#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ni1 h TYR 24 N 0.00 0.91 -0.10 -1.77 3.20 -1.96 0.32 116.97 117.58 1ni1 h TYR 24 Ca 0.00 0.04 -0.17 0.00 3.14 0.00 0.00 58.73 61.74 1ni1 h TYR 24 Cb 0.00 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 1ni1 h TYR 24 CO 0.00 -0.21 -0.65 0.77 -1.64 0.00 0.00 178.16 176.43 1ni1 h SER 25 N 0.29 0.44 0.72 -2.11 0.02 -1.95 -2.99 113.55 107.96 1ni1 h SER 25 Ca 0.75 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 1ni1 h SER 25 Cb 1.74 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 64.15 1ni1 h SER 25 CO -0.63 0.97 -0.24 0.18 -1.14 0.00 0.00 176.83 175.97 1ni1 n LEU 26 N -3.87 0.27 -4.63 5.07 7.99 0.91 -4.88 117.00 117.85 1ni1 n LEU 26 Ca -0.03 0.23 -0.40 0.00 -0.01 0.00 0.00 56.01 55.80 1ni1 n LEU 26 Cb 0.66 -0.36 0.03 0.00 -0.11 0.00 0.00 43.42 43.63 1ni1 n LEU 26 CO 0.47 0.07 0.64 0.54 -1.51 0.00 0.00 177.39 177.59 1ni1 n ARG 27 N -1.46 1.31 -0.07 3.23 1.74 0.10 -4.91 116.66 116.59 1ni1 n ARG 27 Ca 0.07 0.48 -0.06 0.00 -0.77 0.00 0.00 57.85 57.56 1ni1 n ARG 27 Cb 0.33 -2.17 0.13 0.00 -1.02 0.00 0.00 32.46 29.73 1ni1 n ARG 27 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1ni1 h PRO 28 N 1.26 0.71 -0.73 5.56 0.11 -1.90 -3.00 132.00 134.01 1ni1 h PRO 28 Ca -0.47 -0.27 -0.02 0.00 0.11 0.00 0.00 66.00 65.35 1ni1 h PRO 28 Cb 1.34 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 1ni1 h PRO 28 CO 0.55 0.85 0.36 1.05 -0.21 0.00 0.00 178.00 180.60 1ni1 h GLU 29 N 0.63 1.04 -1.00 1.05 9.09 -1.94 -2.92 114.58 120.54 1ni1 h GLU 29 Ca 0.10 -0.14 0.32 0.00 0.05 0.00 0.00 59.36 59.69 1ni1 h GLU 29 Cb 0.67 -0.19 -0.18 0.00 -1.65 0.00 0.00 28.75 27.39 1ni1 h GLU 29 CO 0.05 0.80 0.20 1.25 0.05 0.00 0.00 179.01 181.36 1ni1 h HIS 30 N 1.04 0.25 -1.29 2.06 2.76 -1.81 0.44 115.15 118.59 1ni1 h HIS 30 Ca 0.25 0.06 0.37 0.00 -2.20 0.00 0.00 60.37 58.86 1ni1 h HIS 30 Cb 0.09 0.06 -0.06 0.00 1.55 0.00 0.00 27.41 29.05 1ni1 h HIS 30 CO 0.01 -0.45 0.92 0.00 -1.30 0.00 0.00 177.93 177.11 1ni1 h ALA 31 N 1.99 3.12 0.00 5.26 0.00 -1.67 1.35 119.26 129.31 1ni1 h ALA 31 Ca 0.69 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.57 1ni1 h ALA 31 Cb 1.59 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1ni1 h ALA 31 CO -0.87 -1.51 0.00 2.89 0.00 0.00 0.00 179.25 179.75 1ni1 n ARG 32 N -4.22 0.72 -0.11 0.00 1.85 0.15 -2.71 116.66 112.35 1ni1 n ARG 32 Ca 0.29 0.00 0.09 0.00 -1.00 0.00 0.00 57.85 57.23 1ni1 n ARG 32 Cb 1.33 -1.49 0.30 0.00 -1.05 0.00 0.00 32.46 31.56 1ni1 n ARG 32 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1ni1 n GLU 33 N -0.99 1.71 -0.44 2.89 -0.58 0.46 -4.93 120.64 118.77 1ni1 n GLU 33 Ca 0.17 -1.08 -0.22 0.00 -0.42 0.00 0.00 57.16 55.60 1ni1 n GLU 33 Cb 0.08 -1.34 0.20 0.00 -0.57 0.00 0.00 31.44 29.81 1ni1 n GLU 33 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1ni1 n ARG 34 N 0.33 -3.46 -3.16 3.49 5.12 -1.10 -3.95 116.66 113.92 1ni1 n ARG 34 Ca 0.14 -1.18 -0.39 0.00 -1.93 0.00 0.00 57.85 54.49 1ni1 n ARG 34 Cb 0.30 -1.32 -0.06 0.00 -1.16 0.00 0.00 32.46 30.22 1ni1 n ARG 34 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1ni1 s LEU 35 N 0.00 4.47 -0.63 0.55 2.96 -1.26 -4.99 118.68 119.78 1ni1 s LEU 35 Ca 0.51 1.28 -0.06 0.00 -0.22 0.00 0.00 54.13 55.64 1ni1 s LEU 35 Cb -0.07 -3.00 0.16 0.00 0.50 0.00 0.00 46.19 43.78 1ni1 s LEU 35 CO 0.41 0.14 0.48 -1.10 -1.32 0.00 0.00 176.35 174.96 1ni1 s GLN 36 N -0.49 2.74 0.00 1.98 -1.52 -1.26 -4.92 119.66 116.18 1ni1 s GLN 36 Ca 0.32 -2.36 0.00 0.00 -1.95 0.00 0.00 55.36 51.37 1ni1 s GLN 36 Cb -0.19 -3.90 0.00 0.00 -0.22 0.00 0.00 33.01 28.70 1ni1 s GLN 36 CO 0.19 -1.20 0.49 -0.40 -0.25 0.00 0.00 175.29 174.13 1ni1 n ASP 37 N 3.86 1.22 -3.31 5.90 3.85 -1.26 -4.79 116.55 122.02 1ni1 n ASP 37 Ca 0.06 -1.48 -0.24 0.00 -0.71 0.00 0.00 54.79 52.42 1ni1 n ASP 37 Cb 0.40 -0.37 -0.04 0.00 -1.35 0.00 0.00 41.12 39.76 1ni1 n ASP 37 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 1ni1 n ASP 38 N 0.29 -1.20 0.00 -1.12 8.00 -1.26 0.14 116.55 121.40 1ni1 n ASP 38 Ca 0.00 -0.60 0.00 0.00 0.71 0.00 0.00 54.79 54.90 1ni1 n ASP 38 Cb 0.24 -1.07 0.00 0.00 -0.02 0.00 0.00 41.12 40.27 1ni1 n ASP 38 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ni1 n SER 39 N -1.48 0.00 -4.42 -2.24 7.64 -1.26 -4.91 113.62 106.94 1ni1 n SER 39 Ca 0.07 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.55 1ni1 n SER 39 Cb 0.34 -2.15 -0.11 0.00 -1.01 0.00 0.00 64.21 61.28 1ni1 n SER 39 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ni1 s VAL 40 N -1.33 4.71 0.03 0.44 1.01 0.36 -5.08 120.40 120.54 1ni1 s VAL 40 Ca 0.00 -0.63 -0.19 0.00 0.00 0.00 0.00 61.98 61.16 1ni1 s VAL 40 Cb 0.00 -3.53 -0.06 0.00 0.00 0.00 0.00 36.38 32.79 1ni1 s VAL 40 CO 0.00 -0.12 0.56 -0.70 0.00 0.00 0.00 175.10 174.84 1ni1 s GLU 41 N 1.60 4.22 0.29 2.72 2.12 -1.26 -4.85 118.70 123.54 1ni1 s GLU 41 Ca 0.04 0.69 -0.04 0.00 0.36 0.00 0.00 54.97 56.02 1ni1 s GLU 41 Cb -0.18 -3.28 -0.01 0.00 0.26 0.00 0.00 34.13 30.91 1ni1 s GLU 41 CO 0.07 0.53 0.39 0.95 -0.54 0.00 0.00 175.26 176.66 1ni1 s THR 42 N -0.70 0.00 0.35 -1.70 -4.23 -1.26 -5.03 115.64 103.07 1ni1 s THR 42 Ca 0.29 -1.67 0.05 0.00 -1.18 0.00 0.00 61.69 59.17 1ni1 s THR 42 Cb -0.19 -2.50 0.18 0.00 1.34 0.00 0.00 72.50 71.34 1ni1 s THR 42 CO 0.17 0.00 1.91 0.58 -0.54 0.00 0.00 174.62 176.74 1ni1 h VAL 43 N 2.25 1.18 0.26 2.29 2.07 -1.98 -1.39 116.25 120.93 1ni1 h VAL 43 Ca -0.29 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 1ni1 h VAL 43 Cb 1.24 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1ni1 h VAL 43 CO 0.40 0.24 -0.13 0.74 0.02 0.00 0.00 177.57 178.85 1ni1 h THR 44 N 0.52 0.00 -0.48 2.57 2.02 -1.96 -1.97 112.91 113.61 1ni1 h THR 44 Ca 0.12 -0.06 0.10 0.00 0.77 0.00 0.00 66.41 67.33 1ni1 h THR 44 Cb 0.25 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.57 1ni1 h THR 44 CO 0.00 0.00 -0.09 0.77 0.37 0.00 0.00 175.52 176.57 1ni1 h SER 45 N -0.42 -0.39 -0.25 4.18 4.64 -1.93 -1.65 113.55 117.72 1ni1 h SER 45 Ca -0.04 0.14 0.06 0.00 -0.47 0.00 0.00 61.79 61.48 1ni1 h SER 45 Cb 0.27 0.28 -0.08 0.00 -0.31 0.00 0.00 62.40 62.56 1ni1 h SER 45 CO 0.06 -0.14 -0.42 0.40 -0.87 0.00 0.00 176.83 175.86 1ni1 h ILE 46 N 0.02 0.14 -0.26 0.95 2.04 -1.30 0.37 117.51 119.47 1ni1 h ILE 46 Ca 0.23 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.09 1ni1 h ILE 46 Cb 0.36 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 1ni1 h ILE 46 CO -0.47 0.00 0.13 -0.33 0.00 0.00 0.00 178.15 177.47 1ni1 h GLU 47 N -0.41 0.35 -0.08 2.37 4.39 -0.84 -0.44 114.58 119.92 1ni1 h GLU 47 Ca 0.10 -0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.63 1ni1 h GLU 47 Cb 0.60 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1ni1 h GLU 47 CO -0.47 0.28 -0.58 0.37 -1.16 0.00 0.00 179.01 177.44 1ni1 h GLN 48 N 0.36 0.26 -0.51 2.33 -0.00 -0.24 -2.96 115.11 114.35 1ni1 h GLN 48 Ca 0.09 -0.17 -0.03 0.00 -0.00 0.00 0.00 58.65 58.53 1ni1 h GLN 48 Cb 0.04 0.02 -0.02 0.00 0.00 0.00 0.00 27.48 27.52 1ni1 h GLN 48 CO -0.01 0.77 0.19 0.00 0.00 0.00 0.00 178.83 179.77 1ni1 h ALA 49 N 1.19 0.67 -0.81 3.38 0.00 0.13 0.06 119.26 123.87 1ni1 h ALA 49 Ca -0.00 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.82 1ni1 h ALA 49 Cb 1.08 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 1ni1 h ALA 49 CO 0.09 0.30 0.48 0.87 0.00 0.00 0.00 179.25 180.99 1ni1 h LYS 50 N 0.69 0.81 0.01 0.00 1.57 -1.18 -1.62 116.57 116.85 1ni1 h LYS 50 Ca 0.17 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.75 1ni1 h LYS 50 Cb 0.23 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 32.37 1ni1 h LYS 50 CO -0.01 0.54 -0.58 0.28 -0.57 0.00 0.00 179.45 179.10 1ni1 h VAL 51 N 0.84 1.44 -0.78 0.50 2.07 -1.38 -1.29 116.25 117.65 1ni1 h VAL 51 Ca 0.38 -2.10 0.08 0.00 0.82 0.00 0.00 66.70 65.88 1ni1 h VAL 51 Cb 0.28 2.65 -0.05 0.00 -1.52 0.00 0.00 31.29 32.65 1ni1 h VAL 51 CO -0.21 0.61 0.51 -0.33 0.02 0.00 0.00 177.57 178.16 1ni1 h GLU 52 N -0.16 0.74 0.07 1.57 5.08 -0.84 0.33 114.58 121.38 1ni1 h GLU 52 Ca -0.08 -0.04 -0.28 0.00 -1.00 0.00 0.00 59.36 57.96 1ni1 h GLU 52 Cb 1.31 -0.17 0.02 0.00 0.50 0.00 0.00 28.75 30.41 1ni1 h GLU 52 CO 0.11 0.49 -1.15 1.49 -1.00 0.00 0.00 179.01 178.96 1ni1 h GLU 53 N 0.76 0.56 0.52 2.33 4.57 -1.32 -2.41 114.58 119.59 1ni1 h GLU 53 Ca 0.35 -0.70 -0.02 0.00 -1.18 0.00 0.00 59.36 57.81 1ni1 h GLU 53 Cb 0.37 0.22 -0.00 0.00 -0.16 0.00 0.00 28.75 29.18 1ni1 h GLU 53 CO -0.13 1.30 -0.32 0.87 -1.18 0.00 0.00 179.01 179.55 1ni1 h LYS 54 N 0.27 -0.76 -0.96 1.92 1.57 0.07 -2.55 116.57 116.13 1ni1 h LYS 54 Ca -0.15 0.05 0.15 0.00 -1.87 0.00 0.00 60.65 58.83 1ni1 h LYS 54 Cb 1.81 0.17 -0.09 0.00 0.08 0.00 0.00 32.23 34.20 1ni1 h LYS 54 CO 0.21 -0.51 0.57 0.82 -0.57 0.00 0.00 179.45 179.98 1ni1 h ILE 55 N -0.79 0.80 -0.07 1.86 1.08 -0.50 -2.39 117.51 117.51 1ni1 h ILE 55 Ca -0.06 -0.28 0.02 0.00 -0.39 0.00 0.00 64.86 64.15 1ni1 h ILE 55 Cb 0.64 -0.09 -0.04 0.00 -3.07 0.00 0.00 36.82 34.26 1ni1 h ILE 55 CO 0.06 0.15 -0.36 -0.61 -0.69 0.00 0.00 178.15 176.70 1ni1 h GLN 56 N 0.82 -0.38 -0.90 2.37 5.75 -1.02 -1.41 115.11 120.35 1ni1 h GLN 56 Ca 0.52 0.03 0.27 0.00 -0.15 0.00 0.00 58.65 59.31 1ni1 h GLN 56 Cb 0.67 0.09 -0.17 0.00 1.07 0.00 0.00 27.48 29.14 1ni1 h GLN 56 CO -0.33 -0.26 0.10 0.39 -2.65 0.00 0.00 178.83 176.09 1ni1 n GLU 57 N -4.45 -0.07 0.18 1.69 1.02 -0.90 0.25 120.64 118.36 1ni1 n GLU 57 Ca -0.04 1.32 0.05 0.00 -0.02 0.00 0.00 57.16 58.48 1ni1 n GLU 57 Cb 0.25 -2.15 0.24 0.00 -0.02 0.00 0.00 31.44 29.76 1ni1 n GLU 57 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1ni1 h VAL 58 N 0.00 0.79 0.25 2.62 3.04 -1.40 0.11 116.25 121.66 1ni1 h VAL 58 Ca 0.58 -1.70 -0.01 0.00 -1.01 0.00 0.00 66.70 64.56 1ni1 h VAL 58 Cb 1.28 2.09 0.00 0.00 -2.01 0.00 0.00 31.29 32.65 1ni1 h VAL 58 CO -0.82 0.38 -0.12 -0.26 -1.01 0.00 0.00 177.57 175.75 1ni1 h PHE 59 N 0.00 -0.31 0.00 3.17 0.05 0.44 -3.12 116.94 117.16 1ni1 h PHE 59 Ca -0.00 -0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.78 1ni1 h PHE 59 Cb 1.06 0.10 0.00 0.00 2.00 0.00 0.00 35.95 39.11 1ni1 h PHE 59 CO 0.00 0.07 0.00 0.43 -0.18 0.00 0.00 178.31 178.63 1ni1 n SER 60 N -5.03 0.00 -0.20 2.17 7.64 0.03 -3.78 113.62 114.45 1ni1 n SER 60 Ca -0.09 -1.19 0.01 0.00 1.01 0.00 0.00 58.87 58.62 1ni1 n SER 60 Cb 0.26 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.58 1ni1 n SER 60 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1ni1 h SER 61 N 0.00 -0.01 0.08 6.43 0.87 -0.71 -1.72 113.55 118.50 1ni1 h SER 61 Ca 0.00 0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1ni1 h SER 61 Cb 0.00 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1ni1 h SER 61 CO 0.00 -0.00 -0.04 1.88 -0.53 0.00 0.00 176.83 178.14 1ni1 h TYR 62 N 0.25 -0.10 0.00 2.24 -1.99 -1.78 -1.48 116.97 114.10 1ni1 h TYR 62 Ca 0.33 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.05 1ni1 h TYR 62 Cb 0.49 0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.26 1ni1 h TYR 62 CO -0.25 -0.06 0.00 0.36 -0.00 0.00 0.00 178.16 178.20 1ni1 n LYS 63 N -2.30 0.00 -0.05 4.88 2.85 -1.16 -0.55 118.16 121.83 1ni1 n LYS 63 Ca -0.01 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.18 1ni1 n LYS 63 Cb 0.04 -1.00 -0.04 0.00 -0.65 0.00 0.00 35.03 33.39 1ni1 n LYS 63 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1ni1 n PHE 64 N -0.30 0.00 1.27 5.58 7.35 -0.66 -4.48 117.46 126.23 1ni1 n PHE 64 Ca 0.00 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.81 1ni1 n PHE 64 Cb 0.00 -0.35 0.41 0.00 0.35 0.00 0.00 39.48 39.90 1ni1 n PHE 64 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1ni1 n ASN 65 N -2.86 1.72 -3.15 -2.13 4.13 0.29 -4.93 115.26 108.33 1ni1 n ASN 65 Ca -0.16 -1.66 -0.07 0.00 1.68 0.00 0.00 54.58 54.37 1ni1 n ASN 65 Cb 0.66 -0.07 0.03 0.00 -1.54 0.00 0.00 39.78 38.86 1ni1 n ASN 65 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 1ni1 n HIS 66 N 0.35 -2.75 -4.02 3.10 8.25 0.13 -5.03 115.22 115.25 1ni1 n HIS 66 Ca 0.17 1.01 -0.10 0.00 -0.26 0.00 0.00 57.72 58.54 1ni1 n HIS 66 Cb 0.36 -4.12 -0.11 0.00 1.12 0.00 0.00 29.99 27.23 1ni1 n HIS 66 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1ni1 s LEU 67 N -4.65 2.29 -0.19 2.41 1.43 -1.05 -5.04 118.68 113.88 1ni1 s LEU 67 Ca 0.21 -0.60 -0.28 0.00 -1.03 0.00 0.00 54.13 52.44 1ni1 s LEU 67 Cb -0.03 0.04 -0.00 0.00 0.03 0.00 0.00 46.19 46.23 1ni1 s LEU 67 CO 0.75 -0.32 0.97 0.68 0.23 0.00 0.00 176.35 178.66 1ni1 s VAL 68 N -1.85 4.76 -0.12 -1.59 -7.23 -1.26 -4.36 120.40 108.74 1ni1 s VAL 68 Ca -0.10 1.92 -0.36 0.00 -1.81 0.00 0.00 61.98 61.63 1ni1 s VAL 68 Cb -0.07 -4.26 -0.13 0.00 0.56 0.00 0.00 36.38 32.48 1ni1 s VAL 68 CO -0.02 -0.08 1.81 -2.65 -0.31 0.00 0.00 175.10 173.85 1ni1 n PRO 69 N 5.73 1.86 -3.69 4.82 -0.02 -1.26 -4.96 135.00 137.49 1ni1 n PRO 69 Ca 0.09 0.68 -0.28 0.00 -2.02 0.00 0.00 63.50 61.97 1ni1 n PRO 69 Cb 0.47 -2.47 -0.16 0.00 -0.02 0.00 0.00 33.50 31.33 1ni1 n PRO 69 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1ni1 s ARG 70 N 3.62 0.55 -0.60 -0.52 3.52 -1.26 -5.11 118.95 119.16 1ni1 s ARG 70 Ca 0.93 -0.63 -0.24 0.00 -0.13 0.00 0.00 55.73 55.67 1ni1 s ARG 70 Cb -0.81 -1.88 0.05 0.00 -1.56 0.00 0.00 34.95 30.76 1ni1 s ARG 70 CO 0.55 -0.82 0.96 -0.51 -0.81 0.00 0.00 175.30 174.66 1ni1 s LEU 71 N 1.84 4.18 0.27 -0.88 1.02 -1.26 -4.99 118.68 118.86 1ni1 s LEU 71 Ca 0.04 -0.61 0.12 0.00 0.02 0.00 0.00 54.13 53.70 1ni1 s LEU 71 Cb -0.17 -2.65 -0.05 0.00 0.02 0.00 0.00 46.19 43.34 1ni1 s LEU 71 CO -0.19 -1.33 -0.20 0.68 0.02 0.00 0.00 176.35 175.33 1ni1 s VAL 72 N 4.06 2.50 -0.27 -1.59 -7.23 -1.26 -1.82 120.40 114.78 1ni1 s VAL 72 Ca 0.27 -2.34 -0.06 0.00 -1.81 0.00 0.00 61.98 58.05 1ni1 s VAL 72 Cb -0.14 -2.29 0.00 0.00 0.56 0.00 0.00 36.38 34.51 1ni1 s VAL 72 CO 0.15 -0.36 0.04 -0.22 -0.31 0.00 0.00 175.10 174.41 1ni1 s LEU 73 N -3.39 3.53 0.00 1.32 2.96 -1.26 -4.98 118.68 116.87 1ni1 s LEU 73 Ca 0.29 -0.58 -0.01 0.00 -0.22 0.00 0.00 54.13 53.61 1ni1 s LEU 73 Cb -0.05 -1.84 -0.05 0.00 0.50 0.00 0.00 46.19 44.75 1ni1 s LEU 73 CO 0.14 -0.13 1.07 0.00 -1.32 0.00 0.00 176.35 176.12 1ni1 n GLN 74 N 4.84 0.40 -0.26 1.98 1.13 -1.26 -4.61 117.38 119.60 1ni1 n GLN 74 Ca -0.16 -0.19 0.03 0.00 -1.94 0.00 0.00 57.00 54.75 1ni1 n GLN 74 Cb 0.49 -1.58 0.08 0.00 0.11 0.00 0.00 30.24 29.34 1ni1 n GLN 74 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1ni1 n ARG 75 N 2.76 -0.09 -0.32 -1.09 1.74 -1.26 0.82 116.66 119.22 1ni1 n ARG 75 Ca 0.08 1.10 -0.01 0.00 -0.77 0.00 0.00 57.85 58.26 1ni1 n ARG 75 Cb 0.18 -1.64 0.16 0.00 -1.02 0.00 0.00 32.46 30.14 1ni1 n ARG 75 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1ni1 h GLU 76 N 0.00 1.20 0.00 5.56 4.57 -1.99 0.51 114.58 124.43 1ni1 h GLU 76 Ca 0.31 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.37 1ni1 h GLU 76 Cb 0.49 -0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 1ni1 h GLU 76 CO -0.72 0.79 -0.26 -0.22 -1.18 0.00 0.00 179.01 177.42 1ni1 h LYS 77 N 1.23 0.00 0.01 1.92 1.63 0.07 -2.98 116.57 118.45 1ni1 h LYS 77 Ca 0.34 0.00 -0.24 0.00 -0.85 0.00 0.00 60.65 59.90 1ni1 h LYS 77 Cb -0.12 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.48 1ni1 h LYS 77 CO -0.08 0.26 -1.27 0.45 -3.45 0.00 0.00 179.45 175.36 1ni1 h HIS 78 N 0.00 0.03 -0.45 1.91 3.86 -0.81 -3.13 115.15 116.57 1ni1 h HIS 78 Ca -0.00 -0.02 -0.13 0.00 -1.16 0.00 0.00 60.37 59.06 1ni1 h HIS 78 Cb 1.10 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.56 1ni1 h HIS 78 CO 0.00 1.03 -0.21 0.35 0.86 0.00 0.00 177.93 179.95 1ni1 h PHE 79 N 0.00 1.07 0.05 2.45 3.57 -0.85 -1.92 116.94 121.32 1ni1 h PHE 79 Ca -0.12 -0.27 -0.24 0.00 3.53 0.00 0.00 57.97 60.87 1ni1 h PHE 79 Cb 1.87 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 40.36 1ni1 h PHE 79 CO 0.00 1.07 -1.05 0.45 -2.23 0.00 0.00 178.31 176.55 1ni1 h HIS 80 N 0.77 0.55 -0.96 0.41 3.86 -1.64 0.19 115.15 118.32 1ni1 h HIS 80 Ca 0.10 -0.33 0.03 0.00 -1.16 0.00 0.00 60.37 59.01 1ni1 h HIS 80 Cb 0.79 -0.05 -0.05 0.00 1.06 0.00 0.00 27.41 29.15 1ni1 h HIS 80 CO 0.06 1.19 0.63 -0.92 0.86 0.00 0.00 177.93 179.74 1ni1 h TYR 81 N 0.16 1.18 0.00 2.45 3.20 -1.53 -3.24 116.97 119.20 1ni1 h TYR 81 Ca -0.10 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.80 1ni1 h TYR 81 Cb 1.72 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 39.60 1ni1 h TYR 81 CO 0.06 0.69 -0.10 -0.07 -1.64 0.00 0.00 178.16 177.09 1ni1 h LEU 82 N 1.22 0.00 -0.31 2.82 3.38 -1.27 -3.15 115.31 118.00 1ni1 h LEU 82 Ca 0.38 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.40 1ni1 h LEU 82 Cb -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 1ni1 h LEU 82 CO -0.11 0.42 -0.11 1.17 0.09 0.00 0.00 178.44 179.90 1ni1 n LYS 83 N -4.03 -0.06 0.13 1.13 4.81 0.65 0.16 118.16 120.96 1ni1 n LYS 83 Ca -0.01 0.48 -0.23 0.00 -0.87 0.00 0.00 58.31 57.68 1ni1 n LYS 83 Cb 0.05 -0.71 -0.15 0.00 0.02 0.00 0.00 35.03 34.24 1ni1 n LYS 83 CO 0.00 0.00 0.00 0.07 1.17 0.00 0.00 177.40 178.64 1ni1 h ARG 84 N 0.00 0.47 -0.94 1.64 0.11 -1.75 -3.27 114.38 110.64 1ni1 h ARG 84 Ca 0.12 -0.80 0.23 0.00 0.10 0.00 0.00 59.98 59.63 1ni1 h ARG 84 Cb 0.20 0.30 -0.07 0.00 1.11 0.00 0.00 29.97 31.51 1ni1 h ARG 84 CO -0.31 1.38 0.62 0.78 0.10 0.00 0.00 179.97 182.54 1ni1 h GLY 85 N 0.56 0.83 1.11 0.08 0.00 0.17 0.84 103.07 106.65 1ni1 h GLY 85 Ca -0.24 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1ni1 h GLY 85 CO 0.25 -0.03 0.00 -0.10 0.00 0.00 0.00 176.54 176.66 1ni1 n LEU 86 N -4.50 0.00 0.00 3.11 7.94 -0.11 -2.89 117.00 120.55 1ni1 n LEU 86 Ca 0.21 0.05 0.00 0.00 -1.11 0.00 0.00 56.01 55.16 1ni1 n LEU 86 Cb 0.78 -0.05 0.00 0.00 0.53 0.00 0.00 43.42 44.67 1ni1 n LEU 86 CO 0.31 -0.03 -0.08 -1.14 -1.11 0.00 0.00 177.39 175.33 1ni1 n ARG 87 N -1.05 3.24 -3.63 1.96 3.00 0.28 -5.08 116.66 115.37 1ni1 n ARG 87 Ca 0.10 0.00 -0.06 0.00 -0.00 0.00 0.00 57.85 57.89 1ni1 n ARG 87 Cb 0.06 -0.41 -0.06 0.00 0.00 0.00 0.00 32.46 32.05 1ni1 n ARG 87 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 1ni1 s GLN 88 N -0.63 0.26 0.14 -0.14 0.74 -0.45 -5.13 119.66 114.46 1ni1 s GLN 88 Ca 0.00 0.22 -0.01 0.00 0.05 0.00 0.00 55.36 55.62 1ni1 s GLN 88 Cb 0.00 0.13 -0.04 0.00 1.10 0.00 0.00 33.01 34.20 1ni1 s GLN 88 CO 0.00 -0.05 0.07 -0.51 -0.55 0.00 0.00 175.29 174.25 1ni1 s LEU 89 N -0.27 1.69 0.82 3.68 1.43 -1.26 -4.04 118.68 120.74 1ni1 s LEU 89 Ca 0.05 -1.22 -0.11 0.00 -1.03 0.00 0.00 54.13 51.82 1ni1 s LEU 89 Cb -0.04 0.33 0.11 0.00 0.03 0.00 0.00 46.19 46.62 1ni1 s LEU 89 CO -0.09 -0.74 1.18 0.42 0.23 0.00 0.00 176.35 177.34 1ni1 s THR 90 N -4.06 2.06 -1.17 5.49 -4.23 -1.26 -4.89 115.64 107.58 1ni1 s THR 90 Ca 0.25 -0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.69 1ni1 s THR 90 Cb 0.07 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.93 1ni1 s THR 90 CO 0.03 0.00 0.36 -0.90 -0.54 0.00 0.00 174.62 173.57 1ni1 n ASP 91 N -3.33 0.52 0.06 3.99 3.85 -1.26 -1.32 116.55 119.06 1ni1 n ASP 91 Ca 0.10 -1.24 0.06 0.00 -0.71 0.00 0.00 54.79 53.00 1ni1 n ASP 91 Cb 0.60 -0.26 -0.05 0.00 -1.35 0.00 0.00 41.12 40.07 1ni1 n ASP 91 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1ni1 n ALA 92 N 0.07 2.27 -0.42 2.12 0.00 -1.26 -3.68 120.51 119.61 1ni1 n ALA 92 Ca 0.00 -0.39 0.01 0.00 0.00 0.00 0.00 53.44 53.06 1ni1 n ALA 92 Cb 0.13 -1.02 0.27 0.00 0.00 0.00 0.00 19.45 18.83 1ni1 n ALA 92 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ni1 n TYR 93 N -2.75 1.64 -0.10 0.00 4.02 -0.43 -4.30 117.16 115.25 1ni1 n TYR 93 Ca -0.05 -0.69 -0.08 0.00 -0.01 0.00 0.00 57.90 57.07 1ni1 n TYR 93 Cb 0.68 -0.46 0.07 0.00 -0.02 0.00 0.00 39.34 39.62 1ni1 n TYR 93 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1ni1 h GLU 94 N 2.55 0.81 0.00 -0.72 5.08 -1.74 -2.50 114.58 118.06 1ni1 h GLU 94 Ca 0.08 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1ni1 h GLU 94 Cb 1.71 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.93 1ni1 h GLU 94 CO 0.44 0.96 0.00 0.00 -1.00 0.00 0.00 179.01 179.40 1ni1 n LEU 96 N -1.30 2.76 0.22 0.00 4.77 -0.94 -4.63 117.00 117.89 1ni1 n LEU 96 Ca 0.02 -3.43 0.16 0.00 -0.03 0.00 0.00 56.01 52.73 1ni1 n LEU 96 Cb 0.03 -0.49 0.73 0.00 -2.33 0.00 0.00 43.42 41.36 1ni1 n LEU 96 CO 0.03 1.00 0.96 -0.78 -1.33 0.00 0.00 177.39 177.27 1ni1 h ASP 97 N 0.59 0.00 -0.52 -1.43 3.58 -0.25 -0.75 116.42 117.63 1ni1 h ASP 97 Ca 0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1ni1 h ASP 97 Cb 1.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.14 1ni1 h ASP 97 CO 0.05 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.41 1ni1 n ALA 98 N -1.93 2.29 -2.02 -0.78 0.00 -1.26 -4.43 120.51 112.38 1ni1 n ALA 98 Ca -0.00 -1.23 0.04 0.00 0.00 0.00 0.00 53.44 52.25 1ni1 n ALA 98 Cb 0.17 -0.66 0.08 0.00 0.00 0.00 0.00 19.45 19.04 1ni1 n ALA 98 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ni1 n SER 99 N 1.02 1.16 -0.34 0.00 7.64 -0.29 -3.90 113.62 118.90 1ni1 n SER 99 Ca 0.18 -2.63 0.06 0.00 1.01 0.00 0.00 58.87 57.49 1ni1 n SER 99 Cb 0.53 -0.36 0.24 0.00 -1.01 0.00 0.00 64.21 63.60 1ni1 n SER 99 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1ni1 h ARG 100 N 0.72 1.00 -0.37 1.43 3.08 -1.25 0.16 114.38 119.14 1ni1 h ARG 100 Ca -0.10 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 1ni1 h ARG 100 Cb 1.48 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 31.28 1ni1 h ARG 100 CO 0.05 0.66 0.13 -1.35 -1.07 0.00 0.00 179.97 178.39 1ni1 h PRO 101 N 1.03 0.53 0.15 0.04 0.11 -1.85 -0.77 132.00 131.23 1ni1 h PRO 101 Ca 0.45 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.49 1ni1 h PRO 101 Cb 0.36 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 1ni1 h PRO 101 CO -0.21 0.46 -0.09 -1.49 -0.21 0.00 0.00 178.00 176.46 1ni1 h TRP 102 N 0.53 -0.22 -1.00 0.65 -0.00 -1.05 -1.84 115.95 113.01 1ni1 h TRP 102 Ca 0.13 -0.00 0.23 0.00 -0.00 0.00 0.00 58.89 59.25 1ni1 h TRP 102 Cb 0.14 0.08 -0.10 0.00 -0.00 0.00 0.00 29.16 29.28 1ni1 h TRP 102 CO 0.01 -0.14 0.63 -0.07 -0.00 0.00 0.00 178.44 178.87 1ni1 h LEU 103 N -0.23 0.56 0.17 -4.49 3.38 0.06 -1.06 115.31 113.71 1ni1 h LEU 103 Ca -0.02 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1ni1 h LEU 103 Cb 0.19 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1ni1 h LEU 103 CO 0.02 0.15 -0.08 0.00 0.09 0.00 0.00 178.44 178.62 1ni1 h TYR 105 N -0.49 0.71 -0.31 0.00 3.20 -0.69 0.28 116.97 119.67 1ni1 h TYR 105 Ca -0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1ni1 h TYR 105 Cb 0.38 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1ni1 h TYR 105 CO 0.01 0.31 0.20 -1.49 -1.64 0.00 0.00 178.16 175.55 1ni1 h TRP 106 N 0.69 0.40 0.44 -3.82 6.55 -1.25 0.19 115.95 119.15 1ni1 h TRP 106 Ca 0.33 0.01 -0.02 0.00 0.95 0.00 0.00 58.89 60.16 1ni1 h TRP 106 Cb 0.27 -0.13 0.00 0.00 -0.86 0.00 0.00 29.16 28.44 1ni1 h TRP 106 CO -0.08 0.26 -0.21 0.82 -1.05 0.00 0.00 178.44 178.17 1ni1 h ILE 107 N 0.42 0.00 -0.85 1.49 2.04 -1.08 -2.20 117.51 117.32 1ni1 h ILE 107 Ca 0.11 -0.51 0.13 0.00 1.00 0.00 0.00 64.86 65.59 1ni1 h ILE 107 Cb -0.04 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 35.90 1ni1 h ILE 107 CO -0.02 0.00 -0.39 -0.07 0.00 0.00 0.00 178.15 177.67 1ni1 h LEU 108 N -1.11 -1.40 -0.89 1.44 -0.00 -0.43 0.53 115.31 113.46 1ni1 h LEU 108 Ca -0.06 0.28 -0.02 0.00 -0.00 0.00 0.00 57.88 58.09 1ni1 h LEU 108 Cb 0.46 0.71 -0.04 0.00 -0.00 0.00 0.00 40.66 41.78 1ni1 h LEU 108 CO 0.10 -0.29 0.49 -0.74 -0.00 0.00 0.00 178.44 178.00 1ni1 h HIS 109 N -0.06 1.21 0.46 1.13 2.76 -0.72 0.96 115.15 120.89 1ni1 h HIS 109 Ca 0.30 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.42 1ni1 h HIS 109 Cb 0.57 -0.39 -0.00 0.00 1.55 0.00 0.00 27.41 29.14 1ni1 h HIS 109 CO -0.80 0.83 -0.28 0.77 -1.30 0.00 0.00 177.93 177.15 1ni1 h SER 110 N 1.24 -0.71 -0.89 3.26 0.02 0.49 0.92 113.55 117.89 1ni1 h SER 110 Ca 0.31 0.04 0.08 0.00 -0.84 0.00 0.00 61.79 61.38 1ni1 h SER 110 Cb 0.01 0.21 -0.07 0.00 0.14 0.00 0.00 62.40 62.69 1ni1 h SER 110 CO -0.05 -0.45 0.54 -0.07 -1.14 0.00 0.00 176.83 175.66 1ni1 h LEU 111 N -0.71 0.83 -0.67 5.07 3.38 -0.03 0.26 115.31 123.44 1ni1 h LEU 111 Ca -0.05 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1ni1 h LEU 111 Cb 0.58 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1ni1 h LEU 111 CO 0.05 0.50 0.38 -0.08 0.09 0.00 0.00 178.44 179.38 1ni1 h GLU 112 N 0.95 0.92 -0.05 1.13 4.81 -0.02 0.29 114.58 122.60 1ni1 h GLU 112 Ca 0.41 -0.10 -0.09 0.00 -0.13 0.00 0.00 59.36 59.45 1ni1 h GLU 112 Cb 0.27 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1ni1 h GLU 112 CO -0.21 0.68 -0.38 -0.07 -0.73 0.00 0.00 179.01 178.30 1ni1 h LEU 113 N 0.91 0.11 -0.47 1.64 3.38 0.29 0.13 115.31 121.30 1ni1 h LEU 113 Ca 0.24 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1ni1 h LEU 113 Cb 0.02 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1ni1 h LEU 113 CO -0.04 0.49 0.00 0.18 0.09 0.00 0.00 178.44 179.16 1ni1 n LEU 114 N -4.07 0.72 -3.41 1.67 4.77 0.70 -1.55 117.00 115.84 1ni1 n LEU 114 Ca -0.02 -0.29 -0.18 0.00 -0.03 0.00 0.00 56.01 55.50 1ni1 n LEU 114 Cb 0.43 -0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.56 1ni1 n LEU 114 CO 0.40 0.14 0.03 -0.67 -1.33 0.00 0.00 177.39 175.96 1ni1 n ASP 115 N -0.34 -4.53 -4.76 -1.43 2.03 0.03 -4.90 116.55 102.65 1ni1 n ASP 115 Ca 0.17 -0.73 -0.23 0.00 0.52 0.00 0.00 54.79 54.51 1ni1 n ASP 115 Cb 0.19 -4.84 -0.06 0.00 -0.72 0.00 0.00 41.12 35.69 1ni1 n ASP 115 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1ni1 s GLU 116 N -5.04 2.43 0.00 -0.67 0.41 0.92 -5.01 118.70 111.74 1ni1 s GLU 116 Ca 0.28 -1.52 -0.12 0.00 -0.41 0.00 0.00 54.97 53.19 1ni1 s GLU 116 Cb -0.05 -2.23 -0.05 0.00 -1.78 0.00 0.00 34.13 30.02 1ni1 s GLU 116 CO 0.76 0.08 0.36 -1.25 -0.49 0.00 0.00 175.26 174.72 1ni1 s PRO 117 N -3.89 3.79 -0.51 0.39 0.04 -1.26 -4.57 135.00 128.99 1ni1 s PRO 117 Ca 0.39 0.26 -0.04 0.00 0.04 0.00 0.00 61.00 61.65 1ni1 s PRO 117 Cb -0.03 -3.16 0.13 0.00 0.04 0.00 0.00 34.50 31.49 1ni1 s PRO 117 CO 0.24 0.67 0.32 0.42 0.04 0.00 0.00 177.00 178.69 1ni1 s ILE 118 N -1.16 3.58 0.95 0.56 1.09 -1.26 -5.07 121.20 119.88 1ni1 s ILE 118 Ca 0.25 -2.43 -0.26 0.00 -1.10 0.00 0.00 60.65 57.11 1ni1 s ILE 118 Cb -0.15 -3.39 -0.18 0.00 -1.06 0.00 0.00 42.46 37.68 1ni1 s ILE 118 CO 0.13 -0.78 -1.44 -2.65 -0.10 0.00 0.00 174.94 170.10 1ni1 n PRO 119 N 4.14 0.00 0.00 2.79 -0.02 -1.26 -4.66 135.00 135.99 1ni1 n PRO 119 Ca 0.02 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.63 1ni1 n PRO 119 Cb 0.40 -0.98 0.41 0.00 -0.02 0.00 0.00 33.50 33.31 1ni1 n PRO 119 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1ni1 n GLN 120 N 2.41 0.22 0.00 -0.52 6.02 -1.26 -2.77 117.38 121.48 1ni1 n GLN 120 Ca -0.02 -0.10 0.00 0.00 -0.01 0.00 0.00 57.00 56.87 1ni1 n GLN 120 Cb 0.70 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.46 1ni1 n GLN 120 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1ni1 n ILE 121 N -1.31 0.00 -0.32 5.09 -0.00 -1.26 -3.72 119.36 117.85 1ni1 n ILE 121 Ca 0.08 0.00 0.19 0.00 -0.00 0.00 0.00 62.75 63.03 1ni1 n ILE 121 Cb 0.33 -0.00 0.37 0.00 -0.00 0.00 0.00 39.64 40.34 1ni1 n ILE 121 CO 0.00 0.00 0.00 0.55 -0.00 0.00 0.00 176.55 177.10 1ni1 n VAL 122 N -0.27 -0.40 0.10 1.39 3.14 -1.26 0.03 118.33 121.07 1ni1 n VAL 122 Ca 0.00 2.02 -0.14 0.00 -2.96 0.00 0.00 64.34 63.26 1ni1 n VAL 122 Cb 0.00 -3.06 -0.07 0.00 -1.06 0.00 0.00 33.84 29.65 1ni1 n VAL 122 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ni1 h ALA 123 N 1.89 -0.69 -0.85 1.55 0.00 -1.72 0.30 119.26 119.73 1ni1 h ALA 123 Ca 0.65 -0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.66 1ni1 h ALA 123 Cb 1.49 0.68 -0.06 0.00 0.00 0.00 0.00 17.79 19.90 1ni1 h ALA 123 CO -0.83 -0.96 0.56 1.15 0.00 0.00 0.00 179.25 179.17 1ni1 h THR 124 N -0.62 0.78 -0.41 0.00 2.02 -0.48 0.33 112.91 114.54 1ni1 h THR 124 Ca 0.03 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 1ni1 h THR 124 Cb 0.66 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1ni1 h THR 124 CO -0.25 0.10 0.15 0.44 0.37 0.00 0.00 175.52 176.33 1ni1 h ASP 125 N 0.55 0.57 0.66 4.18 3.45 -0.22 -1.48 116.42 124.13 1ni1 h ASP 125 Ca 0.43 -0.18 -0.03 0.00 0.43 0.00 0.00 57.03 57.68 1ni1 h ASP 125 Cb 0.86 -0.15 0.01 0.00 -0.56 0.00 0.00 39.33 39.49 1ni1 h ASP 125 CO -0.18 0.59 -0.32 0.58 -1.57 0.00 0.00 179.24 178.35 1ni1 h VAL 126 N 0.51 0.00 -0.68 -1.35 2.07 0.30 -1.94 116.25 115.16 1ni1 h VAL 126 Ca 0.13 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.67 1ni1 h VAL 126 Cb 0.21 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.90 1ni1 h VAL 126 CO -0.01 0.00 -0.40 0.00 0.02 0.00 0.00 177.57 177.18 1ni1 h GLN 128 N 0.00 0.00 0.05 0.00 4.15 -1.16 -1.70 115.11 116.45 1ni1 h GLN 128 Ca 0.11 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.53 1ni1 h GLN 128 Cb 0.28 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.97 1ni1 h GLN 128 CO -0.64 0.00 -0.02 0.35 -1.93 0.00 0.00 178.83 176.59 1ni1 h PHE 129 N 0.00 -0.06 -0.64 3.99 3.57 0.42 -3.24 116.94 120.98 1ni1 h PHE 129 Ca 0.28 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.90 1ni1 h PHE 129 Cb 1.16 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.88 1ni1 h PHE 129 CO 0.00 0.58 0.43 -0.07 -2.23 0.00 0.00 178.31 177.02 1ni1 h LEU 130 N -0.82 0.30 0.00 0.59 4.07 -0.72 -2.42 115.31 116.32 1ni1 h LEU 130 Ca -0.01 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1ni1 h LEU 130 Cb 0.66 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.35 1ni1 h LEU 130 CO 0.01 0.17 0.00 -0.62 -1.08 0.00 0.00 178.44 176.92 1ni1 n GLU 131 N -4.46 0.00 0.17 1.13 1.02 -0.69 -0.12 120.64 117.70 1ni1 n GLU 131 Ca 0.11 0.74 0.19 0.00 -0.02 0.00 0.00 57.16 58.17 1ni1 n GLU 131 Cb 0.47 -1.49 0.76 0.00 -0.02 0.00 0.00 31.44 31.17 1ni1 n GLU 131 CO 0.00 0.00 0.00 1.37 1.18 0.00 0.00 177.13 179.68 1ni1 h LEU 132 N 0.00 0.00 -0.39 -4.62 8.10 -1.53 0.85 115.31 117.72 1ni1 h LEU 132 Ca 0.00 0.00 -0.18 0.00 0.11 0.00 0.00 57.88 57.81 1ni1 h LEU 132 Cb 0.00 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1ni1 h LEU 132 CO 0.00 0.00 -0.63 0.00 -4.11 0.00 0.00 178.44 173.70 1ni1 s GLN 134 N -3.88 1.43 0.03 0.00 0.74 0.30 -1.27 119.66 117.01 1ni1 s GLN 134 Ca -0.08 1.53 0.08 0.00 0.05 0.00 0.00 55.36 56.94 1ni1 s GLN 134 Cb 0.10 -1.77 -0.03 0.00 1.10 0.00 0.00 33.01 32.41 1ni1 s GLN 134 CO 0.86 -2.32 -0.21 0.45 -0.55 0.00 0.00 175.29 173.52 1ni1 s SER 135 N -2.67 3.57 0.00 6.67 0.15 -0.11 -4.78 113.70 116.54 1ni1 s SER 135 Ca 0.67 -0.46 0.04 0.00 0.70 0.00 0.00 55.95 56.90 1ni1 s SER 135 Cb -0.23 -0.51 0.26 0.00 -1.71 0.00 0.00 66.02 63.83 1ni1 s SER 135 CO 0.55 0.27 0.63 -0.81 1.20 0.00 0.00 173.24 175.08 1ni1 n PRO 136 N 1.73 0.22 -0.00 5.44 -0.04 -1.26 -0.35 135.00 140.74 1ni1 n PRO 136 Ca -0.16 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.40 1ni1 n PRO 136 Cb 0.52 -1.31 -0.14 0.00 -0.04 0.00 0.00 33.50 32.53 1ni1 n PRO 136 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ni1 n ASP 137 N -0.81 0.64 0.00 3.54 8.00 -1.26 -5.00 116.55 121.66 1ni1 n ASP 137 Ca 0.03 -0.60 0.00 0.00 0.71 0.00 0.00 54.79 54.93 1ni1 n ASP 137 Cb 0.02 1.38 0.00 0.00 -0.02 0.00 0.00 41.12 42.50 1ni1 n ASP 137 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ni1 n GLY 138 N 1.41 2.11 0.00 0.44 0.00 0.53 -4.35 105.19 105.32 1ni1 n GLY 138 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1ni1 n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ni1 n GLY 139 N 0.00 1.61 2.80 -0.02 0.00 -1.26 -3.89 105.19 104.43 1ni1 n GLY 139 Ca 0.00 -2.00 -0.21 0.00 0.00 0.00 0.00 46.02 43.81 1ni1 n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ni1 s PHE 140 N 1.75 0.60 0.00 1.61 0.40 -1.26 -0.93 117.98 120.14 1ni1 s PHE 140 Ca 0.00 -0.13 0.00 0.00 -0.60 0.00 0.00 56.93 56.20 1ni1 s PHE 140 Cb 0.00 -0.70 0.00 0.00 0.51 0.00 0.00 43.02 42.83 1ni1 s PHE 140 CO 0.00 -0.26 0.00 0.41 0.70 0.00 0.00 175.22 176.07 1ni1 n GLY 141 N 4.79 -1.22 1.33 4.36 0.00 -0.39 -1.43 105.19 112.62 1ni1 n GLY 141 Ca -0.13 -1.65 0.09 0.00 0.00 0.00 0.00 46.02 44.33 1ni1 n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ni1 n GLY 142 N 4.77 2.98 0.00 -0.02 0.00 -1.25 -4.64 105.19 107.03 1ni1 n GLY 142 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1ni1 n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ni1 n GLY 143 N 0.75 1.79 3.63 -0.02 0.00 -1.26 -1.69 105.19 108.38 1ni1 n GLY 143 Ca 0.23 -0.61 -0.65 0.00 0.00 0.00 0.00 46.02 44.99 1ni1 n GLY 143 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ni1 n PRO 144 N -0.41 0.13 -2.70 1.61 -0.02 -1.26 -2.28 135.00 130.08 1ni1 n PRO 144 Ca 0.00 0.05 -0.09 0.00 -2.02 0.00 0.00 63.50 61.43 1ni1 n PRO 144 Cb 0.00 -1.58 0.05 0.00 -0.02 0.00 0.00 33.50 31.95 1ni1 n PRO 144 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ni1 n GLY 145 N 4.88 -0.09 3.11 -1.23 0.00 -1.04 -4.97 105.19 105.85 1ni1 n GLY 145 Ca 0.36 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 46.13 1ni1 n GLY 145 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ni1 s GLN 146 N -4.44 1.09 0.39 1.61 0.74 -0.97 -5.08 119.66 113.01 1ni1 s GLN 146 Ca 0.08 -0.52 -0.25 0.00 0.05 0.00 0.00 55.36 54.73 1ni1 s GLN 146 Cb -0.01 -1.06 -0.12 0.00 1.10 0.00 0.00 33.01 32.92 1ni1 s GLN 146 CO 0.41 0.29 0.88 0.66 -0.55 0.00 0.00 175.29 176.98 1ni1 n TYR 147 N 2.65 0.71 -1.62 1.67 0.53 -1.26 -3.71 117.16 116.13 1ni1 n TYR 147 Ca -0.15 0.61 -0.36 0.00 -1.02 0.00 0.00 57.90 56.99 1ni1 n TYR 147 Cb 0.55 -2.16 0.08 0.00 -1.03 0.00 0.00 39.34 36.78 1ni1 n TYR 147 CO 0.00 0.00 0.00 -2.14 -1.02 0.00 0.00 176.86 173.70 1ni1 s PRO 148 N -1.79 2.37 0.03 -0.72 0.02 -1.26 -4.15 135.00 129.50 1ni1 s PRO 148 Ca 0.62 1.96 -0.08 0.00 0.02 0.00 0.00 61.00 63.52 1ni1 s PRO 148 Cb -0.61 -1.84 -0.00 0.00 0.02 0.00 0.00 34.50 32.07 1ni1 s PRO 148 CO 0.58 -1.71 0.15 -1.58 -0.33 0.00 0.00 177.00 174.11 1ni1 s HIS 149 N -1.61 0.10 0.18 6.54 2.46 -0.52 -4.67 115.29 117.78 1ni1 s HIS 149 Ca 0.80 -0.32 0.09 0.00 0.47 0.00 0.00 55.06 56.10 1ni1 s HIS 149 Cb -0.34 -0.07 0.09 0.00 -0.13 0.00 0.00 32.58 32.13 1ni1 s HIS 149 CO 0.42 -0.38 1.46 -0.07 -2.47 0.00 0.00 174.74 173.69 1ni1 h LEU 150 N 3.67 0.00 0.60 8.88 3.38 -1.59 -2.59 115.31 127.66 1ni1 h LEU 150 Ca -0.32 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 1ni1 h LEU 150 Cb 1.19 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.94 1ni1 h LEU 150 CO 0.48 0.78 -0.29 0.00 0.09 0.00 0.00 178.44 179.50 1ni1 h ALA 151 N 1.22 -0.81 -0.20 1.53 0.00 -1.92 0.27 119.26 119.35 1ni1 h ALA 151 Ca -0.01 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1ni1 h ALA 151 Cb 1.41 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 1ni1 h ALA 151 CO 0.10 -0.78 0.14 -1.35 0.00 0.00 0.00 179.25 177.36 1ni1 h PRO 152 N -1.15 0.18 -0.27 0.00 0.11 -1.81 -0.61 132.00 128.45 1ni1 h PRO 152 Ca -0.08 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.97 1ni1 h PRO 152 Cb 0.65 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.71 1ni1 h PRO 152 CO 0.14 0.12 0.00 1.15 -0.21 0.00 0.00 178.00 179.20 1ni1 h THR 153 N 0.19 1.26 -0.19 -1.15 2.02 -1.40 0.33 112.91 113.97 1ni1 h THR 153 Ca 0.08 -0.92 0.01 0.00 0.77 0.00 0.00 66.41 66.35 1ni1 h THR 153 Cb 0.10 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 1ni1 h THR 153 CO -0.01 0.29 0.11 0.22 0.37 0.00 0.00 175.52 176.50 1ni1 h TYR 154 N 0.26 0.21 -0.45 3.16 3.20 0.32 -1.06 116.97 122.62 1ni1 h TYR 154 Ca 0.08 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 1ni1 h TYR 154 Cb 0.42 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 1ni1 h TYR 154 CO 0.04 0.13 0.05 0.00 -1.64 0.00 0.00 178.16 176.73 1ni1 h ALA 155 N 1.08 0.59 0.43 1.82 0.00 -1.06 -1.99 119.26 120.13 1ni1 h ALA 155 Ca 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1ni1 h ALA 155 Cb -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1ni1 h ALA 155 CO -0.03 0.34 -0.42 0.00 0.00 0.00 0.00 179.25 179.14 1ni1 h ALA 156 N 0.93 -0.93 0.17 0.00 0.00 -0.10 0.50 119.26 119.83 1ni1 h ALA 156 Ca 0.13 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1ni1 h ALA 156 Cb 0.42 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1ni1 h ALA 156 CO 0.01 -1.06 -0.53 0.28 0.00 0.00 0.00 179.25 177.95 1ni1 h VAL 157 N -0.87 0.00 -0.85 0.00 2.07 -1.20 -0.43 116.25 114.98 1ni1 h VAL 157 Ca -0.04 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.69 1ni1 h VAL 157 Cb 0.77 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.39 1ni1 h VAL 157 CO -0.06 0.00 0.02 0.78 0.02 0.00 0.00 177.57 178.33 1ni1 h ASN 158 N -0.79 -0.38 -0.17 0.57 4.21 -1.18 0.32 115.58 118.16 1ni1 h ASN 158 Ca -0.01 0.23 -0.08 0.00 1.21 0.00 0.00 56.30 57.64 1ni1 h ASN 158 Cb 0.78 0.39 -0.02 0.00 -1.12 0.00 0.00 38.32 38.36 1ni1 h ASN 158 CO -0.26 -0.24 -0.14 0.00 -1.29 0.00 0.00 177.43 175.50 1ni1 h ALA 159 N 1.81 1.16 0.00 -0.83 0.00 -0.23 -1.83 119.26 119.34 1ni1 h ALA 159 Ca 0.49 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1ni1 h ALA 159 Cb 0.92 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1ni1 h ALA 159 CO -0.76 0.53 0.00 -0.07 0.00 0.00 0.00 179.25 178.95 1ni1 h LEU 160 N 0.51 0.00 0.00 0.00 3.38 0.12 -2.80 115.31 116.53 1ni1 h LEU 160 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1ni1 h LEU 160 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1ni1 h LEU 160 CO 0.03 0.00 -1.02 0.00 0.09 0.00 0.00 178.44 177.54 1ni1 n ILE 162 N -2.10 0.38 -0.04 0.00 5.41 -0.75 -3.85 119.36 118.42 1ni1 n ILE 162 Ca 0.02 -0.19 -0.03 0.00 1.00 0.00 0.00 62.75 63.55 1ni1 n ILE 162 Cb 0.46 -0.49 -0.01 0.00 -0.71 0.00 0.00 39.64 38.89 1ni1 n ILE 162 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1ni1 h ILE 163 N 0.00 0.00 0.00 1.39 1.08 -1.59 -3.49 117.51 114.90 1ni1 h ILE 163 Ca 0.00 -0.60 0.00 0.00 -0.39 0.00 0.00 64.86 63.87 1ni1 h ILE 163 Cb 0.66 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.41 1ni1 h ILE 163 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.07 1ni1 n GLY 164 N 1.68 2.85 2.01 5.37 0.00 -1.19 -5.04 105.19 110.87 1ni1 n GLY 164 Ca -0.04 -0.72 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 1ni1 n GLY 164 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ni1 n THR 165 N 0.00 0.40 -0.32 2.61 -2.24 -1.26 -4.18 114.28 109.29 1ni1 n THR 165 Ca 0.00 -0.10 0.05 0.00 -2.27 0.00 0.00 64.05 61.73 1ni1 n THR 165 Cb 0.00 0.00 0.11 0.00 -2.10 0.00 0.00 70.33 68.34 1ni1 n THR 165 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1ni1 n GLU 166 N 0.77 -0.09 -0.26 -0.78 4.07 -1.26 0.17 120.64 123.26 1ni1 n GLU 166 Ca 0.11 1.37 0.05 0.00 -0.06 0.00 0.00 57.16 58.63 1ni1 n GLU 166 Cb 0.08 -2.04 0.18 0.00 -0.06 0.00 0.00 31.44 29.60 1ni1 n GLU 166 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1ni1 h GLU 167 N 0.00 0.46 0.00 5.31 4.81 -1.98 -0.46 114.58 122.72 1ni1 h GLU 167 Ca 0.41 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 1ni1 h GLU 167 Cb 0.63 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1ni1 h GLU 167 CO -0.90 0.31 0.00 0.00 -0.73 0.00 0.00 179.01 177.69 1ni1 n ALA 168 N -2.49 -0.45 -0.34 2.92 0.00 0.44 -2.82 120.51 117.77 1ni1 n ALA 168 Ca 0.14 0.00 0.33 0.00 0.00 0.00 0.00 53.44 53.91 1ni1 n ALA 168 Cb 0.40 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.45 1ni1 n ALA 168 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ni1 n TYR 169 N -1.86 1.06 0.00 0.00 0.53 -0.92 -3.33 117.16 112.65 1ni1 n TYR 169 Ca 0.00 1.07 0.00 0.00 -1.02 0.00 0.00 57.90 57.95 1ni1 n TYR 169 Cb 0.00 -1.48 0.00 0.00 -1.03 0.00 0.00 39.34 36.83 1ni1 n TYR 169 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 1ni1 n ASN 170 N -5.12 0.00 0.00 7.72 3.02 -0.20 -3.94 115.26 116.74 1ni1 n ASN 170 Ca 0.38 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.93 1ni1 n ASN 170 Cb 1.32 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.49 1ni1 n ASN 170 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1ni1 n VAL 171 N 0.00 0.00 -1.51 2.41 0.31 -1.17 -4.46 118.33 113.91 1ni1 n VAL 171 Ca 0.00 0.00 -0.48 0.00 -0.01 0.00 0.00 64.34 63.85 1ni1 n VAL 171 Cb 0.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 1ni1 n VAL 171 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1ni1 n ILE 172 N 0.00 0.26 -2.56 2.52 5.41 -1.25 -4.86 119.36 118.88 1ni1 n ILE 172 Ca 0.00 -0.34 -0.42 0.00 1.00 0.00 0.00 62.75 62.99 1ni1 n ILE 172 Cb 0.00 -2.03 -0.01 0.00 -0.71 0.00 0.00 39.64 36.89 1ni1 n ILE 172 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1ni1 s ASN 173 N 7.69 6.71 0.27 4.38 3.84 -1.26 -4.83 114.94 131.74 1ni1 s ASN 173 Ca 1.06 -2.23 -0.01 0.00 0.21 0.00 0.00 52.86 51.89 1ni1 s ASN 173 Cb -0.64 -2.58 0.61 0.00 -0.55 0.00 0.00 41.25 38.10 1ni1 s ASN 173 CO 0.43 -1.30 1.63 0.03 -2.79 0.00 0.00 177.10 175.11 1ni1 h ARG 174 N 8.08 0.14 0.16 0.43 3.08 -1.91 0.60 114.38 124.97 1ni1 h ARG 174 Ca 0.39 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.43 1ni1 h ARG 174 Cb 0.90 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 1ni1 h ARG 174 CO 1.45 0.10 -0.17 1.05 -1.07 0.00 0.00 179.97 181.32 1ni1 h GLU 175 N 0.15 -0.33 -0.21 0.04 9.09 -1.96 -1.24 114.58 120.12 1ni1 h GLU 175 Ca 0.51 0.02 0.06 0.00 0.05 0.00 0.00 59.36 60.00 1ni1 h GLU 175 Cb 0.98 0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 28.15 1ni1 h GLU 175 CO -0.69 -0.22 0.27 0.87 0.05 0.00 0.00 179.01 179.30 1ni1 h LYS 176 N -0.34 0.00 0.18 1.06 1.79 -1.79 -0.33 116.57 117.15 1ni1 h LYS 176 Ca -0.02 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 1ni1 h LYS 176 Cb 0.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1ni1 h LYS 176 CO -0.03 0.00 -0.09 1.25 -1.08 0.00 0.00 179.45 179.51 1ni1 h LEU 177 N 0.00 -0.20 -0.72 2.94 5.85 0.21 0.29 115.31 123.68 1ni1 h LEU 177 Ca 0.10 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1ni1 h LEU 177 Cb 0.65 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 1ni1 h LEU 177 CO -0.00 0.00 0.40 0.25 -0.34 0.00 0.00 178.44 178.75 1ni1 h LEU 178 N -0.41 0.89 -0.72 2.25 6.46 -0.09 0.29 115.31 123.98 1ni1 h LEU 178 Ca -0.02 -0.09 0.13 0.00 -0.12 0.00 0.00 57.88 57.78 1ni1 h LEU 178 Cb 0.32 -0.23 -0.09 0.00 -0.73 0.00 0.00 40.66 39.93 1ni1 h LEU 178 CO 0.04 0.73 0.27 1.56 -0.62 0.00 0.00 178.44 180.41 1ni1 h GLN 179 N 0.99 0.40 0.42 1.25 4.20 -0.82 0.30 115.11 121.85 1ni1 h GLN 179 Ca 0.25 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.92 1ni1 h GLN 179 Cb 0.03 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.72 1ni1 h GLN 179 CO -0.04 0.26 -0.20 -0.92 -0.67 0.00 0.00 178.83 177.26 1ni1 h TYR 180 N 0.41 -0.52 -0.79 2.96 3.20 0.11 -1.40 116.97 120.94 1ni1 h TYR 180 Ca 0.39 -0.01 0.23 0.00 3.14 0.00 0.00 58.73 62.48 1ni1 h TYR 180 Cb 0.58 0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.99 1ni1 h TYR 180 CO -0.18 -0.21 0.59 -0.07 -1.64 0.00 0.00 178.16 176.66 1ni1 h LEU 181 N -0.83 0.00 -0.20 2.82 4.07 0.27 0.84 115.31 122.28 1ni1 h LEU 181 Ca -0.06 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.69 1ni1 h LEU 181 Cb 0.55 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.28 1ni1 h LEU 181 CO 0.09 0.00 -0.94 1.88 -1.08 0.00 0.00 178.44 178.40 1ni1 h TYR 182 N 0.00 0.41 0.00 1.13 0.99 -0.14 -2.05 116.97 117.31 1ni1 h TYR 182 Ca 0.38 -0.23 0.00 0.00 2.00 0.00 0.00 58.73 60.87 1ni1 h TYR 182 Cb 1.55 -0.04 0.00 0.00 1.00 0.00 0.00 36.73 39.24 1ni1 h TYR 182 CO 0.00 1.06 0.00 -1.13 -0.00 0.00 0.00 178.16 178.09 1ni1 n SER 183 N -3.66 0.00 -0.00 3.88 3.41 0.29 -3.05 113.62 114.48 1ni1 n SER 183 Ca -0.05 -0.22 -0.00 0.00 -0.26 0.00 0.00 58.87 58.34 1ni1 n SER 183 Cb 0.84 -0.13 -0.01 0.00 -0.26 0.00 0.00 64.21 64.66 1ni1 n SER 183 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ni1 n LEU 184 N -1.13 0.00 -4.49 1.04 4.77 -1.04 -4.82 117.00 111.33 1ni1 n LEU 184 Ca 0.09 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.65 1ni1 n LEU 184 Cb 0.08 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1ni1 n LEU 184 CO 0.09 0.02 0.20 1.17 -1.33 0.00 0.00 177.39 177.54 1ni1 n LYS 185 N -1.94 0.74 -4.25 3.23 0.00 -0.79 -2.49 118.16 112.66 1ni1 n LYS 185 Ca -0.01 0.26 -0.24 0.00 0.00 0.00 0.00 58.31 58.32 1ni1 n LYS 185 Cb 0.44 -1.59 -0.08 0.00 0.00 0.00 0.00 35.03 33.81 1ni1 n LYS 185 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1ni1 s GLN 186 N -1.60 2.19 0.38 1.64 -1.52 -0.59 -4.87 119.66 115.29 1ni1 s GLN 186 Ca 0.63 -1.67 0.21 0.00 -1.95 0.00 0.00 55.36 52.58 1ni1 s GLN 186 Cb -0.63 -2.03 0.48 0.00 -0.22 0.00 0.00 33.01 30.61 1ni1 s GLN 186 CO 0.58 0.13 1.64 -1.00 -0.25 0.00 0.00 175.29 176.38 1ni1 h PRO 187 N 1.71 0.00 -0.16 2.91 0.14 -1.93 -3.05 132.00 131.61 1ni1 h PRO 187 Ca -0.43 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.71 1ni1 h PRO 187 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.39 1ni1 h PRO 187 CO 0.65 0.28 0.00 -0.40 0.14 0.00 0.00 178.00 178.68 1ni1 n ASP 188 N -3.25 1.16 0.00 1.44 5.75 -1.26 -4.92 116.55 115.47 1ni1 n ASP 188 Ca 0.02 -1.77 0.00 0.00 -0.01 0.00 0.00 54.79 53.02 1ni1 n ASP 188 Cb 0.57 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 1ni1 n ASP 188 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ni1 n GLY 189 N 0.95 3.06 3.09 6.12 0.00 -1.15 -4.52 105.19 112.75 1ni1 n GLY 189 Ca 0.12 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 45.03 1ni1 n GLY 189 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ni1 n SER 190 N 1.14 -2.68 -4.25 1.61 3.41 -1.26 -4.26 113.62 107.32 1ni1 n SER 190 Ca 0.00 -0.16 -0.17 0.00 -0.26 0.00 0.00 58.87 58.28 1ni1 n SER 190 Cb 0.00 -0.75 -0.11 0.00 -0.26 0.00 0.00 64.21 63.09 1ni1 n SER 190 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1ni1 s PHE 191 N -2.11 1.39 0.09 7.33 0.40 -1.26 -1.55 117.98 122.28 1ni1 s PHE 191 Ca 0.41 -0.60 -0.19 0.00 -0.60 0.00 0.00 56.93 55.96 1ni1 s PHE 191 Cb -0.03 -0.71 -0.07 0.00 0.51 0.00 0.00 43.02 42.71 1ni1 s PHE 191 CO 0.52 0.15 0.58 -0.51 0.70 0.00 0.00 175.22 176.67 1ni1 s LEU 192 N -2.66 4.50 0.20 -0.37 1.43 -1.04 -4.33 118.68 116.41 1ni1 s LEU 192 Ca 0.11 1.27 -0.09 0.00 -1.03 0.00 0.00 54.13 54.39 1ni1 s LEU 192 Cb -0.03 -3.00 0.15 0.00 0.03 0.00 0.00 46.19 43.34 1ni1 s LEU 192 CO 0.03 0.24 1.81 0.24 0.23 0.00 0.00 176.35 178.90 1ni1 h MET 193 N 4.35 1.07 -1.58 1.70 2.86 -0.15 -3.46 114.93 119.72 1ni1 h MET 193 Ca -0.49 -0.14 0.07 0.00 -2.06 0.00 0.00 59.70 57.08 1ni1 h MET 193 Cb 1.21 -0.20 -0.23 0.00 0.06 0.00 0.00 31.60 32.44 1ni1 h MET 193 CO 0.64 0.81 0.53 -3.38 1.06 0.00 0.00 176.91 176.56 1ni1 s HIS 194 N -5.78 -0.39 -0.50 -0.22 0.00 -1.26 -1.63 115.29 105.51 1ni1 s HIS 194 Ca -0.13 0.71 -0.41 0.00 -3.00 0.00 0.00 55.06 52.23 1ni1 s HIS 194 Cb 0.15 0.44 -0.17 0.00 -4.00 0.00 0.00 32.58 28.99 1ni1 s HIS 194 CO 0.81 -0.34 2.19 0.28 -1.00 0.00 0.00 174.74 176.68 1ni1 n VAL 195 N 0.91 0.04 -0.12 -5.38 0.31 -1.26 0.26 118.33 113.08 1ni1 n VAL 195 Ca -0.11 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1ni1 n VAL 195 Cb 0.58 -0.77 0.00 0.00 -0.91 0.00 0.00 33.84 32.74 1ni1 n VAL 195 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ni1 n GLY 196 N 7.22 0.55 0.00 2.92 0.00 -1.26 -5.06 105.19 109.56 1ni1 n GLY 196 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1ni1 n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ni1 n GLY 197 N -2.00 1.55 3.88 -0.02 0.00 0.72 -5.12 105.19 104.19 1ni1 n GLY 197 Ca 0.00 -1.78 -0.26 0.00 0.00 0.00 0.00 46.02 43.98 1ni1 n GLY 197 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ni1 s GLU 198 N 2.68 2.29 -0.10 1.61 1.03 -1.26 -4.80 118.70 120.14 1ni1 s GLU 198 Ca 0.00 -1.95 0.01 0.00 0.03 0.00 0.00 54.97 53.07 1ni1 s GLU 198 Cb 0.00 -2.11 0.02 0.00 -0.80 0.00 0.00 34.13 31.24 1ni1 s GLU 198 CO 0.00 -0.50 -0.13 0.08 -1.33 0.00 0.00 175.26 173.38 1ni1 s VAL 199 N -2.72 1.32 -0.01 1.83 1.01 -1.26 0.60 120.40 121.17 1ni1 s VAL 199 Ca 0.36 -0.53 -0.24 0.00 0.00 0.00 0.00 61.98 61.57 1ni1 s VAL 199 Cb -0.02 -1.24 0.05 0.00 0.00 0.00 0.00 36.38 35.18 1ni1 s VAL 199 CO 0.22 0.41 0.54 1.51 0.00 0.00 0.00 175.10 177.78 1ni1 s ASP 200 N 1.12 -0.48 0.35 3.32 1.47 -1.26 -4.79 116.67 116.41 1ni1 s ASP 200 Ca -0.05 0.40 0.26 0.00 1.18 0.00 0.00 52.55 54.35 1ni1 s ASP 200 Cb -0.14 0.47 1.20 0.00 -0.34 0.00 0.00 42.92 44.10 1ni1 s ASP 200 CO -0.03 -0.60 1.25 1.33 0.68 0.00 0.00 175.17 177.80 1ni1 n VAL 201 N 0.85 -0.20 -0.33 2.11 0.24 -0.45 -0.96 118.33 119.60 1ni1 n VAL 201 Ca -0.19 1.45 0.20 0.00 -2.04 0.00 0.00 64.34 63.75 1ni1 n VAL 201 Cb 0.58 -2.37 0.41 0.00 -1.47 0.00 0.00 33.84 30.99 1ni1 n VAL 201 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1ni1 h ARG 202 N 0.00 0.35 -0.49 7.34 3.08 -1.90 0.30 114.38 123.06 1ni1 h ARG 202 Ca 0.71 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.64 1ni1 h ARG 202 Cb 2.28 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 32.23 1ni1 h ARG 202 CO -0.37 0.23 -0.06 0.66 -1.07 0.00 0.00 179.97 179.35 1ni1 h SER 203 N 0.36 0.86 0.23 7.04 4.64 -1.37 0.34 113.55 125.64 1ni1 h SER 203 Ca 0.67 -0.25 0.01 0.00 -0.47 0.00 0.00 61.79 61.75 1ni1 h SER 203 Cb 1.44 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 1ni1 h SER 203 CO -0.59 0.96 -0.26 0.00 -0.87 0.00 0.00 176.83 176.07 1ni1 h ALA 204 N 1.13 -0.52 -0.41 5.18 0.00 -0.55 0.25 119.26 124.34 1ni1 h ALA 204 Ca 0.14 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1ni1 h ALA 204 Cb 0.57 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1ni1 h ALA 204 CO 0.03 -0.83 -0.01 -0.92 0.00 0.00 0.00 179.25 177.53 1ni1 h TYR 205 N -0.54 0.79 0.14 0.00 3.20 -1.40 0.88 116.97 120.04 1ni1 h TYR 205 Ca 0.00 -0.14 0.02 0.00 3.14 0.00 0.00 58.73 61.75 1ni1 h TYR 205 Cb 0.51 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 1ni1 h TYR 205 CO -0.19 0.80 -0.30 0.00 -1.64 0.00 0.00 178.16 176.83 1ni1 h ALA 207 N 0.12 1.40 -0.17 0.00 0.00 -0.42 -2.65 119.26 117.54 1ni1 h ALA 207 Ca 0.02 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 1ni1 h ALA 207 Cb 0.56 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1ni1 h ALA 207 CO -0.16 0.44 -0.49 0.00 0.00 0.00 0.00 179.25 179.04 1ni1 h ALA 208 N 1.51 0.84 -0.20 0.00 0.00 0.07 -1.45 119.26 120.02 1ni1 h ALA 208 Ca 0.15 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 1ni1 h ALA 208 Cb 0.19 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ni1 h ALA 208 CO -0.01 0.67 -0.12 1.03 0.00 0.00 0.00 179.25 180.82 1ni1 h SER 209 N 0.35 0.46 0.19 0.00 0.87 0.20 -2.78 113.55 112.85 1ni1 h SER 209 Ca 0.02 -0.42 -0.01 0.00 -1.23 0.00 0.00 61.79 60.14 1ni1 h SER 209 Cb 0.99 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 1ni1 h SER 209 CO 0.09 0.78 -0.09 -0.37 -0.53 0.00 0.00 176.83 176.71 1ni1 h VAL 210 N 0.13 0.66 -0.96 2.23 -1.51 -1.49 -2.24 116.25 113.07 1ni1 h VAL 210 Ca 0.04 -1.06 0.20 0.00 -1.23 0.00 0.00 66.70 64.65 1ni1 h VAL 210 Cb 0.62 1.13 -0.08 0.00 -2.13 0.00 0.00 31.29 30.82 1ni1 h VAL 210 CO 0.03 0.18 0.61 0.00 -1.23 0.00 0.00 177.57 177.16 1ni1 h ALA 211 N -0.49 2.01 -0.01 5.19 0.00 -1.40 0.17 119.26 124.73 1ni1 h ALA 211 Ca -0.03 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ni1 h ALA 211 Cb 0.49 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ni1 h ALA 211 CO 0.04 -0.34 -0.04 0.66 0.00 0.00 0.00 179.25 179.58 1ni1 h SER 212 N 0.55 0.04 -0.32 0.00 4.64 -1.56 -1.40 113.55 115.50 1ni1 h SER 212 Ca 0.52 -0.70 0.01 0.00 -0.47 0.00 0.00 61.79 61.15 1ni1 h SER 212 Cb 1.10 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 1ni1 h SER 212 CO -0.26 0.74 0.21 -0.07 -0.87 0.00 0.00 176.83 176.58 1ni1 h LEU 213 N -0.65 0.33 -0.84 5.97 3.38 -0.70 -1.50 115.31 121.31 1ni1 h LEU 213 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ni1 h LEU 213 Cb 0.74 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1ni1 h LEU 213 CO 0.01 0.24 0.00 0.35 0.09 0.00 0.00 178.44 179.13 1ni1 n THR 214 N -4.49 0.10 -1.69 0.22 -2.24 0.51 -4.16 114.28 102.53 1ni1 n THR 214 Ca 0.02 -0.25 -0.18 0.00 -2.27 0.00 0.00 64.05 61.38 1ni1 n THR 214 Cb 0.10 0.25 -0.06 0.00 -2.10 0.00 0.00 70.33 68.52 1ni1 n THR 214 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1ni1 n ASN 215 N 0.03 -5.18 -1.27 3.42 5.15 -0.57 -4.84 115.26 112.00 1ni1 n ASN 215 Ca 0.17 0.35 0.12 0.00 -0.60 0.00 0.00 54.58 54.62 1ni1 n ASN 215 Cb 0.29 -4.26 0.29 0.00 -0.53 0.00 0.00 39.78 35.56 1ni1 n ASN 215 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1ni1 n ILE 216 N -2.80 0.83 -2.24 -1.44 -5.35 -0.54 -4.22 119.36 103.60 1ni1 n ILE 216 Ca -0.19 -0.89 -0.40 0.00 -0.27 0.00 0.00 62.75 61.00 1ni1 n ILE 216 Cb 0.61 0.62 -0.03 0.00 -1.74 0.00 0.00 39.64 39.10 1ni1 n ILE 216 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1ni1 s ILE 217 N -1.17 2.99 0.34 7.28 1.01 -1.15 -4.72 121.20 125.77 1ni1 s ILE 217 Ca 0.45 0.96 0.09 0.00 0.00 0.00 0.00 60.65 62.15 1ni1 s ILE 217 Cb 0.24 -3.59 -0.05 0.00 0.01 0.00 0.00 42.46 39.07 1ni1 s ILE 217 CO 0.32 0.20 0.09 0.42 0.00 0.00 0.00 174.94 175.97 1ni1 s THR 218 N -1.20 2.85 -1.38 2.92 -4.23 -1.26 -4.97 115.64 108.38 1ni1 s THR 218 Ca 0.50 -1.81 0.01 0.00 -1.18 0.00 0.00 61.69 59.21 1ni1 s THR 218 Cb -0.36 -2.90 0.02 0.00 1.34 0.00 0.00 72.50 70.60 1ni1 s THR 218 CO 0.47 -0.19 0.86 -2.65 -0.54 0.00 0.00 174.62 172.57 1ni1 n PRO 219 N -1.07 0.02 0.00 3.99 -0.02 -1.26 -2.94 135.00 133.72 1ni1 n PRO 219 Ca -0.04 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1ni1 n PRO 219 Cb 0.62 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 1ni1 n PRO 219 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1ni1 n ASP 220 N -1.31 3.36 -0.10 2.55 3.85 -1.26 -4.84 116.55 118.80 1ni1 n ASP 220 Ca 0.01 0.00 0.01 0.00 -0.71 0.00 0.00 54.79 54.09 1ni1 n ASP 220 Cb 0.01 0.32 0.03 0.00 -1.35 0.00 0.00 41.12 40.13 1ni1 n ASP 220 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.20 176.08 1ni1 n LEU 221 N -1.56 -0.13 -3.00 -2.12 7.94 -1.15 -0.25 117.00 116.73 1ni1 n LEU 221 Ca 0.00 0.47 -0.35 0.00 -1.11 0.00 0.00 56.01 55.02 1ni1 n LEU 221 Cb 0.34 -0.13 0.01 0.00 0.53 0.00 0.00 43.42 44.17 1ni1 n LEU 221 CO 0.00 -0.44 0.95 0.49 -1.11 0.00 0.00 177.39 177.28 1ni1 n PHE 222 N -4.43 3.23 -3.05 1.96 3.01 -1.26 -4.98 117.46 111.94 1ni1 n PHE 222 Ca 0.04 -2.87 -0.39 0.00 1.01 0.00 0.00 57.45 55.23 1ni1 n PHE 222 Cb 0.12 -0.81 -0.05 0.00 -0.01 0.00 0.00 39.48 38.73 1ni1 n PHE 222 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1ni1 s GLU 223 N -3.91 4.45 0.00 -1.08 2.02 0.65 -3.81 118.70 117.02 1ni1 s GLU 223 Ca 0.47 0.99 0.00 0.00 0.02 0.00 0.00 54.97 56.46 1ni1 s GLU 223 Cb 0.34 -3.33 0.00 0.00 0.10 0.00 0.00 34.13 31.23 1ni1 s GLU 223 CO -0.24 0.37 0.00 0.41 0.02 0.00 0.00 175.26 175.82 1ni1 n GLY 224 N 2.22 1.44 0.25 -1.39 0.00 -1.26 -4.29 105.19 102.16 1ni1 n GLY 224 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 1ni1 n GLY 224 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ni1 h THR 225 N 0.00 0.00 -1.18 2.61 2.02 -1.74 0.77 112.91 115.40 1ni1 h THR 225 Ca 0.00 -0.29 0.39 0.00 0.77 0.00 0.00 66.41 67.27 1ni1 h THR 225 Cb 0.00 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.28 1ni1 h THR 225 CO 0.00 0.00 0.73 0.00 0.37 0.00 0.00 175.52 176.62 1ni1 h ALA 226 N -1.44 2.43 -0.17 6.16 0.00 -1.90 1.24 119.26 125.58 1ni1 h ALA 226 Ca -0.06 0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 1ni1 h ALA 226 Cb 0.45 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1ni1 h ALA 226 CO 0.10 -1.05 -0.62 0.93 0.00 0.00 0.00 179.25 178.61 1ni1 h GLU 227 N 0.17 0.60 0.16 0.00 3.07 -1.91 -2.53 114.58 114.14 1ni1 h GLU 227 Ca 0.77 -0.42 -0.30 0.00 -0.50 0.00 0.00 59.36 58.92 1ni1 h GLU 227 Cb 2.19 0.06 0.01 0.00 -0.84 0.00 0.00 28.75 30.18 1ni1 h GLU 227 CO -0.48 1.03 -1.38 2.35 -1.40 0.00 0.00 179.01 179.13 1ni1 h TRP 228 N 0.44 0.63 0.49 4.33 7.01 0.37 -2.99 115.95 126.22 1ni1 h TRP 228 Ca -0.01 -0.46 -0.01 0.00 2.11 0.00 0.00 58.89 60.52 1ni1 h TRP 228 Cb 1.19 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 28.20 1ni1 h TRP 228 CO 0.05 1.39 -0.46 0.82 -2.79 0.00 0.00 178.44 177.45 1ni1 h ILE 229 N 0.09 0.09 -0.93 2.65 2.04 0.20 -1.48 117.51 120.18 1ni1 h ILE 229 Ca -0.20 0.00 0.20 0.00 1.00 0.00 0.00 64.86 65.87 1ni1 h ILE 229 Cb 2.04 0.09 -0.07 0.00 -0.74 0.00 0.00 36.82 38.13 1ni1 h ILE 229 CO 0.22 0.00 0.60 0.00 0.00 0.00 0.00 178.15 178.97 1ni1 h ALA 230 N -0.72 2.11 0.00 1.87 0.00 -1.58 0.49 119.26 121.43 1ni1 h ALA 230 Ca -0.05 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ni1 h ALA 230 Cb 0.83 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1ni1 h ALA 230 CO -0.05 -0.41 0.05 0.54 0.00 0.00 0.00 179.25 179.39 1ni1 n ARG 231 N -4.56 0.00 0.07 0.00 1.74 -0.56 -0.29 116.66 113.05 1ni1 n ARG 231 Ca 0.20 0.44 0.12 0.00 -0.77 0.00 0.00 57.85 57.84 1ni1 n ARG 231 Cb 0.67 -1.55 0.06 0.00 -1.02 0.00 0.00 32.46 30.62 1ni1 n ARG 231 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ni1 s GLN 233 N -3.26 3.45 0.09 0.00 0.74 0.60 -2.80 119.66 118.48 1ni1 s GLN 233 Ca 0.03 1.90 -0.00 0.00 0.05 0.00 0.00 55.36 57.33 1ni1 s GLN 233 Cb 0.12 -4.24 0.02 0.00 1.10 0.00 0.00 33.01 30.01 1ni1 s GLN 233 CO 0.77 -1.73 0.13 0.27 -0.55 0.00 0.00 175.29 174.17 1ni1 n ASN 234 N 10.16 0.12 0.00 6.67 6.94 -1.05 -4.95 115.26 133.15 1ni1 n ASN 234 Ca 0.25 -1.11 0.03 0.00 -0.02 0.00 0.00 54.58 53.72 1ni1 n ASN 234 Cb 0.45 -0.09 0.13 0.00 -2.36 0.00 0.00 39.78 37.91 1ni1 n ASN 234 CO 0.00 0.00 0.00 -2.67 -1.03 0.00 0.00 177.26 173.56 1ni1 n TRP 235 N -1.71 0.00 -2.08 -2.53 4.27 -1.26 -2.95 117.44 111.18 1ni1 n TRP 235 Ca 0.02 0.00 -0.27 0.00 -3.89 0.00 0.00 57.50 53.36 1ni1 n TRP 235 Cb 0.07 -0.37 0.02 0.00 -1.36 0.00 0.00 31.31 29.66 1ni1 n TRP 235 CO 0.00 0.00 0.00 -0.85 -2.29 0.00 0.00 177.69 174.55 1ni1 n GLU 236 N -1.37 3.43 0.00 -2.67 0.28 -1.26 -4.97 120.64 114.07 1ni1 n GLU 236 Ca 0.02 -4.15 0.00 0.00 -0.16 0.00 0.00 57.16 52.87 1ni1 n GLU 236 Cb 0.05 -2.27 0.00 0.00 1.43 0.00 0.00 31.44 30.65 1ni1 n GLU 236 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ni1 n GLY 237 N -0.65 0.11 0.00 -1.84 0.00 -1.15 -4.80 105.19 96.85 1ni1 n GLY 237 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1ni1 n GLY 237 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ni1 n GLY 238 N 0.00 -1.71 2.89 -0.02 0.00 -1.26 -3.71 105.19 101.38 1ni1 n GLY 238 Ca 0.00 -1.48 -0.11 0.00 0.00 0.00 0.00 46.02 44.43 1ni1 n GLY 238 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ni1 s ILE 239 N -0.08 0.02 0.47 -0.61 1.01 -1.26 -2.54 121.20 118.20 1ni1 s ILE 239 Ca 0.00 -0.17 0.07 0.00 0.00 0.00 0.00 60.65 60.55 1ni1 s ILE 239 Cb 0.00 -0.06 -0.00 0.00 0.01 0.00 0.00 42.46 42.41 1ni1 s ILE 239 CO 0.00 -0.09 0.38 -0.83 0.00 0.00 0.00 174.94 174.40 1ni1 s GLY 240 N -0.27 2.22 0.17 6.18 0.00 -1.12 -0.37 107.32 114.13 1ni1 s GLY 240 Ca -0.03 -1.73 -0.12 0.00 0.00 0.00 0.00 44.72 42.84 1ni1 s GLY 240 CO -0.00 -1.80 1.75 -1.33 0.00 0.00 0.00 173.10 171.71 1ni1 h GLY 241 N 0.95 0.94 -4.94 0.20 0.00 -1.82 -3.43 103.07 94.96 1ni1 h GLY 241 Ca -0.39 -0.49 -0.22 0.00 0.00 0.00 0.00 47.33 46.22 1ni1 h GLY 241 CO 0.58 0.46 -0.72 -1.34 0.00 0.00 0.00 176.54 175.52 1ni1 s VAL 242 N -5.64 0.29 0.17 4.60 -7.23 -1.26 -1.33 120.40 110.00 1ni1 s VAL 242 Ca -0.13 -0.90 -0.30 0.00 -1.81 0.00 0.00 61.98 58.85 1ni1 s VAL 242 Cb 0.13 -0.39 -0.17 0.00 0.56 0.00 0.00 36.38 36.50 1ni1 s VAL 242 CO 0.79 -0.39 0.64 -2.65 -0.31 0.00 0.00 175.10 173.18 1ni1 n PRO 243 N 1.69 0.07 0.00 4.82 -0.02 -1.26 -0.30 135.00 140.00 1ni1 n PRO 243 Ca -0.22 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 1ni1 n PRO 243 Cb 0.55 -1.13 0.00 0.00 -0.02 0.00 0.00 33.50 32.90 1ni1 n PRO 243 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ni1 n GLY 244 N 1.89 2.24 3.78 -1.23 0.00 -1.26 -5.02 105.19 105.59 1ni1 n GLY 244 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1ni1 n GLY 244 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ni1 s MET 245 N -0.30 4.50 0.53 1.61 -1.94 0.59 -5.02 119.30 119.26 1ni1 s MET 245 Ca 0.00 1.08 -0.19 0.00 -1.71 0.00 0.00 55.69 54.87 1ni1 s MET 245 Cb 0.00 -3.26 -0.10 0.00 2.01 0.00 0.00 34.83 33.48 1ni1 s MET 245 CO 0.00 0.58 0.47 -1.91 -0.01 0.00 0.00 175.02 174.14 1ni1 n GLU 246 N 1.65 0.49 -2.13 2.03 2.13 -1.26 -3.77 120.64 119.78 1ni1 n GLU 246 Ca -0.06 0.19 -0.42 0.00 0.66 0.00 0.00 57.16 57.52 1ni1 n GLU 246 Cb 0.49 -1.59 -0.03 0.00 0.27 0.00 0.00 31.44 30.58 1ni1 n GLU 246 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ni1 s ALA 247 N -1.69 3.61 0.04 4.31 0.00 -1.26 -3.90 121.76 122.86 1ni1 s ALA 247 Ca 0.66 1.17 0.03 0.00 0.00 0.00 0.00 51.96 53.82 1ni1 s ALA 247 Cb -0.49 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.07 1ni1 s ALA 247 CO 0.56 -0.63 -0.09 -1.58 0.00 0.00 0.00 175.76 174.02 1ni1 s HIS 248 N 0.82 0.80 0.19 0.00 2.46 0.50 -4.65 115.29 115.42 1ni1 s HIS 248 Ca 0.63 -0.40 -0.07 0.00 0.47 0.00 0.00 55.06 55.69 1ni1 s HIS 248 Cb -0.38 -0.48 0.10 0.00 -0.13 0.00 0.00 32.58 31.70 1ni1 s HIS 248 CO 0.33 -0.03 1.60 0.78 -2.47 0.00 0.00 174.74 174.95 1ni1 h GLY 249 N 4.78 0.98 1.63 1.59 0.00 -1.35 -0.29 103.07 110.41 1ni1 h GLY 249 Ca -0.36 -0.83 -0.12 0.00 0.00 0.00 0.00 47.33 46.03 1ni1 h GLY 249 CO 0.43 0.76 -0.39 -1.33 0.00 0.00 0.00 176.54 176.00 1ni1 h GLY 250 N 0.93 0.45 0.94 4.60 0.00 -1.87 -2.37 103.07 105.75 1ni1 h GLY 250 Ca 0.11 -0.43 -0.23 0.00 0.00 0.00 0.00 47.33 46.79 1ni1 h GLY 250 CO 0.06 0.39 -0.94 -0.97 0.00 0.00 0.00 176.54 175.07 1ni1 h TYR 251 N 0.34 0.76 -0.91 5.60 0.99 -1.82 -2.79 116.97 119.15 1ni1 h TYR 251 Ca 0.03 -0.49 0.02 0.00 2.00 0.00 0.00 58.73 60.29 1ni1 h TYR 251 Cb 0.85 -0.06 -0.05 0.00 1.00 0.00 0.00 36.73 38.47 1ni1 h TYR 251 CO 0.02 1.34 0.60 1.15 -0.00 0.00 0.00 178.16 181.28 1ni1 h THR 252 N -0.03 1.21 0.12 -2.88 2.02 -1.02 0.26 112.91 112.58 1ni1 h THR 252 Ca -0.15 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 1ni1 h THR 252 Cb 1.67 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1ni1 h THR 252 CO 0.18 0.22 -0.06 0.15 0.37 0.00 0.00 175.52 176.39 1ni1 h PHE 253 N 1.21 -0.14 -0.88 3.16 3.57 -1.49 -0.63 116.94 121.74 1ni1 h PHE 253 Ca 0.34 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.95 1ni1 h PHE 253 Cb -0.10 0.05 -0.08 0.00 2.79 0.00 0.00 35.95 38.61 1ni1 h PHE 253 CO -0.00 0.07 0.51 0.00 -2.23 0.00 0.00 178.31 176.66 1ni1 h GLY 255 N 0.82 -0.17 0.93 0.00 0.00 -0.36 -1.39 103.07 102.89 1ni1 h GLY 255 Ca 0.43 0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.80 1ni1 h GLY 255 CO -0.27 -0.06 0.12 -2.00 0.00 0.00 0.00 176.54 174.33 1ni1 h LEU 256 N -0.55 0.52 -0.98 3.11 5.85 -0.81 -0.81 115.31 121.63 1ni1 h LEU 256 Ca -0.02 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 1ni1 h LEU 256 Cb 0.44 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 1ni1 h LEU 256 CO 0.03 0.57 0.49 0.00 -0.34 0.00 0.00 178.44 179.19 1ni1 h ALA 257 N 0.96 1.22 -0.26 1.25 0.00 -0.03 -0.90 119.26 121.50 1ni1 h ALA 257 Ca 0.12 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1ni1 h ALA 257 Cb 0.23 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1ni1 h ALA 257 CO -0.01 0.64 0.01 0.00 0.00 0.00 0.00 179.25 179.90 1ni1 h ALA 258 N 1.32 0.35 -0.17 0.00 0.00 -1.07 -1.29 119.26 118.41 1ni1 h ALA 258 Ca 0.31 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ni1 h ALA 258 Cb 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1ni1 h ALA 258 CO -0.05 0.07 0.11 -0.07 0.00 0.00 0.00 179.25 179.31 1ni1 h LEU 259 N 0.25 0.19 -0.03 0.00 3.38 -0.75 -0.82 115.31 117.52 1ni1 h LEU 259 Ca 0.08 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1ni1 h LEU 259 Cb 0.39 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1ni1 h LEU 259 CO 0.01 0.14 -0.02 0.58 0.09 0.00 0.00 178.44 179.24 1ni1 h VAL 260 N 0.22 1.33 -0.71 1.22 2.07 -0.60 0.81 116.25 120.59 1ni1 h VAL 260 Ca 0.06 -1.02 0.09 0.00 0.82 0.00 0.00 66.70 66.65 1ni1 h VAL 260 Cb -0.02 1.95 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 1ni1 h VAL 260 CO -0.01 0.27 0.47 0.40 0.02 0.00 0.00 177.57 178.72 1ni1 h ILE 261 N -0.33 0.95 0.00 4.57 2.04 -0.54 0.32 117.51 124.53 1ni1 h ILE 261 Ca 0.01 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1ni1 h ILE 261 Cb 0.45 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1ni1 h ILE 261 CO 0.01 0.12 -0.45 -0.07 0.00 0.00 0.00 178.15 177.75 1ni1 h LEU 262 N 0.64 0.00 0.56 1.44 3.38 -0.95 -3.48 115.31 116.89 1ni1 h LEU 262 Ca 0.32 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 58.11 1ni1 h LEU 262 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1ni1 h LEU 262 CO -0.11 0.03 -0.16 0.29 0.09 0.00 0.00 178.44 178.57 1ni1 n LYS 263 N -2.57 -0.81 -0.60 1.13 5.02 0.25 -4.94 118.16 115.64 1ni1 n LYS 263 Ca 0.03 0.29 0.02 0.00 -2.02 0.00 0.00 58.31 56.63 1ni1 n LYS 263 Cb 0.49 -4.02 0.20 0.00 -0.02 0.00 0.00 35.03 31.68 1ni1 n LYS 263 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ni1 n LYS 264 N -1.63 1.90 -0.32 1.97 4.76 0.70 -4.75 118.16 120.79 1ni1 n LYS 264 Ca -0.06 -3.06 0.09 0.00 -2.87 0.00 0.00 58.31 52.41 1ni1 n LYS 264 Cb 0.55 -1.74 0.19 0.00 -1.84 0.00 0.00 35.03 32.19 1ni1 n LYS 264 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1ni1 n GLU 265 N -1.06 -0.08 0.00 1.97 4.71 -1.23 0.11 120.64 125.07 1ni1 n GLU 265 Ca 0.26 1.41 0.00 0.00 -0.01 0.00 0.00 57.16 58.81 1ni1 n GLU 265 Cb 0.89 -2.16 0.00 0.00 -1.01 0.00 0.00 31.44 29.16 1ni1 n GLU 265 CO 0.00 0.00 0.00 2.89 0.09 0.00 0.00 177.13 180.11 1ni1 n ARG 266 N -5.43 0.00 0.12 3.49 0.00 -1.26 -1.87 116.66 111.71 1ni1 n ARG 266 Ca 0.18 0.00 0.08 0.00 -0.00 0.00 0.00 57.85 58.10 1ni1 n ARG 266 Cb 0.57 -1.14 0.02 0.00 -0.00 0.00 0.00 32.46 31.92 1ni1 n ARG 266 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 1ni1 h SER 267 N 0.00 0.00 -1.14 2.89 0.02 0.38 -3.47 113.55 112.23 1ni1 h SER 267 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1ni1 h SER 267 Cb 0.00 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 1ni1 h SER 267 CO 0.00 0.21 -0.34 -0.76 -1.14 0.00 0.00 176.83 174.80 1ni1 s LEU 268 N -5.81 3.11 -1.20 5.07 1.43 -0.78 -4.88 118.68 115.61 1ni1 s LEU 268 Ca 0.01 -0.96 -0.14 0.00 -1.03 0.00 0.00 54.13 52.01 1ni1 s LEU 268 Cb 0.08 -1.67 0.16 0.00 0.03 0.00 0.00 46.19 44.79 1ni1 s LEU 268 CO 0.76 -0.85 1.44 0.21 0.23 0.00 0.00 176.35 178.14 1ni1 s ASN 269 N -4.20 7.03 0.40 2.29 3.84 -1.26 -4.83 114.94 118.20 1ni1 s ASN 269 Ca 0.44 -2.89 0.19 0.00 0.21 0.00 0.00 52.86 50.81 1ni1 s ASN 269 Cb -0.02 -2.42 1.12 0.00 -0.55 0.00 0.00 41.25 39.38 1ni1 s ASN 269 CO 0.26 -0.80 1.77 -0.07 -2.79 0.00 0.00 177.10 175.47 1ni1 h LEU 270 N 10.00 0.43 -0.72 3.21 -0.00 -1.95 0.13 115.31 126.40 1ni1 h LEU 270 Ca 0.32 0.08 -0.14 0.00 -0.00 0.00 0.00 57.88 58.14 1ni1 h LEU 270 Cb 0.88 0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.54 1ni1 h LEU 270 CO 1.25 0.08 -0.56 0.11 -0.00 0.00 0.00 178.44 179.32 1ni1 h LYS 271 N 0.38 0.22 0.06 1.13 1.79 -2.00 -1.37 116.57 116.79 1ni1 h LYS 271 Ca 0.59 -0.14 -0.25 0.00 -2.18 0.00 0.00 60.65 58.67 1ni1 h LYS 271 Cb 1.52 0.02 0.01 0.00 -1.58 0.00 0.00 32.23 32.20 1ni1 h LYS 271 CO -0.29 0.72 -1.09 1.03 -1.08 0.00 0.00 179.45 178.75 1ni1 h SER 272 N 0.17 0.54 -0.25 0.86 0.87 -1.17 -2.72 113.55 111.84 1ni1 h SER 272 Ca -0.00 -0.49 -0.07 0.00 -1.23 0.00 0.00 61.79 60.00 1ni1 h SER 272 Cb 1.04 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.83 1ni1 h SER 272 CO 0.09 1.32 -0.11 0.25 -0.53 0.00 0.00 176.83 177.85 1ni1 h LEU 273 N 0.18 0.54 0.01 2.23 5.85 -1.14 -2.32 115.31 120.66 1ni1 h LEU 273 Ca -0.11 -0.40 0.03 0.00 0.84 0.00 0.00 57.88 58.24 1ni1 h LEU 273 Cb 1.76 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.60 1ni1 h LEU 273 CO 0.19 0.82 -0.28 0.25 -0.34 0.00 0.00 178.44 179.08 1ni1 h LEU 274 N 0.25 -0.82 -1.47 2.25 5.85 -1.27 0.31 115.31 120.43 1ni1 h LEU 274 Ca 0.06 0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.99 1ni1 h LEU 274 Cb 0.61 0.33 -0.05 0.00 0.37 0.00 0.00 40.66 41.92 1ni1 h LEU 274 CO 0.03 -0.35 0.48 -0.61 -0.34 0.00 0.00 178.44 177.66 1ni1 h GLN 275 N -0.43 0.58 0.31 1.25 4.15 -1.49 0.25 115.11 119.73 1ni1 h GLN 275 Ca 0.06 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 1ni1 h GLN 275 Cb 0.51 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.07 1ni1 h GLN 275 CO -0.23 0.38 -0.15 2.35 -1.93 0.00 0.00 178.83 179.25 1ni1 h TRP 276 N 0.59 -0.38 0.56 3.99 7.01 -0.42 -2.28 115.95 125.02 1ni1 h TRP 276 Ca 0.33 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.30 1ni1 h TRP 276 Cb 0.51 0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.69 1ni1 h TRP 276 CO -0.00 -0.04 -0.36 -0.24 -2.79 0.00 0.00 178.44 175.01 1ni1 h VAL 277 N -0.82 0.26 -1.18 2.65 3.04 0.07 -1.46 116.25 118.81 1ni1 h VAL 277 Ca -0.04 0.00 0.34 0.00 -1.01 0.00 0.00 66.70 65.99 1ni1 h VAL 277 Cb 0.52 0.26 -0.08 0.00 -2.01 0.00 0.00 31.29 29.98 1ni1 h VAL 277 CO 0.07 0.00 0.80 0.71 -1.01 0.00 0.00 177.57 178.14 1ni1 h THR 278 N -0.88 0.39 0.00 3.17 1.35 -0.61 2.17 112.91 118.49 1ni1 h THR 278 Ca -0.07 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1ni1 h THR 278 Cb 0.72 0.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.33 1ni1 h THR 278 CO 0.06 0.03 0.00 -1.20 -0.25 0.00 0.00 175.52 174.16 1ni1 n SER 279 N -4.46 0.62 0.00 5.36 7.64 -0.58 -3.06 113.62 119.14 1ni1 n SER 279 Ca 0.28 0.63 0.14 0.00 1.01 0.00 0.00 58.87 60.94 1ni1 n SER 279 Cb 1.16 -0.77 0.67 0.00 -1.01 0.00 0.00 64.21 64.26 1ni1 n SER 279 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ni1 n ARG 280 N -2.16 0.16 -2.67 1.43 5.12 0.73 -4.77 116.66 114.51 1ni1 n ARG 280 Ca 0.03 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.53 1ni1 n ARG 280 Cb 0.26 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 30.03 1ni1 n ARG 280 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1ni1 s GLN 281 N -2.84 4.58 0.09 5.56 0.74 -1.17 -0.41 119.66 126.21 1ni1 s GLN 281 Ca 0.19 1.48 -0.31 0.00 0.05 0.00 0.00 55.36 56.78 1ni1 s GLN 281 Cb 0.19 -3.42 -0.07 0.00 1.10 0.00 0.00 33.01 30.82 1ni1 s GLN 281 CO 0.50 -0.01 1.25 -1.64 -0.55 0.00 0.00 175.29 174.84 1ni1 s MET 282 N 0.74 4.41 0.22 1.67 -1.94 0.21 -4.94 119.30 119.67 1ni1 s MET 282 Ca 0.52 1.87 -0.05 0.00 -1.71 0.00 0.00 55.69 56.31 1ni1 s MET 282 Cb -0.23 -3.30 0.20 0.00 2.01 0.00 0.00 34.83 33.51 1ni1 s MET 282 CO 0.29 -0.28 1.69 0.07 -0.01 0.00 0.00 175.02 176.78 1ni1 h ARG 283 N 6.55 0.92 0.00 2.03 0.11 -1.89 -2.35 114.38 119.75 1ni1 h ARG 283 Ca -0.42 -0.28 0.00 0.00 0.10 0.00 0.00 59.98 59.38 1ni1 h ARG 283 Cb 1.21 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.20 1ni1 h ARG 283 CO 0.81 0.93 -0.11 0.35 0.10 0.00 0.00 179.97 182.05 1ni1 h PHE 284 N 0.84 0.00 -0.51 4.08 3.57 -1.93 -3.40 116.94 119.59 1ni1 h PHE 284 Ca 0.15 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.74 1ni1 h PHE 284 Cb 0.53 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.17 1ni1 h PHE 284 CO 0.03 0.00 -0.35 0.93 -2.23 0.00 0.00 178.31 176.69 1ni1 h GLU 285 N -0.25 -0.20 0.00 1.11 3.07 -1.92 -3.46 114.58 112.93 1ni1 h GLU 285 Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1ni1 h GLU 285 Cb 0.11 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1ni1 h GLU 285 CO 0.00 -0.14 0.00 0.41 -1.40 0.00 0.00 179.01 177.88 1ni1 n GLY 286 N -1.42 2.17 3.95 -3.84 0.00 -0.88 -4.66 105.19 100.50 1ni1 n GLY 286 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 1ni1 n GLY 286 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ni1 s GLY 287 N -2.19 1.75 0.16 -0.02 0.00 -1.26 -3.62 107.32 102.14 1ni1 s GLY 287 Ca 0.00 -1.29 -0.04 0.00 0.00 0.00 0.00 44.72 43.38 1ni1 s GLY 287 CO 0.00 -0.66 0.39 -1.36 0.00 0.00 0.00 173.10 171.47 1ni1 s PHE 288 N -3.53 3.47 0.06 1.90 0.40 -1.26 0.64 117.98 119.66 1ni1 s PHE 288 Ca 0.69 0.54 0.04 0.00 -0.60 0.00 0.00 56.93 57.59 1ni1 s PHE 288 Cb -0.06 -1.99 -0.04 0.00 0.51 0.00 0.00 43.02 41.44 1ni1 s PHE 288 CO 0.49 0.40 -0.01 1.14 0.70 0.00 0.00 175.22 177.94 1ni1 s GLN 289 N -2.82 2.59 0.21 0.44 -2.07 0.45 -2.28 119.66 116.17 1ni1 s GLN 289 Ca 0.41 -0.78 0.04 0.00 -1.82 0.00 0.00 55.36 53.22 1ni1 s GLN 289 Cb -0.12 -2.56 0.15 0.00 -1.09 0.00 0.00 33.01 29.40 1ni1 s GLN 289 CO 0.26 0.57 1.49 0.78 -1.32 0.00 0.00 175.29 177.06 1ni1 h GLY 290 N 3.79 0.21 -4.94 2.60 0.00 -1.88 -3.46 103.07 99.39 1ni1 h GLY 290 Ca -0.48 -0.30 -0.15 0.00 0.00 0.00 0.00 47.33 46.39 1ni1 h GLY 290 CO 0.58 0.27 -0.47 0.50 0.00 0.00 0.00 176.54 177.42 1ni1 s ARG 291 N -3.50 0.42 0.13 4.80 0.52 -1.26 -0.97 118.95 119.08 1ni1 s ARG 291 Ca -0.03 -0.16 -0.35 0.00 -0.52 0.00 0.00 55.73 54.67 1ni1 s ARG 291 Cb 0.11 0.18 -0.15 0.00 0.52 0.00 0.00 34.95 35.61 1ni1 s ARG 291 CO 0.81 -0.09 1.39 0.00 0.02 0.00 0.00 175.30 177.42 1ni1 n ASN 293 N 2.69 -2.75 -4.59 0.00 3.02 -1.26 -5.05 115.26 107.32 1ni1 n ASN 293 Ca 0.17 -0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.44 1ni1 n ASN 293 Cb 0.24 -2.05 -0.10 0.00 -0.61 0.00 0.00 39.78 37.25 1ni1 n ASN 293 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1ni1 s LYS 294 N -4.33 1.95 0.96 3.52 -0.14 -0.85 -4.98 119.74 115.87 1ni1 s LYS 294 Ca 0.00 -2.14 -0.15 0.00 -1.36 0.00 0.00 55.97 52.32 1ni1 s LYS 294 Cb 0.00 -1.41 0.19 0.00 -1.68 0.00 0.00 37.83 34.93 1ni1 s LYS 294 CO 0.00 -0.17 1.26 -0.51 -0.76 0.00 0.00 175.35 175.17 1ni1 s LEU 295 N -3.70 2.37 0.55 3.17 1.43 -1.26 -4.83 118.68 116.41 1ni1 s LEU 295 Ca 0.28 0.45 -0.14 0.00 -1.03 0.00 0.00 54.13 53.69 1ni1 s LEU 295 Cb 0.08 -2.55 -0.06 0.00 0.03 0.00 0.00 46.19 43.68 1ni1 s LEU 295 CO 0.14 -2.76 1.00 -0.69 0.23 0.00 0.00 176.35 174.28 1ni1 s VAL 296 N -3.68 4.60 -0.29 -1.59 1.01 -1.26 -4.08 120.40 115.11 1ni1 s VAL 296 Ca 0.71 1.09 -0.08 0.00 0.00 0.00 0.00 61.98 63.69 1ni1 s VAL 296 Cb -0.07 -3.78 0.13 0.00 0.00 0.00 0.00 36.38 32.67 1ni1 s VAL 296 CO 0.53 -0.86 0.61 -0.62 0.00 0.00 0.00 175.10 174.76 1ni1 s ASP 297 N -3.48 -1.04 0.33 3.32 3.68 -0.97 -4.72 116.67 113.80 1ni1 s ASP 297 Ca 0.57 1.40 0.10 0.00 2.13 0.00 0.00 52.55 56.75 1ni1 s ASP 297 Cb -0.10 2.15 1.00 0.00 -1.45 0.00 0.00 42.92 44.51 1ni1 s ASP 297 CO 0.40 -0.23 1.54 0.61 0.13 0.00 0.00 175.17 177.62 1ni1 n GLY 298 N 5.44 -1.07 0.24 2.66 0.00 -0.36 -0.65 105.19 111.45 1ni1 n GLY 298 Ca -0.10 0.89 0.08 0.00 0.00 0.00 0.00 46.02 46.89 1ni1 n GLY 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ni1 n TYR 300 N -4.08 0.00 0.54 0.00 0.53 0.18 -1.55 117.16 112.77 1ni1 n TYR 300 Ca -0.02 0.00 0.11 0.00 -1.02 0.00 0.00 57.90 56.97 1ni1 n TYR 300 Cb 0.23 -0.04 0.44 0.00 -1.03 0.00 0.00 39.34 38.94 1ni1 n TYR 300 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 1ni1 n SER 301 N -1.04 0.42 -0.06 7.72 7.64 -0.22 -1.41 113.62 126.67 1ni1 n SER 301 Ca 0.14 0.58 -0.13 0.00 1.01 0.00 0.00 58.87 60.47 1ni1 n SER 301 Cb 0.08 -0.68 -0.04 0.00 -1.01 0.00 0.00 64.21 62.56 1ni1 n SER 301 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1ni1 n PHE 302 N -1.94 0.00 -0.08 1.43 7.35 -0.60 -3.97 117.46 119.65 1ni1 n PHE 302 Ca 0.04 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.64 1ni1 n PHE 302 Cb 0.26 -0.43 -0.01 0.00 0.35 0.00 0.00 39.48 39.65 1ni1 n PHE 302 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 1ni1 h TRP 303 N -0.45 0.30 0.00 -5.13 -0.00 -1.57 0.74 115.95 109.83 1ni1 h TRP 303 Ca -0.29 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.61 1ni1 h TRP 303 Cb 1.20 -0.09 0.00 0.00 -0.00 0.00 0.00 29.16 30.26 1ni1 h TRP 303 CO -0.06 0.18 -0.03 1.96 -0.00 0.00 0.00 178.44 180.49 1ni1 h GLN 304 N 0.33 0.00 -0.99 0.49 1.08 -1.47 -3.33 115.11 111.22 1ni1 h GLN 304 Ca 0.11 0.00 0.22 0.00 -1.45 0.00 0.00 58.65 57.53 1ni1 h GLN 304 Cb 0.01 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 27.34 1ni1 h GLN 304 CO -0.06 0.00 0.62 0.00 -0.95 0.00 0.00 178.83 178.44 1ni1 h ALA 305 N -1.61 1.93 0.00 3.87 0.00 -1.65 0.26 119.26 122.07 1ni1 h ALA 305 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ni1 h ALA 305 Cb 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ni1 h ALA 305 CO 0.00 -0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.36 1ni1 n GLY 306 N -1.40 -0.72 0.13 0.00 0.00 0.26 -1.99 105.19 101.47 1ni1 n GLY 306 Ca 0.23 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 1ni1 n GLY 306 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ni1 h LEU 307 N 0.00 0.24 -1.01 0.99 5.85 -0.59 -3.32 115.31 117.47 1ni1 h LEU 307 Ca 0.00 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.48 1ni1 h LEU 307 Cb 0.12 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1ni1 h LEU 307 CO 0.00 0.96 0.14 -0.07 -0.34 0.00 0.00 178.44 179.14 1ni1 h LEU 308 N 0.11 0.80 -1.52 2.25 4.07 -1.53 -1.22 115.31 118.26 1ni1 h LEU 308 Ca -0.04 -0.14 -0.05 0.00 0.08 0.00 0.00 57.88 57.73 1ni1 h LEU 308 Cb 1.43 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.96 1ni1 h LEU 308 CO 0.13 0.77 -0.24 -0.65 -1.08 0.00 0.00 178.44 177.37 1ni1 h PRO 309 N 0.83 0.00 0.00 1.13 0.11 -1.73 -2.05 132.00 130.28 1ni1 h PRO 309 Ca 0.18 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.29 1ni1 h PRO 309 Cb 0.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.40 1ni1 h PRO 309 CO -0.00 0.24 -0.00 -0.07 -0.21 0.00 0.00 178.00 177.96 1ni1 h LEU 310 N 0.00 -0.00 -1.84 2.35 3.38 -1.57 -2.93 115.31 114.70 1ni1 h LEU 310 Ca -0.00 -0.91 0.10 0.00 0.09 0.00 0.00 57.88 57.16 1ni1 h LEU 310 Cb 0.51 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1ni1 h LEU 310 CO 0.03 0.94 0.32 -0.07 0.09 0.00 0.00 178.44 179.74 1ni1 h LEU 311 N -0.97 0.17 0.64 1.67 3.38 -1.24 -1.01 115.31 117.96 1ni1 h LEU 311 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1ni1 h LEU 311 Cb 0.91 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.64 1ni1 h LEU 311 CO 0.00 0.10 -0.31 -0.74 0.09 0.00 0.00 178.44 177.58 1ni1 h HIS 312 N 0.19 -0.80 -0.59 1.13 2.76 -1.42 0.30 115.15 116.72 1ni1 h HIS 312 Ca 0.21 -0.02 0.08 0.00 -2.20 0.00 0.00 60.37 58.45 1ni1 h HIS 312 Cb 0.60 0.27 -0.04 0.00 1.55 0.00 0.00 27.41 29.79 1ni1 h HIS 312 CO -0.00 -0.46 0.39 0.00 -1.30 0.00 0.00 177.93 176.56 1ni1 h ARG 313 N -1.00 0.44 0.18 5.26 2.47 -1.12 0.11 114.38 120.73 1ni1 h ARG 313 Ca -0.09 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.60 1ni1 h ARG 313 Cb 0.70 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.92 1ni1 h ARG 313 CO 0.15 0.29 -0.09 0.00 0.56 0.00 0.00 179.97 180.88 1ni1 h ALA 314 N 1.70 -0.25 0.06 0.04 0.00 -0.98 0.29 119.26 120.12 1ni1 h ALA 314 Ca 0.27 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1ni1 h ALA 314 Cb 0.45 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1ni1 h ALA 314 CO -0.07 -0.32 -0.45 -0.07 0.00 0.00 0.00 179.25 178.33 1ni1 h LEU 315 N -0.89 -1.36 -0.57 0.00 3.38 -0.08 0.40 115.31 116.19 1ni1 h LEU 315 Ca -0.03 0.16 0.09 0.00 0.09 0.00 0.00 57.88 58.19 1ni1 h LEU 315 Cb 0.51 0.52 -0.07 0.00 0.09 0.00 0.00 40.66 41.71 1ni1 h LEU 315 CO 0.04 -0.50 0.19 -0.74 0.09 0.00 0.00 178.44 177.53 1ni1 h HIS 316 N -0.65 0.33 -1.09 1.13 2.76 -1.07 0.67 115.15 117.23 1ni1 h HIS 316 Ca 0.03 0.03 0.30 0.00 -2.20 0.00 0.00 60.37 58.53 1ni1 h HIS 316 Cb 0.69 -0.06 -0.10 0.00 1.55 0.00 0.00 27.41 29.48 1ni1 h HIS 316 CO -0.42 0.08 0.70 0.00 -1.30 0.00 0.00 177.93 176.98 1ni1 h ALA 317 N 1.40 2.31 0.00 5.26 0.00 0.21 3.38 119.26 131.81 1ni1 h ALA 317 Ca 0.28 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1ni1 h ALA 317 Cb 0.35 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ni1 h ALA 317 CO -0.30 -0.78 0.00 1.04 0.00 0.00 0.00 179.25 179.22 1ni1 n GLN 318 N -4.67 0.02 -0.77 0.00 6.02 0.23 -4.89 117.38 113.32 1ni1 n GLN 318 Ca 0.28 0.13 0.00 0.00 -0.01 0.00 0.00 57.00 57.40 1ni1 n GLN 318 Cb 0.99 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 30.72 1ni1 n GLN 318 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ni1 n GLY 319 N 0.82 1.32 3.68 1.08 0.00 1.12 -5.05 105.19 108.16 1ni1 n GLY 319 Ca 0.05 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 1ni1 n GLY 319 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ni1 s ASP 320 N -2.37 7.06 0.01 1.61 3.68 -1.12 -4.93 116.67 120.62 1ni1 s ASP 320 Ca 0.00 1.67 0.23 0.00 2.13 0.00 0.00 52.55 56.58 1ni1 s ASP 320 Cb 0.00 -2.55 0.21 0.00 -1.45 0.00 0.00 42.92 39.13 1ni1 s ASP 320 CO 0.00 -0.62 1.19 -0.81 0.13 0.00 0.00 175.17 175.06 1ni1 n PRO 321 N 5.73 0.07 -0.42 4.34 -0.04 -1.26 -3.97 135.00 139.44 1ni1 n PRO 321 Ca 0.12 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.64 1ni1 n PRO 321 Cb 0.46 -1.53 0.25 0.00 -0.04 0.00 0.00 33.50 32.64 1ni1 n PRO 321 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ni1 n ALA 322 N -1.58 2.90 -2.61 0.55 0.00 -1.26 -4.88 120.51 113.63 1ni1 n ALA 322 Ca 0.04 -1.08 -0.39 0.00 0.00 0.00 0.00 53.44 52.01 1ni1 n ALA 322 Cb 0.36 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.74 1ni1 n ALA 322 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ni1 s LEU 323 N -1.41 4.36 1.08 0.00 1.43 -1.25 -5.06 118.68 117.82 1ni1 s LEU 323 Ca 0.35 1.15 -0.15 0.00 -1.03 0.00 0.00 54.13 54.45 1ni1 s LEU 323 Cb 0.23 -2.98 0.22 0.00 0.03 0.00 0.00 46.19 43.68 1ni1 s LEU 323 CO 0.17 -0.01 0.46 -0.24 0.23 0.00 0.00 176.35 176.96 1ni1 n SER 324 N 3.31 -3.23 0.00 2.29 2.88 -1.26 -5.00 113.62 112.61 1ni1 n SER 324 Ca -0.04 -0.48 0.00 0.00 -1.33 0.00 0.00 58.87 57.01 1ni1 n SER 324 Cb 0.51 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 1ni1 n SER 324 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1ni1 n MET 325 N -2.52 0.00 0.00 -1.46 1.56 -1.26 -4.92 117.12 108.52 1ni1 n MET 325 Ca 0.07 -0.28 0.00 0.00 -0.27 0.00 0.00 57.70 57.23 1ni1 n MET 325 Cb 0.38 -0.35 0.00 0.00 2.15 0.00 0.00 33.22 35.39 1ni1 n MET 325 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1ni1 n SER 326 N 0.00 1.78 -4.27 6.12 3.41 -1.26 -4.60 113.62 114.79 1ni1 n SER 326 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.43 1ni1 n SER 326 Cb 0.45 0.15 -0.11 0.00 -0.26 0.00 0.00 64.21 64.44 1ni1 n SER 326 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1ni1 s HIS 327 N -1.37 1.47 0.45 7.33 3.76 -1.26 -4.44 115.29 121.23 1ni1 s HIS 327 Ca 0.00 -0.59 -0.18 0.00 -0.15 0.00 0.00 55.06 54.14 1ni1 s HIS 327 Cb 0.00 -0.74 -0.09 0.00 1.11 0.00 0.00 32.58 32.86 1ni1 s HIS 327 CO 0.00 0.19 0.93 -1.58 -0.85 0.00 0.00 174.74 173.43 1ni1 s TRP 328 N -2.55 3.39 0.00 1.40 0.23 -1.26 -4.79 118.94 115.36 1ni1 s TRP 328 Ca 0.14 1.46 0.00 0.00 -2.03 0.00 0.00 56.10 55.67 1ni1 s TRP 328 Cb -0.03 -2.76 0.00 0.00 0.03 0.00 0.00 33.47 30.72 1ni1 s TRP 328 CO 0.04 -0.20 0.45 -1.33 0.96 0.00 0.00 176.95 176.87 1ni1 n MET 329 N -1.06 0.26 -3.82 4.98 2.81 -1.26 -4.64 117.12 114.38 1ni1 n MET 329 Ca 0.06 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.86 1ni1 n MET 329 Cb 0.54 -1.37 -0.07 0.00 -0.71 0.00 0.00 33.22 31.61 1ni1 n MET 329 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 1ni1 s PHE 330 N 1.29 0.09 -0.92 2.03 -0.12 -1.26 -4.89 117.98 114.20 1ni1 s PHE 330 Ca 0.00 -0.49 -0.24 0.00 -0.05 0.00 0.00 56.93 56.15 1ni1 s PHE 330 Cb 0.00 -0.01 -0.02 0.00 -0.63 0.00 0.00 43.02 42.36 1ni1 s PHE 330 CO 0.00 -0.56 1.81 -1.58 -0.05 0.00 0.00 175.22 174.84 1ni1 s HIS 331 N -3.75 1.99 0.09 3.49 5.65 -1.26 -4.83 115.29 116.66 1ni1 s HIS 331 Ca 0.04 0.26 -0.24 0.00 0.25 0.00 0.00 55.06 55.37 1ni1 s HIS 331 Cb 0.04 -4.22 -0.15 0.00 -1.18 0.00 0.00 32.58 27.07 1ni1 s HIS 331 CO -0.11 -1.82 1.72 1.96 -0.65 0.00 0.00 174.74 175.85 1ni1 h GLN 332 N 11.04 -0.14 -0.10 2.88 4.20 -1.87 -2.29 115.11 128.83 1ni1 h GLN 332 Ca 0.10 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.84 1ni1 h GLN 332 Cb 1.01 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.80 1ni1 h GLN 332 CO 1.27 -0.09 -0.20 0.37 -0.67 0.00 0.00 178.83 179.50 1ni1 h GLN 333 N -0.14 -0.17 -0.91 1.46 4.15 -1.88 -0.93 115.11 116.69 1ni1 h GLN 333 Ca -0.01 0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.51 1ni1 h GLN 333 Cb 0.12 0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.77 1ni1 h GLN 333 CO 0.02 -0.11 0.56 0.00 -1.93 0.00 0.00 178.83 177.36 1ni1 h ALA 334 N -0.92 1.30 -0.53 3.38 0.00 -1.90 -0.37 119.26 120.22 1ni1 h ALA 334 Ca 0.02 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1ni1 h ALA 334 Cb 0.23 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1ni1 h ALA 334 CO -0.19 0.23 0.16 1.25 0.00 0.00 0.00 179.25 180.70 1ni1 h LEU 335 N 0.95 0.77 -1.05 0.00 5.85 -1.21 -1.78 115.31 118.84 1ni1 h LEU 335 Ca 0.42 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1ni1 h LEU 335 Cb 0.32 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1ni1 h LEU 335 CO -0.22 0.78 0.53 1.56 -0.34 0.00 0.00 178.44 180.74 1ni1 h GLN 336 N 0.73 1.18 0.62 1.25 4.20 -0.28 -1.83 115.11 120.97 1ni1 h GLN 336 Ca 0.17 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 1ni1 h GLN 336 Cb 0.28 -0.25 0.01 0.00 0.30 0.00 0.00 27.48 27.82 1ni1 h GLN 336 CO -0.01 0.82 -0.30 0.93 -0.67 0.00 0.00 178.83 179.61 1ni1 h GLU 337 N 1.20 -0.80 -0.99 1.46 5.08 -0.65 -2.52 114.58 117.36 1ni1 h GLU 337 Ca 0.31 0.05 0.16 0.00 -1.00 0.00 0.00 59.36 58.89 1ni1 h GLU 337 Cb -0.06 0.18 -0.16 0.00 0.50 0.00 0.00 28.75 29.21 1ni1 h GLU 337 CO -0.06 -0.53 -0.37 0.98 -1.00 0.00 0.00 179.01 178.03 1ni1 n TYR 338 N -4.40 0.07 -0.13 4.33 9.36 -0.71 0.34 117.16 126.01 1ni1 n TYR 338 Ca -0.10 1.22 -0.04 0.00 3.32 0.00 0.00 57.90 62.29 1ni1 n TYR 338 Cb 0.33 -0.89 0.04 0.00 -0.63 0.00 0.00 39.34 38.18 1ni1 n TYR 338 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 1ni1 h ILE 339 N 0.00 0.81 0.07 2.97 2.04 -1.33 0.18 117.51 122.24 1ni1 h ILE 339 Ca 0.36 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 66.13 1ni1 h ILE 339 Cb 0.61 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1ni1 h ILE 339 CO -0.99 0.05 -0.04 -0.07 0.00 0.00 0.00 178.15 177.11 1ni1 h LEU 340 N 0.26 -0.08 -0.10 1.44 3.38 0.05 -1.88 115.31 118.38 1ni1 h LEU 340 Ca 0.21 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1ni1 h LEU 340 Cb 0.24 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1ni1 h LEU 340 CO -0.25 0.36 -0.04 0.24 0.09 0.00 0.00 178.44 178.84 1ni1 h MET 341 N -0.55 0.21 0.00 1.13 2.86 -0.02 -3.39 114.93 115.17 1ni1 h MET 341 Ca -0.01 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1ni1 h MET 341 Cb 0.46 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.11 1ni1 h MET 341 CO 0.02 0.54 -0.11 0.00 1.06 0.00 0.00 176.91 178.43 1ni1 s GLN 344 N -0.39 3.78 0.04 0.00 0.74 -1.23 -0.47 119.66 122.13 1ni1 s GLN 344 Ca 0.00 -0.41 -0.27 0.00 0.05 0.00 0.00 55.36 54.73 1ni1 s GLN 344 Cb 0.00 -3.07 -0.05 0.00 1.10 0.00 0.00 33.01 30.99 1ni1 s GLN 344 CO 0.00 0.30 0.83 0.00 -0.55 0.00 0.00 175.29 175.87 1ni1 h PRO 346 N 5.97 0.00 0.00 0.00 0.13 -1.98 -0.91 132.00 135.21 1ni1 h PRO 346 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1ni1 h PRO 346 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1ni1 h PRO 346 CO 0.72 0.01 -0.58 0.00 -0.23 0.00 0.00 178.00 177.93 1ni1 n ALA 347 N -2.10 3.30 0.00 -0.56 0.00 -1.26 -5.01 120.51 114.89 1ni1 n ALA 347 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1ni1 n ALA 347 Cb 0.21 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1ni1 n ALA 347 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ni1 n GLY 348 N 1.43 3.58 0.00 0.00 0.00 -0.35 -4.77 105.19 105.09 1ni1 n GLY 348 Ca 0.04 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.25 1ni1 n GLY 348 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ni1 n GLY 349 N -1.26 -2.66 0.95 -0.02 0.00 -1.26 -4.31 105.19 96.63 1ni1 n GLY 349 Ca 0.00 -1.33 -0.06 0.00 0.00 0.00 0.00 46.02 44.63 1ni1 n GLY 349 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ni1 n LEU 350 N -1.53 0.00 -3.80 0.99 7.99 -1.26 0.16 117.00 119.54 1ni1 n LEU 350 Ca 0.00 -0.66 -0.04 0.00 -0.01 0.00 0.00 56.01 55.29 1ni1 n LEU 350 Cb 0.00 -0.05 -0.00 0.00 -0.11 0.00 0.00 43.42 43.25 1ni1 n LEU 350 CO 0.00 -0.44 0.68 -1.48 -1.51 0.00 0.00 177.39 174.65 1ni1 s LEU 351 N 0.00 -0.13 0.00 2.23 2.34 0.38 -4.02 118.68 119.47 1ni1 s LEU 351 Ca 0.11 -0.57 0.00 0.00 0.06 0.00 0.00 54.13 53.73 1ni1 s LEU 351 Cb -0.01 2.30 0.00 0.00 -0.56 0.00 0.00 46.19 47.92 1ni1 s LEU 351 CO 0.07 -1.07 0.00 -0.67 -1.06 0.00 0.00 176.35 173.62 1ni1 n ASP 352 N -0.73 0.00 -4.18 1.48 -0.08 -1.26 -4.10 116.55 107.68 1ni1 n ASP 352 Ca -0.05 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.03 1ni1 n ASP 352 Cb 0.60 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.97 1ni1 n ASP 352 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 1ni1 s LYS 353 N 0.00 1.62 0.35 -0.67 -2.85 -1.26 -1.23 119.74 115.70 1ni1 s LYS 353 Ca 0.00 -1.92 -0.28 0.00 -1.00 0.00 0.00 55.97 52.77 1ni1 s LYS 353 Cb 0.00 -0.37 -0.12 0.00 -2.06 0.00 0.00 37.83 35.28 1ni1 s LYS 353 CO 0.00 -0.37 1.34 -0.35 0.10 0.00 0.00 175.35 176.07 1ni1 n PRO 354 N -0.63 2.26 0.00 1.78 -0.04 -1.18 -2.52 135.00 134.67 1ni1 n PRO 354 Ca -0.01 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.24 1ni1 n PRO 354 Cb 0.66 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 1ni1 n PRO 354 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ni1 n GLY 355 N 0.69 2.84 2.78 0.55 0.00 -1.26 -5.05 105.19 105.74 1ni1 n GLY 355 Ca 0.04 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 1ni1 n GLY 355 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ni1 n LYS 356 N 0.00 -2.70 -4.09 1.61 4.76 -1.05 -5.06 118.16 111.63 1ni1 n LYS 356 Ca 0.00 -1.39 -0.23 0.00 -2.87 0.00 0.00 58.31 53.82 1ni1 n LYS 356 Cb 0.00 -1.30 -0.06 0.00 -1.84 0.00 0.00 35.03 31.83 1ni1 n LYS 356 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1ni1 s SER 357 N -3.85 4.82 0.33 4.39 1.04 -1.26 -4.98 113.70 114.18 1ni1 s SER 357 Ca 0.56 -0.67 -0.11 0.00 0.48 0.00 0.00 55.95 56.21 1ni1 s SER 357 Cb -0.06 -0.84 -0.07 0.00 0.10 0.00 0.00 66.02 65.16 1ni1 s SER 357 CO 0.43 -0.24 0.69 0.00 0.98 0.00 0.00 173.24 175.10 1ni1 s ARG 358 N -3.84 3.84 0.28 4.02 1.70 -1.26 -4.56 118.95 119.12 1ni1 s ARG 358 Ca 0.37 0.44 -0.21 0.00 -0.47 0.00 0.00 55.73 55.86 1ni1 s ARG 358 Cb -0.04 -2.48 0.02 0.00 -0.57 0.00 0.00 34.95 31.88 1ni1 s ARG 358 CO 0.23 0.12 0.71 0.16 -1.08 0.00 0.00 175.30 175.44 1ni1 s ASP 359 N -2.72 -0.25 0.29 -2.89 1.47 -1.26 -5.07 116.67 106.24 1ni1 s ASP 359 Ca 0.51 -0.62 0.18 0.00 1.18 0.00 0.00 52.55 53.79 1ni1 s ASP 359 Cb -0.10 0.72 0.10 0.00 -0.34 0.00 0.00 42.92 43.30 1ni1 s ASP 359 CO 0.25 -1.34 1.38 -0.26 0.68 0.00 0.00 175.17 175.88 1ni1 h PHE 360 N 2.01 0.00 0.79 2.11 -1.00 -1.98 -2.82 116.94 116.05 1ni1 h PHE 360 Ca -0.19 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.55 1ni1 h PHE 360 Cb 1.25 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.82 1ni1 h PHE 360 CO 0.43 0.36 -0.38 -0.92 -1.61 0.00 0.00 178.31 176.19 1ni1 h TYR 361 N 0.00 -0.98 -0.90 -0.55 3.20 -1.97 0.13 116.97 115.90 1ni1 h TYR 361 Ca -0.02 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.86 1ni1 h TYR 361 Cb 1.29 0.32 -0.05 0.00 1.54 0.00 0.00 36.73 39.83 1ni1 h TYR 361 CO 0.00 -0.61 0.59 0.45 -1.64 0.00 0.00 178.16 176.96 1ni1 h HIS 362 N -1.17 1.10 0.18 -3.82 3.86 -1.90 -1.26 115.15 112.15 1ni1 h HIS 362 Ca -0.11 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1ni1 h HIS 362 Cb 0.81 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.90 1ni1 h HIS 362 CO 0.02 0.65 -0.16 1.15 0.86 0.00 0.00 177.93 180.45 1ni1 h THR 363 N 1.15 0.65 -0.42 2.45 2.02 -1.41 0.46 112.91 117.81 1ni1 h THR 363 Ca 0.36 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.60 1ni1 h THR 363 Cb -0.00 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1ni1 h THR 363 CO -0.10 0.00 0.29 0.00 0.37 0.00 0.00 175.52 176.07 1ni1 n TYR 365 N -4.47 0.34 0.02 0.00 4.02 -0.56 -2.42 117.16 114.08 1ni1 n TYR 365 Ca 0.06 0.10 -0.19 0.00 -0.01 0.00 0.00 57.90 57.86 1ni1 n TYR 365 Cb 0.28 -0.54 -0.11 0.00 -0.02 0.00 0.00 39.34 38.95 1ni1 n TYR 365 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ni1 h LEU 367 N 0.09 0.66 -0.87 0.00 3.38 -1.38 -0.60 115.31 116.57 1ni1 h LEU 367 Ca -0.10 -0.42 0.09 0.00 0.09 0.00 0.00 57.88 57.54 1ni1 h LEU 367 Cb 1.46 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.96 1ni1 h LEU 367 CO 0.15 0.93 0.53 0.28 0.09 0.00 0.00 178.44 180.42 1ni1 h SER 368 N 0.38 0.79 -0.33 -0.43 0.02 -1.46 0.33 113.55 112.85 1ni1 h SER 368 Ca 0.06 0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.93 1ni1 h SER 368 Cb 0.69 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 1ni1 h SER 368 CO 0.05 0.47 -0.25 1.23 -1.14 0.00 0.00 176.83 177.18 1ni1 h GLY 369 N 0.90 0.81 0.08 -3.77 0.00 -0.86 -2.32 103.07 97.92 1ni1 h GLY 369 Ca 0.41 -0.79 0.01 0.00 0.00 0.00 0.00 47.33 46.96 1ni1 h GLY 369 CO -0.22 0.71 -0.34 -2.00 0.00 0.00 0.00 176.54 174.69 1ni1 h LEU 370 N 0.51 -1.03 -0.44 3.11 5.85 0.39 -0.88 115.31 122.82 1ni1 h LEU 370 Ca 0.06 0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.95 1ni1 h LEU 370 Cb 0.81 0.38 -0.09 0.00 0.37 0.00 0.00 40.66 42.13 1ni1 h LEU 370 CO 0.07 -0.36 -0.50 -1.28 -0.34 0.00 0.00 178.44 176.02 1ni1 h SER 371 N -0.49 -1.69 -1.05 1.25 0.87 -1.01 0.26 113.55 111.69 1ni1 h SER 371 Ca -0.00 0.24 0.29 0.00 -1.23 0.00 0.00 61.79 61.08 1ni1 h SER 371 Cb 0.49 0.72 -0.12 0.00 -0.44 0.00 0.00 62.40 63.05 1ni1 h SER 371 CO -0.18 -0.38 0.65 0.40 -0.53 0.00 0.00 176.83 176.78 1ni1 h ILE 372 N -0.35 0.45 0.00 2.23 1.08 -1.22 0.15 117.51 119.85 1ni1 h ILE 372 Ca 0.11 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.44 1ni1 h ILE 372 Cb 0.59 -0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.34 1ni1 h ILE 372 CO -0.61 0.08 0.00 0.00 -0.69 0.00 0.00 178.15 176.93 1ni1 n ALA 373 N -2.39 2.16 -0.17 1.87 0.00 0.89 -3.67 120.51 119.21 1ni1 n ALA 373 Ca 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1ni1 n ALA 373 Cb 0.91 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1ni1 n ALA 373 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ni1 n GLN 374 N -1.40 0.84 -4.06 0.00 10.64 0.49 -4.72 117.38 119.17 1ni1 n GLN 374 Ca 0.08 -0.88 -0.27 0.00 -1.83 0.00 0.00 57.00 54.10 1ni1 n GLN 374 Cb 0.24 -0.92 -0.17 0.00 -0.86 0.00 0.00 30.24 28.54 1ni1 n GLN 374 CO 0.00 0.00 0.00 -1.01 -1.83 0.00 0.00 177.06 174.22 1ni1 s HIS 375 N -0.42 1.65 0.17 2.61 3.76 -1.02 -1.55 115.29 120.51 1ni1 s HIS 375 Ca 0.00 -0.82 0.10 0.00 -0.15 0.00 0.00 55.06 54.19 1ni1 s HIS 375 Cb 0.00 -1.30 -0.04 0.00 1.11 0.00 0.00 32.58 32.35 1ni1 s HIS 375 CO 0.00 -0.51 -0.22 0.12 -0.85 0.00 0.00 174.74 173.28 1ni1 s PHE 376 N 1.46 2.08 0.24 1.40 5.36 0.07 -4.87 117.98 123.73 1ni1 s PHE 376 Ca 0.01 -0.40 -0.19 0.00 -0.96 0.00 0.00 56.93 55.39 1ni1 s PHE 376 Cb -0.13 -1.05 0.02 0.00 -0.34 0.00 0.00 43.02 41.53 1ni1 s PHE 376 CO -0.07 0.41 0.62 0.20 -1.46 0.00 0.00 175.22 174.92 1ni1 s GLY 377 N -2.58 -0.06 -0.03 13.12 0.00 -1.26 -2.36 107.32 114.15 1ni1 s GLY 377 Ca 0.17 -0.28 0.01 0.00 0.00 0.00 0.00 44.72 44.63 1ni1 s GLY 377 CO 0.08 -0.18 0.45 -1.26 0.00 0.00 0.00 173.10 172.19 1ni1 n SER 378 N -0.41 -0.28 0.00 1.64 2.88 -1.13 -4.87 113.62 111.45 1ni1 n SER 378 Ca -0.07 -0.82 0.00 0.00 -1.33 0.00 0.00 58.87 56.66 1ni1 n SER 378 Cb 0.61 0.11 0.00 0.00 -0.75 0.00 0.00 64.21 64.18 1ni1 n SER 378 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ni1 n GLY 379 N -0.16 1.35 0.06 0.46 0.00 -1.26 -4.19 105.19 101.45 1ni1 n GLY 379 Ca -0.06 -0.80 0.12 0.00 0.00 0.00 0.00 46.02 45.28 1ni1 n GLY 379 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ni1 n ALA 380 N -0.21 3.05 -1.77 4.61 0.00 -1.26 -4.87 120.51 120.07 1ni1 n ALA 380 Ca 0.00 -0.30 -0.39 0.00 0.00 0.00 0.00 53.44 52.75 1ni1 n ALA 380 Cb 0.00 -1.10 -0.00 0.00 0.00 0.00 0.00 19.45 18.35 1ni1 n ALA 380 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1ni1 s MET 381 N -3.19 3.85 -0.33 0.00 1.00 -1.26 -4.98 119.30 114.40 1ni1 s MET 381 Ca 0.05 2.06 -0.06 0.00 0.00 0.00 0.00 55.69 57.74 1ni1 s MET 381 Cb 0.13 -2.64 0.19 0.00 0.00 0.00 0.00 34.83 32.51 1ni1 s MET 381 CO 0.75 -0.56 0.95 -0.51 0.00 0.00 0.00 175.02 175.65 1ni1 s LEU 382 N -2.65 -0.64 -0.15 -0.03 1.02 -1.25 -2.82 118.68 112.16 1ni1 s LEU 382 Ca 0.60 -0.16 0.01 0.00 0.02 0.00 0.00 54.13 54.60 1ni1 s LEU 382 Cb -0.36 1.05 0.00 0.00 0.02 0.00 0.00 46.19 46.90 1ni1 s LEU 382 CO 0.45 -0.09 -0.18 -2.28 0.02 0.00 0.00 176.35 174.27 1ni1 s HIS 383 N 2.34 2.74 -0.03 0.29 2.46 -0.99 -4.94 115.29 117.16 1ni1 s HIS 383 Ca 0.19 -1.18 0.03 0.00 0.47 0.00 0.00 55.06 54.56 1ni1 s HIS 383 Cb -0.01 -1.86 -0.03 0.00 -0.13 0.00 0.00 32.58 30.55 1ni1 s HIS 383 CO -0.17 -0.54 -0.09 -0.51 -2.47 0.00 0.00 174.74 170.96 1ni1 s ASP 384 N 0.83 4.49 -0.47 9.88 -0.00 -1.26 -0.75 116.67 129.39 1ni1 s ASP 384 Ca -0.06 -0.13 0.07 0.00 -0.00 0.00 0.00 52.55 52.44 1ni1 s ASP 384 Cb -0.15 -1.05 0.25 0.00 -0.00 0.00 0.00 42.92 41.97 1ni1 s ASP 384 CO -0.01 0.32 0.60 0.52 -0.00 0.00 0.00 175.17 176.60 1ni1 n VAL 385 N 1.89 0.36 -2.44 -1.27 0.31 -0.59 -5.00 118.33 111.59 1ni1 n VAL 385 Ca -0.17 -4.44 -0.42 0.00 -0.01 0.00 0.00 64.34 59.31 1ni1 n VAL 385 Cb 0.53 -1.96 -0.03 0.00 -0.91 0.00 0.00 33.84 31.47 1ni1 n VAL 385 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1ni1 s VAL 386 N -1.67 4.11 0.05 2.52 1.01 -1.26 -4.62 120.40 120.54 1ni1 s VAL 386 Ca 0.37 1.51 -0.03 0.00 0.00 0.00 0.00 61.98 63.82 1ni1 s VAL 386 Cb 0.17 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 1ni1 s VAL 386 CO -0.08 0.10 0.25 -0.04 0.00 0.00 0.00 175.10 175.34 1ni1 s MET 387 N 1.24 3.51 4.22 2.72 -1.94 -1.26 -4.95 119.30 122.85 1ni1 s MET 387 Ca 0.58 -0.25 0.00 0.00 -1.71 0.00 0.00 55.69 54.31 1ni1 s MET 387 Cb -0.28 -3.02 0.00 0.00 2.01 0.00 0.00 34.83 33.54 1ni1 s MET 387 CO 0.28 0.60 0.00 0.41 -0.01 0.00 0.00 175.02 176.30 1ni1 n GLY 388 N 0.58 0.99 3.66 -0.03 0.00 -1.26 -4.78 105.19 104.35 1ni1 n GLY 388 Ca -0.07 -0.75 -0.44 0.00 0.00 0.00 0.00 46.02 44.76 1ni1 n GLY 388 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ni1 n VAL 389 N 0.00 1.49 1.14 1.61 0.31 -0.76 -4.85 118.33 117.27 1ni1 n VAL 389 Ca 0.00 -0.37 0.10 0.00 -0.01 0.00 0.00 64.34 64.06 1ni1 n VAL 389 Cb 0.00 -1.40 0.57 0.00 -0.91 0.00 0.00 33.84 32.10 1ni1 n VAL 389 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1ni1 n PRO 390 N 1.27 0.46 0.00 5.55 -0.04 -1.26 -1.84 135.00 139.14 1ni1 n PRO 390 Ca 0.09 0.05 0.14 0.00 -0.04 0.00 0.00 63.50 63.74 1ni1 n PRO 390 Cb 0.33 -1.50 0.53 0.00 -0.04 0.00 0.00 33.50 32.82 1ni1 n PRO 390 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ni1 n GLU 391 N -1.17 0.32 -0.03 0.54 4.71 -1.26 -3.26 120.64 120.50 1ni1 n GLU 391 Ca 0.13 -0.10 0.10 0.00 -0.01 0.00 0.00 57.16 57.27 1ni1 n GLU 391 Cb 0.13 -1.50 0.49 0.00 -1.01 0.00 0.00 31.44 29.55 1ni1 n GLU 391 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1ni1 n ASN 392 N -1.25 0.67 -4.70 1.62 5.03 -0.76 -4.81 115.26 111.05 1ni1 n ASN 392 Ca 0.10 -1.52 -0.42 0.00 0.87 0.00 0.00 54.58 53.61 1ni1 n ASN 392 Cb 0.31 -0.04 -0.03 0.00 -1.02 0.00 0.00 39.78 39.00 1ni1 n ASN 392 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1ni1 s VAL 393 N -1.92 4.69 0.46 2.41 0.11 -1.20 -4.97 120.40 119.98 1ni1 s VAL 393 Ca 0.30 1.95 0.07 0.00 -2.93 0.00 0.00 61.98 61.38 1ni1 s VAL 393 Cb 0.15 -4.25 0.00 0.00 -1.53 0.00 0.00 36.38 30.75 1ni1 s VAL 393 CO 0.24 0.06 0.40 -0.76 -3.33 0.00 0.00 175.10 171.71 1ni1 s LEU 394 N 1.66 3.16 0.66 2.54 1.43 -1.26 -5.03 118.68 121.83 1ni1 s LEU 394 Ca 0.51 -0.92 -0.17 0.00 -1.03 0.00 0.00 54.13 52.52 1ni1 s LEU 394 Cb -0.21 -1.73 -0.00 0.00 0.03 0.00 0.00 46.19 44.28 1ni1 s LEU 394 CO 0.22 -0.82 1.21 -1.10 0.23 0.00 0.00 176.35 176.09 1ni1 s GLN 395 N -4.19 2.58 0.48 1.70 -1.52 -0.60 -4.99 119.66 113.13 1ni1 s GLN 395 Ca 0.45 1.78 -0.20 0.00 -1.95 0.00 0.00 55.36 55.44 1ni1 s GLN 395 Cb -0.02 -1.88 -0.09 0.00 -0.22 0.00 0.00 33.01 30.79 1ni1 s GLN 395 CO 0.26 -1.50 1.02 -2.14 -0.25 0.00 0.00 175.29 172.68 1ni1 s PRO 396 N -3.64 3.88 0.02 2.91 0.02 -1.26 -4.88 135.00 132.05 1ni1 s PRO 396 Ca 0.76 1.28 0.06 0.00 0.02 0.00 0.00 61.00 63.12 1ni1 s PRO 396 Cb -0.30 -2.11 -0.02 0.00 0.02 0.00 0.00 34.50 32.09 1ni1 s PRO 396 CO 0.39 -0.36 -0.18 -0.08 -0.33 0.00 0.00 177.00 176.45 1ni1 s THR 397 N -2.07 1.44 0.07 0.99 -1.32 -1.26 -4.23 115.64 109.25 1ni1 s THR 397 Ca 0.66 -0.98 -0.30 0.00 -1.21 0.00 0.00 61.69 59.86 1ni1 s THR 397 Cb -0.14 -1.24 -0.05 0.00 -1.51 0.00 0.00 72.50 69.56 1ni1 s THR 397 CO 0.20 0.24 1.07 -2.28 -2.21 0.00 0.00 174.62 171.63 1ni1 s HIS 398 N -0.66 3.60 0.52 9.09 2.46 -0.58 -4.78 115.29 124.94 1ni1 s HIS 398 Ca 0.06 1.56 0.21 0.00 0.47 0.00 0.00 55.06 57.36 1ni1 s HIS 398 Cb -0.08 -3.24 1.40 0.00 -0.13 0.00 0.00 32.58 30.54 1ni1 s HIS 398 CO 0.01 -0.51 2.15 -1.35 -2.47 0.00 0.00 174.74 172.57 1ni1 h PRO 399 N 6.29 0.00 0.00 2.88 0.11 -1.93 0.41 132.00 139.76 1ni1 h PRO 399 Ca -0.42 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.55 1ni1 h PRO 399 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1ni1 h PRO 399 CO 0.76 0.04 -1.05 0.28 -0.21 0.00 0.00 178.00 177.82 1ni1 n VAL 400 N -4.24 1.48 0.65 3.15 0.31 -1.26 -4.51 118.33 113.91 1ni1 n VAL 400 Ca -0.03 0.06 0.12 0.00 -0.01 0.00 0.00 64.34 64.48 1ni1 n VAL 400 Cb 0.12 -2.20 0.25 0.00 -0.91 0.00 0.00 33.84 31.10 1ni1 n VAL 400 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1ni1 n TYR 401 N -4.49 0.55 -3.56 3.52 4.02 -1.25 -4.96 117.16 110.99 1ni1 n TYR 401 Ca -0.22 0.16 -0.22 0.00 -0.01 0.00 0.00 57.90 57.61 1ni1 n TYR 401 Cb 0.52 -0.67 0.08 0.00 -0.02 0.00 0.00 39.34 39.25 1ni1 n TYR 401 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1ni1 n ASN 402 N -2.05 -4.38 -3.81 7.72 5.15 0.14 -4.99 115.26 113.04 1ni1 n ASN 402 Ca 0.04 -0.60 -0.12 0.00 -0.60 0.00 0.00 54.58 53.31 1ni1 n ASN 402 Cb 0.42 -4.96 -0.09 0.00 -0.53 0.00 0.00 39.78 34.62 1ni1 n ASN 402 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1ni1 s ILE 403 N -3.35 0.08 -0.01 -1.44 -4.36 -1.25 -4.80 121.20 106.07 1ni1 s ILE 403 Ca 0.34 -0.68 -0.27 0.00 -0.26 0.00 0.00 60.65 59.78 1ni1 s ILE 403 Cb -0.15 -0.71 -0.13 0.00 1.25 0.00 0.00 42.46 42.72 1ni1 s ILE 403 CO 0.74 -0.37 0.72 0.61 0.24 0.00 0.00 174.94 176.88 1ni1 n GLY 404 N 1.04 -0.17 0.32 6.27 0.00 -1.26 -1.53 105.19 109.86 1ni1 n GLY 404 Ca -0.21 0.51 0.17 0.00 0.00 0.00 0.00 46.02 46.49 1ni1 n GLY 404 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ni1 h PRO 405 N 2.04 0.00 0.08 1.61 0.11 -1.87 -1.37 132.00 132.61 1ni1 h PRO 405 Ca -0.34 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.56 1ni1 h PRO 405 Cb 0.95 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 1ni1 h PRO 405 CO 0.44 0.00 -1.07 0.38 -0.21 0.00 0.00 178.00 177.54 1ni1 h ASP 406 N 0.00 0.28 -0.61 -2.05 2.03 -1.93 -3.08 116.42 111.06 1ni1 h ASP 406 Ca 0.00 -0.84 0.13 0.00 -0.73 0.00 0.00 57.03 55.59 1ni1 h ASP 406 Cb 0.44 -0.09 -0.03 0.00 -0.83 0.00 0.00 39.33 38.82 1ni1 h ASP 406 CO 0.00 1.46 0.42 0.11 -1.03 0.00 0.00 179.24 180.20 1ni1 h LYS 407 N -0.53 0.23 0.00 4.15 1.79 -1.56 0.45 116.57 121.10 1ni1 h LYS 407 Ca -0.24 -0.01 -0.09 0.00 -2.18 0.00 0.00 60.65 58.13 1ni1 h LYS 407 Cb 1.55 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 32.14 1ni1 h LYS 407 CO 0.02 0.15 -0.45 -0.39 -1.08 0.00 0.00 179.45 177.71 1ni1 h VAL 408 N 0.24 0.81 0.06 0.50 -1.51 -1.55 0.59 116.25 115.39 1ni1 h VAL 408 Ca 0.29 -2.00 -0.00 0.00 -1.23 0.00 0.00 66.70 63.76 1ni1 h VAL 408 Cb 0.82 2.30 0.00 0.00 -2.13 0.00 0.00 31.29 32.28 1ni1 h VAL 408 CO -0.06 0.44 -0.03 0.40 -1.23 0.00 0.00 177.57 177.09 1ni1 h ILE 409 N 0.00 1.18 -0.06 7.19 5.03 -0.51 -2.69 117.51 127.66 1ni1 h ILE 409 Ca -0.00 -1.58 0.04 0.00 -0.12 0.00 0.00 64.86 63.19 1ni1 h ILE 409 Cb 1.26 2.11 -0.05 0.00 -3.03 0.00 0.00 36.82 37.10 1ni1 h ILE 409 CO 0.06 0.35 -0.29 1.56 -0.68 0.00 0.00 178.15 179.15 1ni1 h GLN 410 N -0.88 -0.39 0.00 2.37 4.20 -0.31 -2.45 115.11 117.65 1ni1 h GLN 410 Ca -0.01 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1ni1 h GLN 410 Cb 0.64 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1ni1 h GLN 410 CO 0.01 -0.26 0.00 0.00 -0.67 0.00 0.00 178.83 177.91 1ni1 n ALA 411 N -2.76 0.00 -0.73 3.87 0.00 0.20 -1.32 120.51 119.76 1ni1 n ALA 411 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1ni1 n ALA 411 Cb 0.31 0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1ni1 n ALA 411 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ni1 n THR 412 N -0.93 0.00 -0.17 0.00 -2.24 -1.02 -1.80 114.28 108.12 1ni1 n THR 412 Ca 0.00 1.13 0.16 0.00 -2.27 0.00 0.00 64.05 63.08 1ni1 n THR 412 Cb 0.00 -1.80 0.30 0.00 -2.10 0.00 0.00 70.33 66.73 1ni1 n THR 412 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ni1 n THR 413 N -1.32 -0.22 0.00 4.28 -2.24 -0.93 0.10 114.28 113.96 1ni1 n THR 413 Ca 0.00 1.07 0.00 0.00 -2.27 0.00 0.00 64.05 62.85 1ni1 n THR 413 Cb 0.00 -1.73 0.00 0.00 -2.10 0.00 0.00 70.33 66.50 1ni1 n THR 413 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1ni1 n HIS 414 N -4.21 0.00 -0.70 4.78 -0.00 -0.44 -2.44 115.22 112.22 1ni1 n HIS 414 Ca 0.20 0.00 0.53 0.00 -0.00 0.00 0.00 57.72 58.44 1ni1 n HIS 414 Cb 0.67 0.00 0.81 0.00 -0.00 0.00 0.00 29.99 31.47 1ni1 n HIS 414 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1ni1 n PHE 415 N -0.34 0.06 -0.27 1.57 3.01 -0.36 0.36 117.46 121.49 1ni1 n PHE 415 Ca 0.00 0.06 -0.03 0.00 1.01 0.00 0.00 57.45 58.49 1ni1 n PHE 415 Cb 0.00 -0.55 0.08 0.00 -0.01 0.00 0.00 39.48 39.00 1ni1 n PHE 415 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1ni1 h LEU 416 N 0.00 0.78 0.00 4.37 5.85 0.64 0.75 115.31 127.70 1ni1 h LEU 416 Ca 0.94 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.66 1ni1 h LEU 416 Cb 3.72 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 44.58 1ni1 h LEU 416 CO -0.05 0.54 0.00 0.00 -0.34 0.00 0.00 178.44 178.59 1ni1 n GLN 417 N -4.63 0.05 -4.02 1.25 10.64 1.11 -4.59 117.38 117.18 1ni1 n GLN 417 Ca 0.08 0.11 -0.25 0.00 -1.83 0.00 0.00 57.00 55.11 1ni1 n GLN 417 Cb 0.08 -1.50 -0.05 0.00 -0.86 0.00 0.00 30.24 27.91 1ni1 n GLN 417 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 1ni1 s LYS 418 N -2.24 2.28 0.42 2.61 1.02 0.26 -5.12 119.74 118.96 1ni1 s LYS 418 Ca 0.03 -1.89 -0.02 0.00 0.02 0.00 0.00 55.97 54.10 1ni1 s LYS 418 Cb 0.01 -2.04 -0.03 0.00 -0.52 0.00 0.00 37.83 35.25 1ni1 s LYS 418 CO 0.03 -0.29 0.68 -1.25 -0.92 0.00 0.00 175.35 173.59 1ni1 s PRO 419 N -4.05 3.47 -0.63 -1.68 0.04 -1.26 -5.01 135.00 125.89 1ni1 s PRO 419 Ca 0.37 -0.08 -0.25 0.00 0.04 0.00 0.00 61.00 61.09 1ni1 s PRO 419 Cb 0.01 -2.51 0.05 0.00 0.04 0.00 0.00 34.50 32.09 1ni1 s PRO 419 CO 0.21 -0.07 1.05 0.08 0.04 0.00 0.00 177.00 178.31 1ni1 s VAL 420 N -2.55 4.18 0.00 -0.36 1.01 -1.26 -4.86 120.40 116.57 1ni1 s VAL 420 Ca 0.44 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.57 1ni1 s VAL 420 Cb -0.10 -4.69 0.00 0.00 0.00 0.00 0.00 36.38 31.59 1ni1 s VAL 420 CO 0.41 -1.42 0.15 -2.65 0.00 0.00 0.00 175.10 171.59 1ni1 n PRO 421 N 8.06 0.00 -2.60 2.72 -0.01 -1.26 -4.77 135.00 137.13 1ni1 n PRO 421 Ca 0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 63.50 63.07 1ni1 n PRO 421 Cb 0.47 -0.69 -0.03 0.00 -0.01 0.00 0.00 33.50 33.25 1ni1 n PRO 421 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 175.50 175.69 1ni1 s GLY 422 N 1.30 1.17 0.00 -1.23 0.00 -1.26 -5.04 107.32 102.26 1ni1 s GLY 422 Ca 0.00 -0.82 0.14 0.00 0.00 0.00 0.00 44.72 44.04 1ni1 s GLY 422 CO 0.00 2.46 0.94 1.97 0.00 0.00 0.00 173.10 178.47