03 -4.81 117.38 108.53 1ni2 n GLN 160 Ca 0.02 -0.48 -0.28 0.00 -1.94 0.00 0.00 57.00 54.33 1ni2 n GLN 160 Cb 0.31 -1.49 -0.16 0.00 0.11 0.00 0.00 30.24 29.00 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 -2.75 1.36 -0.57 1.08 3.76 -1.12 -5.08 115.29 111.96 1ni2 s HIS 161 Ca 0.13 -0.99 -0.27 0.00 -0.15 0.00 0.00 55.06 53.79 1ni2 s HIS 161 Cb 0.17 -1.16 -0.03 0.00 1.11 0.00 0.00 32.58 32.67 1ni2 s HIS 161 CO 0.73 -0.61 1.96 -1.59 -0.85 0.00 0.00 174.74 174.37 1ni2 s LYS 162 N 1.75 2.57 0.16 1.40 0.00 -1.26 -4.74 119.74 119.61 1ni2 s LYS 162 Ca -0.01 0.80 -0.08 0.00 0.00 0.00 0.00 55.97 56.68 1ni2 s LYS 162 Cb -0.17 -4.41 -0.01 0.00 0.00 0.00 0.00 37.83 33.24 1ni2 s LYS 162 CO -0.07 -2.79 0.25 -0.51 0.00 0.00 0.00 175.35 172.24 1ni2 s LEU 163 N 9.53 1.06 0.03 2.77 1.43 -1.26 -5.16 118.68 127.08 1ni2 s LEU 163 Ca 0.73 -0.92 -0.01 0.00 -1.03 0.00 0.00 54.13 52.90 1ni2 s LEU 163 Cb -0.14 1.07 -0.04 0.00 0.03 0.00 0.00 46.19 47.11 1ni2 s LEU 163 CO 0.22 -0.87 0.17 0.42 0.23 0.00 0.00 176.35 176.52 1ni2 s THR 164 N -3.98 5.22 0.34 5.49 -4.23 -1.26 -4.95 115.64 112.28 1ni2 s THR 164 Ca 0.18 -0.35 0.13 0.00 -1.18 0.00 0.00 61.69 60.47 1ni2 s THR 164 Cb 0.04 -3.49 0.37 0.00 1.34 0.00 0.00 72.50 70.76 1ni2 s THR 164 CO 0.00 0.23 1.59 -0.09 -0.54 0.00 0.00 174.62 175.82 1ni2 h ARG 165 N 3.50 0.05 0.00 3.99 9.65 -2.01 1.67 114.38 131.24 1ni2 h ARG 165 Ca -0.47 -0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 58.31 1ni2 h ARG 165 Cb 1.17 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.73 1ni2 h ARG 165 CO 0.71 0.03 -0.44 0.22 2.80 0.00 0.00 179.97 183.29 1ni2 h ASP 166 N 0.05 0.00 -0.02 -3.80 -0.00 -1.99 -1.80 116.42 108.86 1ni2 h ASP 166 Ca 0.74 0.00 -0.21 0.00 -0.00 0.00 0.00 57.03 57.55 1ni2 h ASP 166 Cb 1.78 0.00 0.02 0.00 -0.00 0.00 0.00 39.33 41.12 1ni2 h ASP 166 CO -0.79 0.44 -0.81 1.56 -0.00 0.00 0.00 179.24 179.64 1ni2 h GLN 167 N 0.00 0.58 0.04 0.28 4.20 0.20 -2.35 115.11 118.07 1ni2 h GLN 167 Ca -0.00 -0.60 -0.00 0.00 0.06 0.00 0.00 58.65 58.10 1ni2 h GLN 167 Cb 0.86 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.80 1ni2 h GLN 167 CO 0.06 1.22 -0.02 -1.49 -0.67 0.00 0.00 178.83 177.92 1ni2 h TRP 168 N 0.19 -0.05 -0.83 2.96 4.06 -1.09 -1.38 115.95 119.81 1ni2 h TRP 168 Ca -0.10 -0.00 0.19 0.00 2.06 0.00 0.00 58.89 61.05 1ni2 h TRP 168 Cb 1.49 0.02 -0.12 0.00 -1.00 0.00 0.00 29.16 29.54 1ni2 h TRP 168 CO 0.12 0.01 0.28 0.93 -3.56 0.00 0.00 178.44 176.22 1ni2 h GLU 169 N -0.10 0.32 0.39 0.49 5.08 -1.35 0.24 114.58 119.64 1ni2 h GLU 169 Ca -0.01 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1ni2 h GLU 169 Cb 0.08 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1ni2 h GLU 169 CO 0.01 0.21 -0.29 -0.44 -1.00 0.00 0.00 179.01 177.50 1ni2 h ASP 170 N 0.32 -0.75 -1.13 1.42 3.45 -0.77 0.25 116.42 119.22 1ni2 h ASP 170 Ca 0.50 0.05 0.33 0.00 0.43 0.00 0.00 57.03 58.33 1ni2 h ASP 170 Cb 0.91 0.23 -0.11 0.00 -0.56 0.00 0.00 39.33 39.80 1ni2 h ASP 170 CO -0.54 -0.41 0.72 0.03 -1.57 0.00 0.00 179.24 177.47 1ni2 h ARG 171 N -0.65 0.28 -0.43 3.56 3.08 -0.15 0.64 114.38 120.72 1ni2 h ARG 171 Ca -0.05 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.89 1ni2 h ARG 171 Cb 0.53 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1ni2 h ARG 171 CO 0.02 0.18 -0.08 0.82 -1.07 0.00 0.00 179.97 179.85 1ni2 h ILE 172 N 0.29 1.27 -0.16 2.04 2.04 0.37 -3.23 117.51 120.12 1ni2 h ILE 172 Ca 0.68 -1.17 0.02 0.00 1.00 0.00 0.00 64.86 65.40 1ni2 h ILE 172 Cb 1.87 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 39.07 1ni2 h ILE 172 CO -0.37 0.40 0.01 1.56 0.00 0.00 0.00 178.15 179.75 1ni2 h GLN 173 N 0.64 0.06 -0.98 2.37 4.20 0.37 -0.77 115.11 121.01 1ni2 h GLN 173 Ca 0.11 -0.00 0.22 0.00 0.06 0.00 0.00 58.65 59.04 1ni2 h GLN 173 Cb 0.60 -0.01 -0.12 0.00 0.30 0.00 0.00 27.48 28.25 1ni2 h GLN 173 CO 0.04 0.04 0.57 0.28 -0.67 0.00 0.00 178.83 179.09 1ni2 h VAL 174 N 0.07 0.59 0.10 -0.54 2.07 -1.46 0.48 116.25 117.56 1ni2 h VAL 174 Ca 0.07 -0.21 -0.27 0.00 0.82 0.00 0.00 66.70 67.12 1ni2 h VAL 174 Cb 0.08 -0.08 0.03 0.00 -1.52 0.00 0.00 31.29 29.80 1ni2 h VAL 174 CO -0.12 0.11 -1.10 -0.50 0.02 0.00 0.00 177.57 175.98 1ni2 h TRP 175 N 0.61 0.91 -0.85 1.57 4.06 -1.55 -3.17 115.95 117.53 1ni2 h TRP 175 Ca 0.61 -0.57 0.18 0.00 2.06 0.00 0.00 58.89 61.16 1ni2 h TRP 175 Cb 1.08 -0.07 -0.11 0.00 -1.00 0.00 0.00 29.16 29.06 1ni2 h TRP 175 CO -0.03 1.41 0.39 1.25 -3.56 0.00 0.00 178.44 177.90 1ni2 h HIS 176 N 0.15 0.66 -0.47 0.49 2.76 0.30 -1.13 115.15 117.91 1ni2 h HIS 176 Ca -0.17 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.04 1ni2 h HIS 176 Cb 1.80 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 30.57 1ni2 h HIS 176 CO 0.13 0.06 0.30 0.00 -1.30 0.00 0.00 177.93 177.13 1ni2 h ALA 177 N 1.62 0.60 -0.60 5.26 0.00 -0.97 -2.73 119.26 122.44 1ni2 h ALA 177 Ca 0.49 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.52 1ni2 h ALA 177 Cb 0.81 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1ni2 h ALA 177 CO -0.44 0.06 0.42 0.93 0.00 0.00 0.00 179.25 180.22 1ni2 h GLU 178 N 0.64 0.10 -5.84 0.00 4.39 -1.18 -3.34 114.58 109.34 1ni2 h GLU 178 Ca 0.17 -0.01 -0.63 0.00 0.34 0.00 0.00 59.36 59.23 1ni2 h GLU 178 Cb -0.05 -0.02 -0.11 0.00 -0.10 0.00 0.00 28.75 28.46 1ni2 h GLU 178 CO -0.04 0.07 1.51 -1.01 -1.16 0.00 0.00 179.01 178.38 1ni2 s HIS 179 N -5.11 2.70 -0.17 4.33 3.76 -1.03 -4.98 115.29 114.80 1ni2 s HIS 179 Ca -0.06 -1.11 -0.15 0.00 -0.15 0.00 0.00 55.06 53.59 1ni2 s HIS 179 Cb 0.20 -4.63 -0.04 0.00 1.11 0.00 0.00 32.58 29.22 1ni2 s HIS 179 CO 0.74 -1.83 0.33 -0.98 -0.85 0.00 0.00 174.74 172.15 1ni2 s ARG 180 N 4.35 4.24 -1.14 1.40 1.70 -1.26 -4.29 118.95 123.97 1ni2 s ARG 180 Ca 0.45 0.14 0.00 0.00 -0.47 0.00 0.00 55.73 55.85 1ni2 s ARG 180 Cb -0.00 -3.46 0.00 0.00 -0.57 0.00 0.00 34.95 30.92 1ni2 s ARG 180 CO -0.06 0.16 0.00 0.41 -1.08 0.00 0.00 175.30 174.73 1ni2 n GLY 181 N 3.54 1.02 3.66 3.88 0.00 -1.26 -4.88 105.19 111.15 1ni2 n GLY 181 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.75 4.20 0.43 1.61 1.75 -1.26 -4.96 119.30 118.32 1ni2 s MET 182 Ca 0.00 1.72 -0.25 0.00 -1.25 0.00 0.00 55.69 55.91 1ni2 s MET 182 Cb 0.00 -3.81 -0.08 0.00 2.84 0.00 0.00 34.83 33.78 1ni2 s MET 182 CO 0.00 -0.77 1.32 -0.51 -0.65 0.00 0.00 175.02 174.42 1ni2 s LEU 183 N 3.67 4.14 0.33 4.11 1.43 -1.26 -4.79 118.68 126.32 1ni2 s LEU 183 Ca 0.58 2.69 0.11 0.00 -1.03 0.00 0.00 54.13 56.49 1ni2 s LEU 183 Cb -0.23 -3.97 0.98 0.00 0.03 0.00 0.00 46.19 43.00 1ni2 s LEU 183 CO 0.18 -0.99 1.69 0.11 0.23 0.00 0.00 176.35 177.56 1ni2 h LYS 184 N 2.45 0.40 0.00 1.70 1.57 -1.88 0.53 116.57 121.34 1ni2 h LYS 184 Ca -0.50 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.25 1ni2 h LYS 184 Cb 1.26 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 1ni2 h LYS 184 CO 0.62 0.26 -0.05 -0.44 -0.57 0.00 0.00 179.45 179.28 1ni2 h ASP 185 N 0.41 0.00 0.11 0.86 3.32 -1.93 -3.06 116.42 116.13 1ni2 h ASP 185 Ca 0.68 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 57.44 1ni2 h ASP 185 Cb 1.45 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.00 1ni2 h ASP 185 CO -0.56 0.05 -1.51 0.78 -1.72 0.00 0.00 179.24 176.27 1ni2 h ASN 186 N 0.00 0.36 -0.72 6.45 2.35 -0.30 -3.29 115.58 120.44 1ni2 h ASN 186 Ca -0.00 -0.84 0.12 0.00 -0.55 0.00 0.00 56.30 55.03 1ni2 h ASN 186 Cb 0.41 -0.12 -0.08 0.00 0.05 0.00 0.00 38.32 38.58 1ni2 h ASN 186 CO 0.01 1.66 0.30 0.00 -1.65 0.00 0.00 177.43 177.75 1ni2 h ALA 187 N -0.06 0.99 -0.90 -0.83 0.00 -1.36 0.39 119.26 117.50 1ni2 h ALA 187 Ca -0.33 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1ni2 h ALA 187 Cb 1.78 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.57 1ni2 h ALA 187 CO 0.05 -0.16 0.59 0.52 0.00 0.00 0.00 179.25 180.25 1ni2 h MET 188 N 0.48 1.16 -0.46 0.00 2.86 -1.69 0.98 114.93 118.27 1ni2 h MET 188 Ca 0.38 -0.07 -0.12 0.00 -2.06 0.00 0.00 59.70 57.83 1ni2 h MET 188 Cb 0.51 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 1ni2 h MET 188 CO -0.35 0.77 -0.18 1.25 1.06 0.00 0.00 176.91 179.46 1ni2 h LEU 189 N 1.20 0.90 -0.48 1.22 5.85 -1.07 -1.52 115.31 121.41 1ni2 h LEU 189 Ca 0.33 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1ni2 h LEU 189 Cb -0.11 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.65 1ni2 h LEU 189 CO -0.08 1.06 0.18 -0.33 -0.34 0.00 0.00 178.44 178.94 1ni2 h GLU 190 N 0.78 0.72 -0.17 1.25 4.39 -0.52 0.58 114.58 121.61 1ni2 h GLU 190 Ca 0.11 -0.14 0.04 0.00 0.34 0.00 0.00 59.36 59.72 1ni2 h GLU 190 Cb 0.72 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.21 1ni2 h GLU 190 CO 0.06 0.66 -0.10 -0.92 -1.16 0.00 0.00 179.01 177.54 1ni2 h TYR 191 N 0.64 -0.25 0.00 4.33 3.20 -0.65 0.14 116.97 124.38 1ni2 h TYR 191 Ca 0.16 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.99 1ni2 h TYR 191 Cb 0.21 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 1ni2 h TYR 191 CO 0.01 -0.16 -0.30 -0.07 -1.64 0.00 0.00 178.16 176.00 1ni2 h LEU 192 N -0.10 0.00 -0.84 2.82 3.38 -0.77 0.13 115.31 119.93 1ni2 h LEU 192 Ca 0.10 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 1ni2 h LEU 192 Cb 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1ni2 h LEU 192 CO -0.23 0.30 0.01 0.11 0.09 0.00 0.00 178.44 178.71 1ni2 h LYS 193 N 0.00 0.87 0.01 1.13 1.57 0.19 -2.01 116.57 118.33 1ni2 h LYS 193 Ca -0.00 -0.24 -0.08 0.00 -1.87 0.00 0.00 60.65 58.45 1ni2 h LYS 193 Cb 0.52 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.75 1ni2 h LYS 193 CO 0.04 0.86 -0.33 0.82 -0.57 0.00 0.00 179.45 180.27 1ni2 h ILE 194 N 0.81 1.54 -0.92 1.86 1.08 -0.43 -3.32 117.51 118.13 1ni2 h ILE 194 Ca 0.15 -2.03 0.07 0.00 -0.39 0.00 0.00 64.86 62.66 1ni2 h ILE 194 Cb 0.48 2.80 -0.06 0.00 -3.07 0.00 0.00 36.82 36.97 1ni2 h ILE 194 CO 0.02 0.56 0.60 0.00 -0.69 0.00 0.00 178.15 178.64 1ni2 h ALA 195 N 0.24 1.51 -0.63 1.87 0.00 -1.00 -1.39 119.26 119.86 1ni2 h ALA 195 Ca -0.04 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 54.99 1ni2 h ALA 195 Cb 1.10 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1ni2 h ALA 195 CO 0.06 0.35 0.43 0.37 0.00 0.00 0.00 179.25 180.46 1ni2 h GLN 196 N 1.04 0.21 0.00 0.00 4.15 -1.46 -0.84 115.11 118.21 1ni2 h GLN 196 Ca 0.40 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.81 1ni2 h GLN 196 Cb 0.22 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.86 1ni2 h GLN 196 CO -0.15 0.14 0.00 -0.25 -1.93 0.00 0.00 178.83 176.64 1ni2 n ASP 197 N -4.43 0.19 -4.77 -0.69 8.00 -0.52 -4.83 116.55 109.49 1ni2 n ASP 197 Ca 0.11 0.52 -0.39 0.00 0.71 0.00 0.00 54.79 55.75 1ni2 n ASP 197 Cb 0.54 -0.57 -0.01 0.00 -0.02 0.00 0.00 41.12 41.07 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 -3.35 4.16 0.51 0.64 1.43 -0.32 -4.92 118.68 116.83 1ni2 s LEU 198 Ca 0.13 2.52 0.15 0.00 -1.03 0.00 0.00 54.13 55.90 1ni2 s LEU 198 Cb 0.17 -4.00 1.23 0.00 0.03 0.00 0.00 46.19 43.62 1ni2 s LEU 198 CO 0.54 -0.85 2.13 -0.33 0.23 0.00 0.00 176.35 178.07 1ni2 h GLU 199 N 2.52 0.07 -0.33 1.70 5.08 -1.89 -2.39 114.58 119.34 1ni2 h GLU 199 Ca -0.49 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1ni2 h GLU 199 Cb 1.25 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1ni2 h GLU 199 CO 0.62 0.05 0.00 -1.33 -1.00 0.00 0.00 179.01 177.34 1ni2 n MET 200 N -4.52 2.34 -1.86 2.33 2.81 -1.26 -4.95 117.12 112.01 1ni2 n MET 200 Ca -0.01 -2.02 -0.41 0.00 -1.81 0.00 0.00 57.70 53.45 1ni2 n MET 200 Cb 0.12 -1.49 -0.01 0.00 -0.71 0.00 0.00 33.22 31.14 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 -1.58 2.68 -1.89 2.03 5.04 -0.90 -3.44 117.35 119.29 1ni2 s TYR 201 Ca 0.37 1.18 0.00 0.00 -2.44 0.00 0.00 57.07 56.18 1ni2 s TYR 201 Cb 0.21 -3.96 0.00 0.00 0.35 0.00 0.00 41.96 38.56 1ni2 s TYR 201 CO 0.30 -2.83 0.00 0.41 -1.34 0.00 0.00 175.55 172.10 1ni2 n GLY 202 N 0.65 1.11 3.35 8.97 0.00 -1.26 -4.99 105.19 113.02 1ni2 n GLY 202 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.71 2.70 -0.27 -0.61 1.01 -1.22 -4.42 121.20 115.68 1ni2 s ILE 203 Ca 0.00 -0.81 -0.11 0.00 0.00 0.00 0.00 60.65 59.72 1ni2 s ILE 203 Cb 0.00 -2.07 -0.05 0.00 0.01 0.00 0.00 42.46 40.35 1ni2 s ILE 203 CO 0.00 0.55 0.19 0.20 0.00 0.00 0.00 174.94 175.89 1ni2 s ASN 204 N -0.01 6.06 -0.08 3.58 0.01 -0.84 -4.92 114.94 118.75 1ni2 s ASN 204 Ca -0.05 0.04 -0.09 0.00 -0.71 0.00 0.00 52.86 52.05 1ni2 s ASN 204 Cb -0.15 -2.12 -0.04 0.00 0.41 0.00 0.00 41.25 39.35 1ni2 s ASN 204 CO 0.05 -0.02 0.22 -0.31 -1.51 0.00 0.00 177.10 175.52 1ni2 s TYR 205 N 1.57 3.63 0.01 2.20 1.51 -1.26 -1.64 117.35 123.37 1ni2 s TYR 205 Ca 0.08 0.65 0.00 0.00 -1.01 0.00 0.00 57.07 56.79 1ni2 s TYR 205 Cb -0.15 -2.03 -0.01 0.00 -0.11 0.00 0.00 41.96 39.66 1ni2 s TYR 205 CO 0.09 0.71 -0.01 -0.06 -1.11 0.00 0.00 175.55 175.17 1ni2 s PHE 206 N -1.07 0.08 -0.01 2.71 0.40 -0.17 -4.95 117.98 114.98 1ni2 s PHE 206 Ca 0.18 -0.16 -0.27 0.00 -0.60 0.00 0.00 56.93 56.09 1ni2 s PHE 206 Cb -0.13 -0.06 -0.04 0.00 0.51 0.00 0.00 43.02 43.30 1ni2 s PHE 206 CO 0.08 -0.06 0.83 -1.21 0.70 0.00 0.00 175.22 175.56 1ni2 s GLU 207 N -0.44 4.51 0.27 0.44 2.02 -1.26 -0.59 118.70 123.66 1ni2 s GLU 207 Ca -0.05 1.15 0.01 0.00 0.02 0.00 0.00 54.97 56.10 1ni2 s GLU 207 Cb -0.03 -3.43 -0.03 0.00 0.10 0.00 0.00 34.13 30.74 1ni2 s GLU 207 CO -0.00 0.08 0.27 0.96 0.02 0.00 0.00 175.26 176.59 1ni2 s ILE 208 N 0.63 0.00 -0.05 -1.63 -4.36 -0.18 -4.48 121.20 111.13 1ni2 s ILE 208 Ca 0.43 -1.89 -0.03 0.00 -0.26 0.00 0.00 60.65 58.90 1ni2 s ILE 208 Cb -0.20 -2.50 0.02 0.00 1.25 0.00 0.00 42.46 41.04 1ni2 s ILE 208 CO 0.23 0.00 0.11 -0.54 0.24 0.00 0.00 174.94 174.99 1ni2 s LYS 209 N -3.71 0.10 0.00 0.37 1.02 -0.98 0.77 119.74 117.31 1ni2 s LYS 209 Ca 0.37 0.23 0.00 0.00 0.02 0.00 0.00 55.97 56.59 1ni2 s LYS 209 Cb 0.03 -0.05 0.00 0.00 -0.52 0.00 0.00 37.83 37.29 1ni2 s LYS 209 CO 0.19 -0.08 0.00 0.27 -0.92 0.00 0.00 175.35 174.81 1ni2 n ASN 210 N 3.55 0.00 0.31 2.83 2.04 -1.06 -0.26 115.26 122.67 1ni2 n ASN 210 Ca -0.19 0.00 -0.16 0.00 -0.44 0.00 0.00 54.58 53.79 1ni2 n ASN 210 Cb 0.56 0.00 -0.08 0.00 -2.53 0.00 0.00 39.78 37.72 1ni2 n ASN 210 CO 0.00 0.00 0.00 0.11 -0.44 0.00 0.00 177.26 176.93 1ni2 h LYS 211 N 0.00 -0.73 0.00 -3.83 1.57 -1.93 -1.72 116.57 109.93 1ni2 h LYS 211 Ca 0.00 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1ni2 h LYS 211 Cb 0.00 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1ni2 h LYS 211 CO 0.00 -0.44 0.11 1.63 -0.57 0.00 0.00 179.45 180.18 1ni2 n LYS 212 N -5.37 0.01 -1.39 3.15 4.76 -1.26 -4.77 118.16 113.29 1ni2 n LYS 212 Ca -0.12 0.42 -0.03 0.00 -2.87 0.00 0.00 58.31 55.70 1ni2 n LYS 212 Cb 0.33 -1.65 -0.01 0.00 -1.84 0.00 0.00 35.03 31.87 1ni2 n LYS 212 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ni2 n GLY 213 N -1.39 0.50 3.78 0.72 0.00 -0.64 -5.03 105.19 103.13 1ni2 n GLY 213 Ca -0.00 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.13 4.85 0.20 2.61 -4.23 -1.26 -4.76 115.64 110.93 1ni2 s THR 214 Ca 0.00 1.20 -0.30 0.00 -1.18 0.00 0.00 61.69 61.41 1ni2 s THR 214 Cb 0.00 -3.90 -0.09 0.00 1.34 0.00 0.00 72.50 69.84 1ni2 s THR 214 CO 0.00 0.48 1.43 -1.81 -0.54 0.00 0.00 174.62 174.18 1ni2 s ASP 215 N -0.57 6.72 0.32 3.99 1.01 -1.26 -2.55 116.67 124.33 1ni2 s ASP 215 Ca 0.30 2.55 -0.03 0.00 0.71 0.00 0.00 52.55 56.07 1ni2 s ASP 215 Cb -0.19 -2.61 -0.00 0.00 1.01 0.00 0.00 42.92 41.13 1ni2 s ASP 215 CO 0.17 -0.68 0.45 -0.76 0.21 0.00 0.00 175.17 174.56 1ni2 s LEU 216 N 0.19 0.95 -0.07 1.23 1.43 0.23 -3.83 118.68 118.81 1ni2 s LEU 216 Ca 0.62 -1.41 0.05 0.00 -1.03 0.00 0.00 54.13 52.35 1ni2 s LEU 216 Cb -0.40 1.42 -0.01 0.00 0.03 0.00 0.00 46.19 47.22 1ni2 s LEU 216 CO 0.38 -1.24 -0.21 0.26 0.23 0.00 0.00 176.35 175.77 1ni2 s TRP 217 N -3.26 2.56 -0.15 0.29 0.52 -0.16 -1.01 118.94 117.74 1ni2 s TRP 217 Ca 0.30 -0.61 -0.05 0.00 0.02 0.00 0.00 56.10 55.76 1ni2 s TRP 217 Cb 0.00 -1.65 -0.04 0.00 -1.15 0.00 0.00 33.47 30.64 1ni2 s TRP 217 CO 0.18 -0.14 0.04 -1.17 0.02 0.00 0.00 176.95 175.88 1ni2 s LEU 218 N -0.18 3.72 -0.12 2.99 2.96 0.25 -0.16 118.68 128.14 1ni2 s LEU 218 Ca -0.02 0.10 0.02 0.00 -0.22 0.00 0.00 54.13 54.01 1ni2 s LEU 218 Cb -0.14 -1.91 -0.00 0.00 0.50 0.00 0.00 46.19 44.65 1ni2 s LEU 218 CO 0.04 0.25 -0.20 -0.83 -1.32 0.00 0.00 176.35 174.29 1ni2 s GLY 219 N -0.10 1.40 -0.19 7.98 0.00 -0.14 -0.99 107.32 115.28 1ni2 s GLY 219 Ca 0.06 -0.99 -0.01 0.00 0.00 0.00 0.00 44.72 43.77 1ni2 s GLY 219 CO 0.01 -0.18 -0.13 0.14 0.00 0.00 0.00 173.10 172.95 1ni2 s VAL 220 N 0.53 2.72 0.17 1.40 1.01 -0.65 -1.28 120.40 124.30 1ni2 s VAL 220 Ca -0.13 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.16 1ni2 s VAL 220 Cb -0.17 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 1ni2 s VAL 220 CO 0.05 0.49 0.16 -0.90 0.00 0.00 0.00 175.10 174.89 1ni2 n ASP 221 N 4.54 -0.42 -0.00 3.32 5.68 -0.04 -1.98 116.55 127.66 1ni2 n ASP 221 Ca -0.19 -2.07 -0.00 0.00 -0.50 0.00 0.00 54.79 52.02 1ni2 n ASP 221 Cb 0.51 0.92 0.29 0.00 -1.14 0.00 0.00 41.12 41.69 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 1.57 1.34 0.00 2.12 0.00 -1.85 -2.73 119.26 119.71 1ni2 h ALA 222 Ca -0.12 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1ni2 h ALA 222 Cb 0.60 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1ni2 h ALA 222 CO 0.17 0.45 -0.22 1.28 0.00 0.00 0.00 179.25 180.93 1ni2 n LEU 223 N -4.26 0.46 0.00 0.00 4.77 -1.26 -4.72 117.00 111.99 1ni2 n LEU 223 Ca 0.01 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1ni2 n LEU 223 Cb 0.26 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1ni2 n LEU 223 CO 0.39 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1ni2 n GLY 224 N 1.41 0.50 3.55 -0.72 0.00 -1.03 -1.79 105.19 107.11 1ni2 n GLY 224 Ca 0.06 -1.43 -0.25 0.00 0.00 0.00 0.00 46.02 44.40 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 2.80 0.01 0.99 1.43 -0.95 -0.86 118.68 122.10 1ni2 s LEU 225 Ca 0.00 -1.02 -0.10 0.00 -1.03 0.00 0.00 54.13 51.97 1ni2 s LEU 225 Cb 0.00 -1.21 0.01 0.00 0.03 0.00 0.00 46.19 45.02 1ni2 s LEU 225 CO 0.00 -0.10 0.21 0.20 0.23 0.00 0.00 176.35 176.89 1ni2 s ASN 226 N -3.61 -0.04 -0.11 2.29 0.01 -0.40 -0.93 114.94 112.16 1ni2 s ASN 226 Ca 0.32 -0.18 0.02 0.00 -0.71 0.00 0.00 52.86 52.31 1ni2 s ASN 226 Cb -0.02 0.27 -0.01 0.00 0.41 0.00 0.00 41.25 41.90 1ni2 s ASN 226 CO 0.17 -0.47 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.49 1ni2 s ILE 227 N -1.83 2.68 0.13 0.60 -1.09 0.74 -0.96 121.20 121.46 1ni2 s ILE 227 Ca -0.11 -0.81 0.08 0.00 -2.23 0.00 0.00 60.65 57.59 1ni2 s ILE 227 Cb -0.04 -2.08 -0.04 0.00 -1.58 0.00 0.00 42.46 38.72 1ni2 s ILE 227 CO 0.00 0.54 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.76 1ni2 s TYR 228 N 0.22 1.77 0.23 3.97 1.51 0.78 0.19 117.35 126.01 1ni2 s TYR 228 Ca -0.11 -0.45 -0.30 0.00 -1.01 0.00 0.00 57.07 55.20 1ni2 s TYR 228 Cb -0.16 -0.93 -0.09 0.00 -0.11 0.00 0.00 41.96 40.68 1ni2 s TYR 228 CO 0.06 0.26 1.22 -1.21 -1.11 0.00 0.00 175.55 174.77 1ni2 s GLU 229 N -2.38 4.48 0.59 -0.62 0.41 -1.25 -0.98 118.70 118.95 1ni2 s GLU 229 Ca 0.11 1.94 0.30 0.00 -0.41 0.00 0.00 54.97 56.91 1ni2 s GLU 229 Cb -0.08 -3.20 1.30 0.00 -1.78 0.00 0.00 34.13 30.38 1ni2 s GLU 229 CO 0.05 -0.07 1.66 -0.22 -0.49 0.00 0.00 175.26 176.19 1ni2 h LYS 230 N 4.72 0.00 -0.25 1.61 1.63 -1.88 0.26 116.57 122.67 1ni2 h LYS 230 Ca -0.46 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 1ni2 h LYS 230 Cb 1.22 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.85 1ni2 h LYS 230 CO 0.72 0.00 0.00 -0.40 -3.45 0.00 0.00 179.45 176.32 1ni2 n ASP 231 N -3.59 2.98 -3.41 4.20 5.75 -1.26 -4.79 116.55 116.44 1ni2 n ASP 231 Ca 0.17 -1.93 -0.20 0.00 -0.01 0.00 0.00 54.79 52.82 1ni2 n ASP 231 Cb 1.10 -0.15 -0.10 0.00 -1.03 0.00 0.00 41.12 40.94 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 -1.66 1.84 0.05 -1.12 2.15 0.92 -4.97 116.67 113.90 1ni2 s ASP 232 Ca 0.35 -1.42 0.27 0.00 0.43 0.00 0.00 52.55 52.18 1ni2 s ASP 232 Cb 0.21 0.30 0.89 0.00 -0.30 0.00 0.00 42.92 44.02 1ni2 s ASP 232 CO 0.31 -0.32 1.72 0.29 -0.17 0.00 0.00 175.17 176.99 1ni2 n LYS 233 N 4.61 0.08 0.04 4.34 5.02 -1.26 -3.90 118.16 127.09 1ni2 n LYS 233 Ca 0.06 0.05 -0.20 0.00 -2.02 0.00 0.00 58.31 56.20 1ni2 n LYS 233 Cb 0.44 -1.58 -0.10 0.00 -0.02 0.00 0.00 35.03 33.76 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 0.00 0.90 -7.99 -0.35 4.07 -1.93 -3.44 115.31 106.58 1ni2 h LEU 234 Ca 0.00 -0.73 -0.67 0.00 0.08 0.00 0.00 57.88 56.56 1ni2 h LEU 234 Cb 0.57 -0.28 -0.36 0.00 1.08 0.00 0.00 40.66 41.68 1ni2 h LEU 234 CO 0.00 1.52 -0.83 -0.89 -1.08 0.00 0.00 178.44 177.16 1ni2 s THR 235 N -3.34 2.15 0.30 0.22 2.01 -1.26 -4.88 115.64 110.84 1ni2 s THR 235 Ca -0.10 -1.24 -0.29 0.00 0.31 0.00 0.00 61.69 60.37 1ni2 s THR 235 Cb 0.07 -2.07 -0.10 0.00 0.01 0.00 0.00 72.50 70.41 1ni2 s THR 235 CO 0.92 0.28 1.42 -2.84 -0.69 0.00 0.00 174.62 173.71 1ni2 s PRO 236 N 1.21 4.26 0.07 4.92 0.02 -1.26 -4.64 135.00 139.58 1ni2 s PRO 236 Ca -0.01 2.34 -0.14 0.00 0.02 0.00 0.00 61.00 63.21 1ni2 s PRO 236 Cb -0.16 -3.07 -0.26 0.00 0.02 0.00 0.00 34.50 31.03 1ni2 s PRO 236 CO -0.09 -0.38 1.15 -0.22 -0.33 0.00 0.00 177.00 177.12 1ni2 h LYS 237 N 4.18 0.66 -3.38 5.54 3.64 0.16 -3.46 116.57 123.93 1ni2 h LYS 237 Ca -0.48 -0.80 -0.27 0.00 -1.27 0.00 0.00 60.65 57.83 1ni2 h LYS 237 Cb 1.22 0.25 -0.33 0.00 -0.41 0.00 0.00 32.23 32.96 1ni2 h LYS 237 CO 0.72 1.36 -0.66 0.42 -2.27 0.00 0.00 179.45 179.01 1ni2 s ILE 238 N -3.15 -0.06 -0.08 2.00 1.01 -1.07 -4.98 121.20 114.87 1ni2 s ILE 238 Ca -0.10 0.21 0.05 0.00 0.00 0.00 0.00 60.65 60.81 1ni2 s ILE 238 Cb 0.06 -0.16 -0.00 0.00 0.01 0.00 0.00 42.46 42.36 1ni2 s ILE 238 CO 0.93 0.09 -0.24 -0.83 0.00 0.00 0.00 174.94 174.89 1ni2 s GLY 239 N 1.19 1.27 -0.39 6.18 0.00 -1.26 -0.19 107.32 114.12 1ni2 s GLY 239 Ca -0.08 -0.96 0.03 0.00 0.00 0.00 0.00 44.72 43.71 1ni2 s GLY 239 CO -0.04 -0.43 0.12 -1.36 0.00 0.00 0.00 173.10 171.38 1ni2 s PHE 240 N 0.14 3.22 0.99 1.90 0.40 -0.10 -5.00 117.98 119.53 1ni2 s PHE 240 Ca -0.12 -2.84 -0.12 0.00 -0.60 0.00 0.00 56.93 53.25 1ni2 s PHE 240 Cb -0.16 -2.66 0.14 0.00 0.51 0.00 0.00 43.02 40.85 1ni2 s PHE 240 CO 0.06 -0.87 0.84 -2.30 0.70 0.00 0.00 175.22 173.65 1ni2 n PRO 241 N 3.98 -0.88 0.09 0.24 -0.02 -1.26 -2.25 135.00 134.90 1ni2 n PRO 241 Ca 0.04 -0.21 -0.13 0.00 -2.02 0.00 0.00 63.50 61.18 1ni2 n PRO 241 Cb 0.39 -2.15 -0.08 0.00 -0.02 0.00 0.00 33.50 31.64 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 -1.98 -0.20 -0.39 6.00 -0.00 -1.70 -2.38 115.95 115.31 1ni2 h TRP 242 Ca -0.47 -0.00 0.11 0.00 -0.00 0.00 0.00 58.89 58.52 1ni2 h TRP 242 Cb 1.29 0.07 -0.02 0.00 -0.00 0.00 0.00 29.16 30.50 1ni2 h TRP 242 CO 0.40 0.06 0.57 0.66 -0.00 0.00 0.00 178.44 180.13 1ni2 h SER 243 N -0.46 0.00 -0.34 -3.49 4.64 -1.92 0.46 113.55 112.45 1ni2 h SER 243 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1ni2 h SER 243 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1ni2 h SER 243 CO 0.04 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.38 1ni2 n GLU 244 N -3.38 2.26 -3.97 4.77 1.02 -0.96 -4.86 120.64 115.53 1ni2 n GLU 244 Ca 0.07 -2.06 -0.34 0.00 -0.02 0.00 0.00 57.16 54.81 1ni2 n GLU 244 Cb 0.72 -1.40 -0.14 0.00 -0.02 0.00 0.00 31.44 30.60 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 -1.22 2.89 -0.01 -3.67 2.07 0.16 -2.18 121.20 119.23 1ni2 s ILE 245 Ca 0.31 -0.87 -0.14 0.00 -1.41 0.00 0.00 60.65 58.55 1ni2 s ILE 245 Cb 0.18 -2.39 -0.08 0.00 0.13 0.00 0.00 42.46 40.30 1ni2 s ILE 245 CO 0.24 0.31 0.71 -0.09 -1.91 0.00 0.00 174.94 174.21 1ni2 h ARG 246 N 8.03 -0.47 -2.35 3.50 2.43 0.86 -3.44 114.38 122.93 1ni2 h ARG 246 Ca -0.37 0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 58.77 1ni2 h ARG 246 Cb 1.13 0.11 -0.23 0.00 -0.42 0.00 0.00 29.97 30.55 1ni2 h ARG 246 CO 0.59 -0.31 -0.12 1.21 -1.51 0.00 0.00 179.97 179.83 1ni2 s ASN 247 N -4.08 -0.68 -0.27 -3.80 3.84 -0.89 -4.97 114.94 104.09 1ni2 s ASN 247 Ca -0.07 1.17 0.03 0.00 0.21 0.00 0.00 52.86 54.20 1ni2 s ASN 247 Cb 0.01 1.09 0.06 0.00 -0.55 0.00 0.00 41.25 41.86 1ni2 s ASN 247 CO 0.21 -0.21 -0.09 -0.51 -2.79 0.00 0.00 177.10 173.72 1ni2 s ILE 248 N 1.14 2.22 0.31 -5.21 2.07 -1.26 0.50 121.20 120.98 1ni2 s ILE 248 Ca -0.07 -1.71 0.02 0.00 -1.41 0.00 0.00 60.65 57.48 1ni2 s ILE 248 Cb -0.06 -2.35 -0.01 0.00 0.13 0.00 0.00 42.46 40.17 1ni2 s ILE 248 CO -0.11 -0.10 0.07 -0.24 -1.91 0.00 0.00 174.94 172.65 1ni2 n SER 249 N 4.42 1.69 -3.57 4.50 2.88 -1.07 -4.96 113.62 117.51 1ni2 n SER 249 Ca -0.12 -2.57 -0.17 0.00 -1.33 0.00 0.00 58.87 54.69 1ni2 n SER 249 Cb 0.42 0.60 -0.07 0.00 -0.75 0.00 0.00 64.21 64.41 1ni2 n SER 249 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1ni2 s PHE 250 N -2.55 -0.60 0.00 0.66 -0.12 -1.26 -1.32 117.98 112.79 1ni2 s PHE 250 Ca 0.11 1.11 0.00 0.00 -0.05 0.00 0.00 56.93 58.09 1ni2 s PHE 250 Cb 0.01 0.34 0.00 0.00 -0.63 0.00 0.00 43.02 42.74 1ni2 s PHE 250 CO 0.07 -0.54 0.00 -1.71 -0.05 0.00 0.00 175.22 172.99 1ni2 n ASN 251 N 1.24 0.00 -0.02 1.98 5.15 -1.13 -4.95 115.26 117.52 1ni2 n ASN 251 Ca -0.19 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 53.78 1ni2 n ASN 251 Cb 0.57 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.81 1ni2 n ASN 251 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 1ni2 h ASP 252 N 0.00 0.00 0.00 1.20 1.82 -2.02 -3.44 116.42 113.99 1ni2 h ASP 252 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1ni2 h ASP 252 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1ni2 h ASP 252 CO 0.00 0.24 0.00 0.29 -1.61 0.00 0.00 179.24 178.16 1ni2 n LYS 253 N -3.05 0.63 -2.89 0.28 5.02 -1.26 -4.95 118.16 111.94 1ni2 n LYS 253 Ca -0.02 -0.65 -0.44 0.00 -2.02 0.00 0.00 58.31 55.19 1ni2 n LYS 253 Cb 0.06 -0.69 -0.00 0.00 -0.02 0.00 0.00 35.03 34.39 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 -0.25 4.07 0.25 1.97 2.20 -1.26 -3.65 119.74 123.06 1ni2 s LYS 254 Ca 0.00 -2.48 -0.30 0.00 -0.36 0.00 0.00 55.97 52.83 1ni2 s LYS 254 Cb 0.00 -5.13 -0.09 0.00 -1.51 0.00 0.00 37.83 31.10 1ni2 s LYS 254 CO 0.00 -1.84 1.04 -0.06 -0.36 0.00 0.00 175.35 174.13 1ni2 s PHE 255 N 1.99 3.72 -0.03 4.03 0.40 -0.93 -2.83 117.98 124.33 1ni2 s PHE 255 Ca 0.44 1.76 -0.00 0.00 -0.60 0.00 0.00 56.93 58.53 1ni2 s PHE 255 Cb -0.02 -3.18 0.03 0.00 0.51 0.00 0.00 43.02 40.36 1ni2 s PHE 255 CO 0.01 -0.20 0.02 0.08 0.70 0.00 0.00 175.22 175.82 1ni2 s VAL 256 N -1.01 0.09 -0.25 -0.44 1.01 -0.43 -2.80 120.40 116.56 1ni2 s VAL 256 Ca 0.44 0.17 -0.08 0.00 0.00 0.00 0.00 61.98 62.51 1ni2 s VAL 256 Cb -0.29 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 1ni2 s VAL 256 CO 0.37 0.14 0.09 0.27 0.00 0.00 0.00 175.10 175.97 1ni2 s ILE 257 N 1.26 4.47 -0.16 2.22 -4.36 -1.24 -2.59 121.20 120.82 1ni2 s ILE 257 Ca -0.06 -0.12 -0.17 0.00 -0.26 0.00 0.00 60.65 60.04 1ni2 s ILE 257 Cb -0.13 -3.10 -0.04 0.00 1.25 0.00 0.00 42.46 40.44 1ni2 s ILE 257 CO -0.02 0.32 0.44 -0.54 0.24 0.00 0.00 174.94 175.38 1ni2 s LYS 258 N 1.64 4.27 0.72 0.37 3.01 0.18 -4.29 119.74 125.64 1ni2 s LYS 258 Ca 0.06 0.33 -0.13 0.00 -1.01 0.00 0.00 55.97 55.23 1ni2 s LYS 258 Cb -0.15 -3.48 0.03 0.00 -1.01 0.00 0.00 37.83 33.22 1ni2 s LYS 258 CO 0.05 0.08 1.11 -2.14 0.51 0.00 0.00 175.35 174.96 1ni2 s PRO 259 N 0.91 2.46 0.09 -1.68 0.02 -1.26 0.12 135.00 135.66 1ni2 s PRO 259 Ca 0.23 1.33 -0.27 0.00 0.02 0.00 0.00 61.00 62.31 1ni2 s PRO 259 Cb -0.15 -1.91 -0.15 0.00 0.02 0.00 0.00 34.50 32.31 1ni2 s PRO 259 CO 0.09 -1.50 1.69 0.82 -0.33 0.00 0.00 177.00 177.76 1ni2 h ILE 260 N -0.53 0.69 -3.12 2.83 1.08 -1.73 -3.32 117.51 113.41 1ni2 h ILE 260 Ca -0.45 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.02 1ni2 h ILE 260 Cb 1.24 0.69 0.00 0.00 -3.07 0.00 0.00 36.82 35.69 1ni2 h ILE 260 CO 0.52 0.00 0.00 -0.67 -0.69 0.00 0.00 178.15 177.31 1ni2 n ASP 261 N -5.27 1.44 -4.21 1.72 2.03 -1.26 -4.84 116.55 106.17 1ni2 n ASP 261 Ca -0.09 -0.12 -0.43 0.00 0.52 0.00 0.00 54.79 54.67 1ni2 n ASP 261 Cb 0.18 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 1ni2 n ASP 261 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1ni2 n LYS 262 N -0.03 3.37 -0.02 -0.67 3.00 -1.26 -4.63 118.16 117.90 1ni2 n LYS 262 Ca 0.00 -3.52 -0.00 0.00 -0.00 0.00 0.00 58.31 54.79 1ni2 n LYS 262 Cb 0.00 -3.10 -0.00 0.00 0.00 0.00 0.00 35.03 31.93 1ni2 n LYS 262 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1ni2 h LYS 263 N 6.63 0.00 0.00 1.64 3.64 -1.95 -3.49 116.57 123.04 1ni2 h LYS 263 Ca 0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1ni2 h LYS 263 Cb 0.77 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1ni2 h LYS 263 CO 1.47 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 178.65 1ni2 n ALA 264 N -2.36 0.00 0.00 5.00 0.00 -1.26 -5.01 120.51 116.87 1ni2 n ALA 264 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ni2 n ALA 264 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ni2 n ALA 264 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1ni2 n PRO 265 N 0.00 0.00 0.00 0.00 -0.02 -1.26 -4.70 135.00 129.02 1ni2 n PRO 265 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1ni2 n PRO 265 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1ni2 n PRO 265 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1ni2 n ASP 266 N 0.00 0.00 -2.97 2.55 2.03 -1.26 -4.97 116.55 111.93 1ni2 n ASP 266 Ca 0.00 0.03 -0.15 0.00 0.52 0.00 0.00 54.79 55.19 1ni2 n ASP 266 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 1ni2 n ASP 266 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1ni2 n PHE 267 N -0.07 0.17 -3.75 -0.67 -0.00 -1.26 -5.06 117.46 106.82 1ni2 n PHE 267 Ca 0.00 -1.51 -0.24 0.00 -0.00 0.00 0.00 57.45 55.71 1ni2 n PHE 267 Cb 0.00 -0.03 -0.17 0.00 -0.00 0.00 0.00 39.48 39.27 1ni2 n PHE 267 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1ni2 s VAL 268 N -2.37 0.36 0.17 1.97 1.01 -1.25 -3.62 120.40 116.66 1ni2 s VAL 268 Ca 0.10 0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.14 1ni2 s VAL 268 Cb 0.00 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 1ni2 s VAL 268 CO 0.07 0.15 0.13 0.72 0.00 0.00 0.00 175.10 176.18 1ni2 s PHE 269 N 1.97 3.14 -0.03 5.22 -0.12 -1.12 -3.95 117.98 123.08 1ni2 s PHE 269 Ca 0.04 -0.02 0.06 0.00 -0.05 0.00 0.00 56.93 56.95 1ni2 s PHE 269 Cb -0.13 -1.50 -0.02 0.00 -0.63 0.00 0.00 43.02 40.73 1ni2 s PHE 269 CO -0.06 0.52 -0.20 0.71 -0.05 0.00 0.00 175.22 176.14 1ni2 s TYR 270 N -1.76 2.50 0.12 3.49 2.02 0.64 -2.19 117.35 122.18 1ni2 s TYR 270 Ca 0.31 -0.31 0.08 0.00 -0.37 0.00 0.00 57.07 56.78 1ni2 s TYR 270 Cb -0.10 -1.55 -0.04 0.00 -0.40 0.00 0.00 41.96 39.87 1ni2 s TYR 270 CO 0.23 0.08 -0.11 0.00 -1.57 0.00 0.00 175.55 174.18 1ni2 s ALA 271 N -0.68 2.93 0.00 3.71 0.00 -1.24 -2.31 121.76 124.16 1ni2 s ALA 271 Ca 0.11 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.78 1ni2 s ALA 271 Cb -0.10 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.17 1ni2 s ALA 271 CO -0.00 0.61 0.00 -2.30 0.00 0.00 0.00 175.76 174.07 1ni2 n PRO 272 N 0.61 0.00 -2.18 0.00 -0.02 -1.26 -4.87 135.00 127.27 1ni2 n PRO 272 Ca -0.13 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.07 1ni2 n PRO 272 Cb 0.53 -0.50 0.05 0.00 -0.02 0.00 0.00 33.50 33.56 1ni2 n PRO 272 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1ni2 s ARG 273 N -0.00 2.58 0.20 -0.52 0.52 -1.26 -4.99 118.95 115.48 1ni2 s ARG 273 Ca 0.00 0.02 0.23 0.00 -0.52 0.00 0.00 55.73 55.46 1ni2 s ARG 273 Cb 0.00 -2.16 0.15 0.00 0.52 0.00 0.00 34.95 33.46 1ni2 s ARG 273 CO 0.00 -1.03 1.20 1.25 0.02 0.00 0.00 175.30 176.74 1ni2 h LEU 274 N -0.49 0.00 -0.01 2.53 5.85 -1.94 -3.19 115.31 118.05 1ni2 h LEU 274 Ca -0.45 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.20 1ni2 h LEU 274 Cb 1.28 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 1ni2 h LEU 274 CO 0.62 0.04 0.01 -0.09 -0.34 0.00 0.00 178.44 178.67 1ni2 h ARG 275 N 0.00 0.02 0.80 1.25 2.43 -2.00 -2.55 114.38 114.32 1ni2 h ARG 275 Ca 0.00 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1ni2 h ARG 275 Cb 0.91 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.47 1ni2 h ARG 275 CO 0.00 0.07 -0.38 0.82 -1.51 0.00 0.00 179.97 178.97 1ni2 h ILE 276 N -0.04 0.18 -0.11 1.20 2.04 -1.98 -2.65 117.51 116.15 1ni2 h ILE 276 Ca 0.01 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.83 1ni2 h ILE 276 Cb 0.05 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.33 1ni2 h ILE 276 CO -0.00 0.01 0.56 0.78 0.00 0.00 0.00 178.15 179.50 1ni2 h ASN 277 N -1.12 0.00 0.27 1.72 -0.26 -1.53 0.16 115.58 114.81 1ni2 h ASN 277 Ca -0.11 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.62 1ni2 h ASN 277 Cb 0.83 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.09 1ni2 h ASN 277 CO 0.18 0.00 -0.13 0.11 -1.06 0.00 0.00 177.43 176.53 1ni2 h LYS 278 N 0.00 -0.35 -0.72 0.81 1.57 -1.08 -2.97 116.57 113.84 1ni2 h LYS 278 Ca 0.05 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.92 1ni2 h LYS 278 Cb 1.18 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 33.51 1ni2 h LYS 278 CO -0.00 -0.09 0.41 -0.09 -0.57 0.00 0.00 179.45 179.10 1ni2 h ARG 279 N -1.03 0.71 -0.50 3.15 2.43 -0.99 -1.96 114.38 116.20 1ni2 h ARG 279 Ca -0.04 -0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.19 1ni2 h ARG 279 Cb 0.41 -0.16 -0.10 0.00 -0.42 0.00 0.00 29.97 29.70 1ni2 h ARG 279 CO 0.06 0.47 -0.14 0.82 -1.51 0.00 0.00 179.97 179.67 1ni2 h ILE 280 N 0.74 0.47 -0.54 1.20 2.04 -1.27 -0.57 117.51 119.57 1ni2 h ILE 280 Ca 0.32 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.15 1ni2 h ILE 280 Cb 0.21 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 1ni2 h ILE 280 CO -0.19 0.00 0.19 0.25 0.00 0.00 0.00 178.15 178.40 1ni2 h LEU 281 N -0.02 0.77 -0.55 1.44 5.85 -1.19 -2.25 115.31 119.36 1ni2 h LEU 281 Ca 0.24 -0.19 -0.12 0.00 0.84 0.00 0.00 57.88 58.66 1ni2 h LEU 281 Cb 0.39 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1ni2 h LEU 281 CO -0.53 0.75 -0.12 0.06 -0.34 0.00 0.00 178.44 178.26 1ni2 h GLN 282 N 0.74 1.04 -0.27 1.25 3.07 -1.07 0.10 115.11 119.96 1ni2 h GLN 282 Ca 0.18 -0.39 0.02 0.00 0.09 0.00 0.00 58.65 58.54 1ni2 h GLN 282 Cb 0.24 -0.06 -0.02 0.00 0.08 0.00 0.00 27.48 27.71 1ni2 h GLN 282 CO -0.01 1.08 0.13 -0.07 0.09 0.00 0.00 178.83 180.06 1ni2 h LEU 283 N 0.92 0.20 0.21 0.06 3.38 -1.01 0.40 115.31 119.46 1ni2 h LEU 283 Ca 0.14 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1ni2 h LEU 283 Cb 0.69 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1ni2 h LEU 283 CO 0.05 0.15 -0.20 0.00 0.09 0.00 0.00 178.44 178.53 1ni2 h MET 285 N -0.44 -0.46 -0.60 0.00 2.86 -0.41 0.43 114.93 116.30 1ni2 h MET 285 Ca -0.00 0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1ni2 h MET 285 Cb 0.41 0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.14 1ni2 h MET 285 CO -0.05 -0.31 0.38 0.78 1.06 0.00 0.00 176.91 178.78 1ni2 h GLY 286 N -0.48 0.86 0.94 8.32 0.00 -0.06 -1.86 103.07 110.79 1ni2 h GLY 286 Ca 0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 1ni2 h GLY 286 CO -0.51 0.26 0.14 3.43 0.00 0.00 0.00 176.54 179.87 1ni2 h ASN 287 N 0.76 0.54 -0.95 0.19 2.35 -0.07 -1.55 115.58 116.86 1ni2 h ASN 287 Ca 0.24 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1ni2 h ASN 287 Cb -0.02 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.16 1ni2 h ASN 287 CO -0.08 0.57 0.61 -0.74 -1.65 0.00 0.00 177.43 176.14 1ni2 h HIS 288 N 0.48 1.22 -0.48 1.19 2.76 0.13 -1.25 115.15 119.20 1ni2 h HIS 288 Ca 0.13 0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.18 1ni2 h HIS 288 Cb 0.21 -0.41 -0.01 0.00 1.55 0.00 0.00 27.41 28.75 1ni2 h HIS 288 CO 0.00 0.79 -0.21 1.49 -1.30 0.00 0.00 177.93 178.70 1ni2 h GLU 289 N 1.30 0.97 0.00 5.26 4.22 -1.16 -2.34 114.58 122.83 1ni2 h GLU 289 Ca 0.35 -0.41 -0.07 0.00 0.08 0.00 0.00 59.36 59.31 1ni2 h GLU 289 Cb -0.11 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1ni2 h GLU 289 CO -0.07 1.08 -0.32 -0.07 -2.18 0.00 0.00 179.01 177.45 1ni2 h LEU 290 N 0.84 0.00 0.03 1.64 3.38 -1.00 -2.75 115.31 117.45 1ni2 h LEU 290 Ca 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1ni2 h LEU 290 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1ni2 h LEU 290 CO 0.06 0.32 -0.01 0.22 0.09 0.00 0.00 178.44 179.13 1ni2 h TYR 291 N 0.00 -0.03 0.01 1.13 3.20 -0.91 -3.14 116.97 117.22 1ni2 h TYR 291 Ca -0.00 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 1ni2 h TYR 291 Cb 0.90 0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.18 1ni2 h TYR 291 CO 0.00 0.21 -0.00 0.52 -1.64 0.00 0.00 178.16 177.25 1ni2 h MET 292 N -0.27 -0.01 -1.02 1.82 2.86 -1.31 -3.00 114.93 114.00 1ni2 h MET 292 Ca -0.00 0.00 0.27 0.00 -2.06 0.00 0.00 59.70 57.91 1ni2 h MET 292 Cb 0.25 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 31.79 1ni2 h MET 292 CO 0.01 0.08 0.61 0.00 1.06 0.00 0.00 176.91 178.67 1ni2 h ARG 293 N -0.09 0.48 0.00 1.72 3.08 -1.53 1.10 114.38 119.13 1ni2 h ARG 293 Ca -0.00 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1ni2 h ARG 293 Cb 0.09 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 1ni2 h ARG 293 CO 0.00 0.32 -0.03 0.00 -1.07 0.00 0.00 179.97 179.19 1ni2 h ARG 294 N 0.49 0.00 -0.24 0.04 3.08 -1.48 -2.81 114.38 113.46 1ni2 h ARG 294 Ca 0.66 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.66 1ni2 h ARG 294 Cb 1.39 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.42 1ni2 h ARG 294 CO -0.47 0.03 -0.02 0.54 -1.07 0.00 0.00 179.97 178.98 1ni2 n ARG 295 N -3.20 2.42 -1.63 0.04 1.74 0.37 -5.02 116.66 111.39 1ni2 n ARG 295 Ca -0.01 -2.89 -0.43 0.00 -0.77 0.00 0.00 57.85 53.75 1ni2 n ARG 295 Cb 0.20 -1.79 -0.03 0.00 -1.02 0.00 0.00 32.46 29.82 1ni2 n ARG 295 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1ni2 n LYS 296 N -0.80 2.37 0.00 5.56 4.81 -0.91 -5.05 118.16 124.14 1ni2 n LYS 296 Ca 0.23 0.76 0.10 0.00 -0.87 0.00 0.00 58.31 58.54 1ni2 n LYS 296 Cb 0.89 -3.15 0.62 0.00 0.02 0.00 0.00 35.03 33.42 1ni2 n LYS 296 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22