#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx3 h THR 58 N 0.00 1.09 0.07 2.62 1.35 -2.05 -2.24 112.91 113.75 3hx3 h THR 58 Ca 0.00 -0.38 -0.00 0.00 -0.55 0.00 0.00 66.41 65.48 3hx3 h THR 58 Cb 0.00 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.48 3hx3 h THR 58 CO 0.00 0.12 -0.03 0.03 -0.25 0.00 0.00 175.52 175.39 3hx3 h ARG 59 N 0.14 -0.09 -0.65 4.72 3.08 -2.04 -0.41 114.38 119.14 3hx3 h ARG 59 Ca 0.03 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 3hx3 h ARG 59 Cb 0.16 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 3hx3 h ARG 59 CO 0.01 0.24 0.26 0.93 -1.07 0.00 0.00 179.97 180.34 3hx3 h GLU 60 N -0.42 0.95 -0.60 0.04 3.07 -1.96 -1.68 114.58 113.98 3hx3 h GLU 60 Ca -0.01 -0.16 -0.07 0.00 -0.50 0.00 0.00 59.36 58.63 3hx3 h GLU 60 Cb 0.37 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.09 3hx3 h GLU 60 CO 0.02 0.78 0.11 1.49 -1.40 0.00 0.00 179.01 180.00 3hx3 h GLU 61 N 0.93 0.98 -0.56 2.33 4.81 -1.33 -2.02 114.58 119.72 3hx3 h GLU 61 Ca 0.22 -0.25 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 3hx3 h GLU 61 Cb 0.18 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3hx3 h GLU 61 CO -0.02 0.91 0.01 0.00 -0.73 0.00 0.00 179.01 179.18 3hx3 h ALA 62 N 1.02 0.75 -0.43 2.92 0.00 -0.61 -0.77 119.26 122.15 3hx3 h ALA 62 Ca 0.18 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3hx3 h ALA 62 Cb 0.40 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3hx3 h ALA 62 CO 0.01 0.57 0.18 0.28 0.00 0.00 0.00 179.25 180.29 3hx3 h VAL 63 N 0.87 1.20 -0.72 0.00 2.07 -1.26 -0.68 116.25 117.71 3hx3 h VAL 63 Ca 0.16 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 3hx3 h VAL 63 Cb 0.53 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 3hx3 h VAL 63 CO 0.03 0.22 0.42 -0.09 0.02 0.00 0.00 177.57 178.17 3hx3 h ARG 64 N 0.55 0.99 -0.57 1.57 2.43 -1.14 -0.61 114.38 117.59 3hx3 h ARG 64 Ca 0.14 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 3hx3 h ARG 64 Cb 0.18 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 3hx3 h ARG 64 CO -0.01 0.72 0.07 0.93 -1.51 0.00 0.00 179.97 180.17 3hx3 h GLU 65 N 0.99 0.96 -0.42 0.20 5.08 -0.92 -0.25 114.58 120.22 3hx3 h GLU 65 Ca 0.26 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3hx3 h GLU 65 Cb -0.01 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3hx3 h GLU 65 CO -0.05 0.93 0.22 1.25 -1.00 0.00 0.00 179.01 180.36 3hx3 h LEU 66 N 0.85 0.53 -0.61 1.33 5.85 -0.82 -2.84 115.31 119.60 3hx3 h LEU 66 Ca 0.17 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.80 3hx3 h LEU 66 Cb 0.45 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 3hx3 h LEU 66 CO 0.02 0.48 0.40 1.56 -0.34 0.00 0.00 178.44 180.56 3hx3 h GLN 67 N 0.54 0.78 -1.17 1.25 4.20 -0.88 0.12 115.11 119.94 3hx3 h GLN 67 Ca 0.14 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3hx3 h GLN 67 Cb 0.08 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.68 3hx3 h GLN 67 CO -0.02 0.52 0.00 0.39 -0.67 0.00 0.00 178.83 179.05 3hx3 n GLU 68 N -4.68 0.10 0.00 1.46 1.02 -0.13 -1.71 120.64 116.71 3hx3 n GLU 68 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3hx3 n GLU 68 Cb 0.04 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 3hx3 n GLU 68 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3hx3 n VAL 70 N 0.75 0.00 -0.07 2.62 0.31 0.03 -0.20 118.33 121.76 3hx3 n VAL 70 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 3hx3 n VAL 70 Cb 0.04 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.91 3hx3 n VAL 70 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 3hx3 h GLN 71 N 0.00 0.55 -0.60 5.55 1.08 -1.60 -2.58 115.11 117.51 3hx3 h GLN 71 Ca 0.00 -0.31 0.00 0.00 -1.45 0.00 0.00 58.65 56.89 3hx3 h GLN 71 Cb 0.00 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.42 3hx3 h GLN 71 CO 0.00 0.90 0.39 0.00 -0.95 0.00 0.00 178.83 179.17 3hx3 h ALA 72 N 0.64 0.76 -0.29 3.87 0.00 -0.85 -1.84 119.26 121.54 3hx3 h ALA 72 Ca 0.03 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 3hx3 h ALA 72 Cb 0.83 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3hx3 h ALA 72 CO 0.06 0.21 -0.31 1.96 0.00 0.00 0.00 179.25 181.16 3hx3 h GLN 73 N 0.81 0.61 0.00 0.00 1.08 -1.80 -2.53 115.11 113.28 3hx3 h GLN 73 Ca 0.22 -0.27 -0.05 0.00 -1.45 0.00 0.00 58.65 57.10 3hx3 h GLN 73 Cb -0.07 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 3hx3 h GLN 73 CO -0.05 0.85 -0.23 0.00 -0.95 0.00 0.00 178.83 178.45 3hx3 h ALA 74 N 1.13 1.34 -0.02 3.87 0.00 -1.03 -2.54 119.26 122.02 3hx3 h ALA 74 Ca 0.06 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.77 3hx3 h ALA 74 Cb 0.80 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 3hx3 h ALA 74 CO 0.07 0.29 0.02 0.00 0.00 0.00 0.00 179.25 179.63 3hx3 h ALA 75 N 1.77 1.77 0.00 0.00 0.00 -0.89 0.20 119.26 122.11 3hx3 h ALA 75 Ca -0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3hx3 h ALA 75 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3hx3 h ALA 75 CO 0.03 -0.03 -0.17 0.66 0.00 0.00 0.00 179.25 179.74 3hx3 h SER 76 N 0.00 0.00 0.00 0.00 4.64 -1.55 -3.46 113.55 113.18 3hx3 h SER 76 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3hx3 h SER 76 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3hx3 h SER 76 CO -0.00 0.17 0.00 0.61 -0.87 0.00 0.00 176.83 176.74 3hx3 n GLY 77 N -0.28 0.86 3.69 -0.77 0.00 0.06 -5.02 105.19 103.73 3hx3 n GLY 77 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 3hx3 n GLY 77 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hx3 n GLU 78 N -2.00 2.25 -0.08 1.61 0.00 -1.26 -4.79 120.64 116.37 3hx3 n GLU 78 Ca 0.00 0.80 -0.07 0.00 0.00 0.00 0.00 57.16 57.90 3hx3 n GLU 78 Cb 0.00 -2.52 -0.00 0.00 0.00 0.00 0.00 31.44 28.91 3hx3 n GLU 78 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 3hx3 h GLU 79 N 4.83 -0.15 -0.32 5.31 4.81 -1.97 -0.49 114.58 126.60 3hx3 h GLU 79 Ca -0.45 0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 58.61 3hx3 h GLU 79 Cb 1.26 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.67 3hx3 h GLU 79 CO 0.80 -0.10 -0.48 1.25 -0.73 0.00 0.00 179.01 179.76 3hx3 h LEU 80 N -0.15 0.96 -0.72 1.64 5.85 -1.99 -1.86 115.31 119.04 3hx3 h LEU 80 Ca 0.17 -0.48 0.04 0.00 0.84 0.00 0.00 57.88 58.44 3hx3 h LEU 80 Cb 0.41 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 3hx3 h LEU 80 CO -0.42 1.28 0.44 0.00 -0.34 0.00 0.00 178.44 179.40 3hx3 h ALA 81 N 0.75 0.96 -0.71 1.25 0.00 -1.75 0.12 119.26 119.89 3hx3 h ALA 81 Ca 0.03 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3hx3 h ALA 81 Cb 1.08 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 3hx3 h ALA 81 CO 0.11 0.19 0.25 0.28 0.00 0.00 0.00 179.25 180.08 3hx3 h VAL 82 N 0.84 1.25 -0.53 0.00 2.07 -0.98 -2.65 116.25 116.25 3hx3 h VAL 82 Ca 0.30 -0.83 -0.10 0.00 0.82 0.00 0.00 66.70 66.89 3hx3 h VAL 82 Cb 0.08 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 3hx3 h VAL 82 CO -0.14 0.33 -0.05 0.00 0.02 0.00 0.00 177.57 177.74 3hx3 h ALA 83 N 1.12 0.91 -0.27 1.67 0.00 -0.39 -2.26 119.26 120.04 3hx3 h ALA 83 Ca 0.23 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hx3 h ALA 83 Cb 0.26 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3hx3 h ALA 83 CO -0.01 0.64 0.18 0.28 0.00 0.00 0.00 179.25 180.33 3hx3 h VAL 84 N 0.86 1.06 -0.36 0.00 2.07 -0.67 0.98 116.25 120.20 3hx3 h VAL 84 Ca 0.15 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.57 3hx3 h VAL 84 Cb 0.57 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 3hx3 h VAL 84 CO 0.03 0.07 0.19 0.00 0.02 0.00 0.00 177.57 177.88 3hx3 h ALA 85 N 1.10 0.45 -0.74 1.67 0.00 -1.28 -1.72 119.26 118.73 3hx3 h ALA 85 Ca 0.10 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3hx3 h ALA 85 Cb -0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3hx3 h ALA 85 CO -0.03 -0.17 0.37 1.49 0.00 0.00 0.00 179.25 180.92 3hx3 h GLU 86 N 0.39 1.06 -0.00 0.00 4.81 -1.11 -3.15 114.58 116.58 3hx3 h GLU 86 Ca 0.15 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3hx3 h GLU 86 Cb 0.05 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.23 3hx3 h GLU 86 CO -0.09 0.82 -0.12 0.54 -0.73 0.00 0.00 179.01 179.42 3hx3 n ARG 87 N -4.42 0.13 -0.03 1.92 5.12 0.31 -3.50 116.66 116.20 3hx3 n ARG 87 Ca 0.06 -0.03 0.01 0.00 -1.93 0.00 0.00 57.85 55.97 3hx3 n ARG 87 Cb 0.12 -1.50 0.03 0.00 -1.16 0.00 0.00 32.46 29.95 3hx3 n ARG 87 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 3hx3 n VAL 88 N -1.41 1.03 0.28 1.55 0.24 -0.72 -4.76 118.33 114.55 3hx3 n VAL 88 Ca 0.08 -1.03 0.16 0.00 -2.04 0.00 0.00 64.34 61.51 3hx3 n VAL 88 Cb 0.32 0.48 0.82 0.00 -1.47 0.00 0.00 33.84 33.99 3hx3 n VAL 88 CO 0.00 0.00 0.00 0.06 -2.14 0.00 0.00 176.83 174.75 3hx3 h GLN 89 N 0.30 0.00 -0.01 7.34 3.07 -1.58 -2.19 115.11 122.04 3hx3 h GLN 89 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3hx3 h GLN 89 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.11 3hx3 h GLN 89 CO 0.00 0.07 -0.61 0.39 0.09 0.00 0.00 178.83 178.77 3hx3 n GLU 90 N -3.41 0.45 -2.35 0.06 1.02 -1.26 -4.99 120.64 110.17 3hx3 n GLU 90 Ca -0.02 -0.34 -0.38 0.00 -0.02 0.00 0.00 57.16 56.41 3hx3 n GLU 90 Cb 0.22 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.12 3hx3 n GLU 90 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3hx3 s LYS 91 N -2.78 4.02 0.72 3.49 -0.14 -0.83 -5.05 119.74 119.19 3hx3 s LYS 91 Ca 0.14 1.75 -0.04 0.00 -1.36 0.00 0.00 55.97 56.46 3hx3 s LYS 91 Cb 0.17 -2.59 0.11 0.00 -1.68 0.00 0.00 37.83 33.84 3hx3 s LYS 91 CO 0.69 -0.32 1.01 0.16 -0.76 0.00 0.00 175.35 176.13 3hx3 s ASP 92 N -1.28 4.42 0.40 2.83 1.47 -1.26 -4.96 116.67 118.28 3hx3 s ASP 92 Ca 0.58 -0.05 0.07 0.00 1.18 0.00 0.00 52.55 54.33 3hx3 s ASP 92 Cb -0.28 -0.42 0.82 0.00 -0.34 0.00 0.00 42.92 42.70 3hx3 s ASP 92 CO 0.35 -1.82 2.03 0.28 0.68 0.00 0.00 175.17 176.70 3hx3 h SER 93 N -0.61 0.47 -1.01 2.11 0.02 -2.00 -1.83 113.55 110.70 3hx3 h SER 93 Ca -0.40 -0.02 0.08 0.00 -0.84 0.00 0.00 61.79 60.60 3hx3 h SER 93 Cb 1.28 -0.12 -0.07 0.00 0.14 0.00 0.00 62.40 63.63 3hx3 h SER 93 CO 0.46 0.37 0.65 1.23 -1.14 0.00 0.00 176.83 178.40 3hx3 h GLY 94 N 0.60 1.56 0.94 -3.77 0.00 -1.99 -0.71 103.07 99.69 3hx3 h GLY 94 Ca 0.14 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 3hx3 h GLY 94 CO -0.03 0.30 0.13 -2.75 0.00 0.00 0.00 176.54 174.20 3hx3 h PHE 95 N 1.15 0.38 -0.51 5.60 3.57 -1.70 -2.79 116.94 122.62 3hx3 h PHE 95 Ca 0.45 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.86 3hx3 h PHE 95 Cb 0.23 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 3hx3 h PHE 95 CO -0.00 0.34 0.03 0.74 -2.23 0.00 0.00 178.31 177.19 3hx3 h PHE 96 N 0.30 0.88 -0.10 0.41 0.04 -1.33 -2.70 116.94 114.44 3hx3 h PHE 96 Ca 0.09 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.75 3hx3 h PHE 96 Cb 0.10 -0.24 -0.00 0.00 2.20 0.00 0.00 35.95 38.00 3hx3 h PHE 96 CO -0.02 0.79 0.06 -0.07 -0.60 0.00 0.00 178.31 178.47 3hx3 h LEU 97 N 0.78 0.11 -0.37 1.54 3.38 -0.90 -1.78 115.31 118.07 3hx3 h LEU 97 Ca 0.16 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.19 3hx3 h LEU 97 Cb 0.42 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 3hx3 h LEU 97 CO 0.02 0.08 0.02 0.03 0.09 0.00 0.00 178.44 178.67 3hx3 h ARG 98 N 0.13 0.12 -0.20 1.13 3.08 -1.24 0.27 114.38 117.68 3hx3 h ARG 98 Ca 0.04 -0.01 -0.20 0.00 0.07 0.00 0.00 59.98 59.88 3hx3 h ARG 98 Cb -0.01 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.02 3hx3 h ARG 98 CO -0.01 0.08 -0.65 0.74 -1.07 0.00 0.00 179.97 179.06 3hx3 h PHE 99 N 0.13 1.03 -0.25 3.04 0.04 -1.52 -1.69 116.94 117.71 3hx3 h PHE 99 Ca 0.18 -0.42 -0.00 0.00 2.80 0.00 0.00 57.97 60.52 3hx3 h PHE 99 Cb 0.24 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 3hx3 h PHE 99 CO -0.24 1.25 0.14 0.82 -0.60 0.00 0.00 178.31 179.68 3hx3 h ILE 100 N 0.52 1.12 -0.30 -0.55 2.04 -1.01 -2.58 117.51 116.75 3hx3 h ILE 100 Ca -0.03 -0.31 -0.15 0.00 1.00 0.00 0.00 64.86 65.38 3hx3 h ILE 100 Cb 1.27 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 3hx3 h ILE 100 CO 0.14 0.12 -0.41 0.03 0.00 0.00 0.00 178.15 178.02 3hx3 h ARG 101 N 0.30 0.74 0.00 2.37 3.08 -0.51 0.43 114.38 120.80 3hx3 h ARG 101 Ca 0.09 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.75 3hx3 h ARG 101 Cb 0.06 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3hx3 h ARG 101 CO -0.01 1.01 0.00 0.00 -1.07 0.00 0.00 179.97 179.90 3hx3 h ALA 102 N 0.93 1.00 -0.07 0.04 0.00 -1.16 -2.07 119.26 117.93 3hx3 h ALA 102 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3hx3 h ALA 102 Cb 0.96 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3hx3 h ALA 102 CO 0.09 0.00 -0.30 0.54 0.00 0.00 0.00 179.25 179.58 3hx3 n ARG 103 N -2.88 1.62 -3.93 0.00 5.12 -0.92 -4.99 116.66 110.69 3hx3 n ARG 103 Ca -0.02 -3.11 -0.27 0.00 -1.93 0.00 0.00 57.85 52.51 3hx3 n ARG 103 Cb 0.09 -1.64 0.00 0.00 -1.16 0.00 0.00 32.46 29.75 3hx3 n ARG 103 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3hx3 n LYS 104 N -1.16 -4.18 -1.32 5.56 5.02 -0.78 -1.44 118.16 119.86 3hx3 n LYS 104 Ca 0.21 0.50 -0.11 0.00 -2.02 0.00 0.00 58.31 56.88 3hx3 n LYS 104 Cb 0.75 -5.00 -0.05 0.00 -0.02 0.00 0.00 35.03 30.71 3hx3 n LYS 104 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3hx3 n PHE 105 N -4.43 0.00 -2.73 2.13 3.72 0.10 -4.95 117.46 111.30 3hx3 n PHE 105 Ca -0.16 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.81 3hx3 n PHE 105 Cb 0.62 -2.40 -0.03 0.00 -0.94 0.00 0.00 39.48 36.72 3hx3 n PHE 105 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3hx3 s ASN 106 N -2.56 6.30 0.18 4.37 3.84 -0.52 -4.91 114.94 121.62 3hx3 s ASN 106 Ca 0.00 -0.38 -0.13 0.00 0.21 0.00 0.00 52.86 52.56 3hx3 s ASN 106 Cb 0.00 -2.48 0.08 0.00 -0.55 0.00 0.00 41.25 38.29 3hx3 s ASN 106 CO 0.00 -1.44 1.81 0.58 -2.79 0.00 0.00 177.10 175.25 3hx3 h VAL 107 N 6.04 1.17 -0.69 -5.21 2.07 -1.92 -0.13 116.25 117.58 3hx3 h VAL 107 Ca -0.27 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 3hx3 h VAL 107 Cb 1.06 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 3hx3 h VAL 107 CO 1.17 0.18 0.40 1.23 0.02 0.00 0.00 177.57 180.56 3hx3 h GLY 108 N 0.77 1.02 1.40 2.17 0.00 -1.98 -0.36 103.07 106.10 3hx3 h GLY 108 Ca 0.21 -0.45 -0.13 0.00 0.00 0.00 0.00 47.33 46.96 3hx3 h GLY 108 CO -0.04 0.43 -0.34 3.21 0.00 0.00 0.00 176.54 179.80 3hx3 h ARG 109 N 0.95 0.67 -0.70 4.80 3.08 -1.86 -2.07 114.38 119.24 3hx3 h ARG 109 Ca 0.25 -0.32 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 3hx3 h ARG 109 Cb 0.01 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 3hx3 h ARG 109 CO -0.04 0.91 0.29 0.00 -1.07 0.00 0.00 179.97 180.06 3hx3 h ALA 110 N 1.06 1.19 -0.42 0.04 0.00 -0.51 -2.07 119.26 118.55 3hx3 h ALA 110 Ca 0.06 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 3hx3 h ALA 110 Cb 0.86 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3hx3 h ALA 110 CO 0.07 0.60 -0.16 -0.92 0.00 0.00 0.00 179.25 178.84 3hx3 h TYR 111 N 1.01 0.86 -0.66 0.00 3.20 -0.76 -1.57 116.97 119.06 3hx3 h TYR 111 Ca 0.24 -0.17 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 3hx3 h TYR 111 Cb 0.18 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.20 3hx3 h TYR 111 CO 0.02 0.88 0.34 1.49 -1.64 0.00 0.00 178.16 179.24 3hx3 h GLU 112 N 0.69 0.94 -0.68 1.82 4.57 -1.00 -0.35 114.58 120.57 3hx3 h GLU 112 Ca 0.11 -0.13 0.03 0.00 -1.18 0.00 0.00 59.36 58.19 3hx3 h GLU 112 Cb 0.65 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 29.02 3hx3 h GLU 112 CO 0.05 0.73 0.42 -0.07 -1.18 0.00 0.00 179.01 178.96 3hx3 h LEU 113 N 0.91 0.70 -0.99 1.64 3.38 -1.06 -2.64 115.31 117.24 3hx3 h LEU 113 Ca 0.23 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 3hx3 h LEU 113 Cb 0.09 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3hx3 h LEU 113 CO -0.03 0.48 0.32 0.25 0.09 0.00 0.00 178.44 179.55 3hx3 h LEU 114 N 0.83 0.95 -0.71 1.67 5.85 -0.67 -1.97 115.31 121.25 3hx3 h LEU 114 Ca 0.27 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.91 3hx3 h LEU 114 Cb 0.02 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 3hx3 h LEU 114 CO -0.11 0.82 0.45 0.03 -0.34 0.00 0.00 178.44 179.29 3hx3 h ARG 115 N 1.03 0.85 -0.39 1.25 3.08 -0.73 -0.91 114.38 118.56 3hx3 h ARG 115 Ca 0.25 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 60.12 3hx3 h ARG 115 Cb 0.14 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3hx3 h ARG 115 CO -0.03 0.56 -0.25 0.78 -1.07 0.00 0.00 179.97 179.96 3hx3 h GLY 116 N 0.87 0.86 0.97 0.04 0.00 -1.20 0.66 103.07 105.27 3hx3 h GLY 116 Ca 0.28 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 3hx3 h GLY 116 CO -0.11 0.69 0.22 -1.82 0.00 0.00 0.00 176.54 175.53 3hx3 h TYR 117 N 0.68 0.57 -0.25 5.60 3.20 -1.03 -1.79 116.97 123.97 3hx3 h TYR 117 Ca 0.09 -0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.77 3hx3 h TYR 117 Cb 0.78 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.86 3hx3 h TYR 117 CO 0.04 0.45 -0.54 0.28 -1.64 0.00 0.00 178.16 176.75 3hx3 h VAL 118 N 0.53 1.29 -0.99 1.81 2.07 -0.99 -3.11 116.25 116.87 3hx3 h VAL 118 Ca 0.15 -1.75 0.04 0.00 0.82 0.00 0.00 66.70 65.95 3hx3 h VAL 118 Cb 0.07 1.68 -0.06 0.00 -1.52 0.00 0.00 31.29 31.46 3hx3 h VAL 118 CO -0.02 0.56 0.64 -1.13 0.02 0.00 0.00 177.57 177.64 3hx3 h ASN 119 N 0.57 1.07 -0.98 0.57 -1.24 -0.60 -0.87 115.58 114.10 3hx3 h ASN 119 Ca 0.01 -0.01 0.03 0.00 0.71 0.00 0.00 56.30 57.04 3hx3 h ASN 119 Cb 1.12 -0.24 -0.05 0.00 0.73 0.00 0.00 38.32 39.87 3hx3 h ASN 119 CO 0.11 0.73 0.65 0.15 -1.29 0.00 0.00 177.43 177.78 3hx3 h PHE 120 N 1.24 1.22 0.00 0.67 3.57 -1.26 -0.85 116.94 121.52 3hx3 h PHE 120 Ca 0.40 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.82 3hx3 h PHE 120 Cb 0.02 -0.41 -0.02 0.00 2.79 0.00 0.00 35.95 38.33 3hx3 h PHE 120 CO -0.00 0.73 -0.52 0.00 -2.23 0.00 0.00 178.31 176.28 3hx3 h ARG 121 N 1.28 0.00 -0.18 1.11 3.08 -1.16 -1.79 114.38 116.72 3hx3 h ARG 121 Ca 0.38 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.24 3hx3 h ARG 121 Cb -0.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 3hx3 h ARG 121 CO -0.10 0.52 -0.65 -0.07 -1.07 0.00 0.00 179.97 178.60 3hx3 h LEU 122 N 0.00 0.75 0.00 3.04 3.38 -0.49 -3.20 115.31 118.79 3hx3 h LEU 122 Ca -0.01 -0.44 -0.12 0.00 0.09 0.00 0.00 57.88 57.40 3hx3 h LEU 122 Cb 1.01 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 3hx3 h LEU 122 CO 0.07 1.20 -0.57 1.56 0.09 0.00 0.00 178.44 180.79 3hx3 h GLN 123 N 0.48 0.00 -1.95 1.13 4.20 -0.98 -3.37 115.11 114.62 3hx3 h GLN 123 Ca -0.01 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.17 3hx3 h GLN 123 Cb 1.23 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 28.60 3hx3 h GLN 123 CO 0.13 0.55 -0.91 0.66 -0.67 0.00 0.00 178.83 178.58 3hx3 n TYR 124 N -3.23 2.28 0.28 2.96 4.01 -0.69 -4.90 117.16 117.87 3hx3 n TYR 124 Ca 0.02 -3.69 0.15 0.00 -0.16 0.00 0.00 57.90 54.22 3hx3 n TYR 124 Cb 0.76 -0.40 0.80 0.00 -0.31 0.00 0.00 39.34 40.19 3hx3 n TYR 124 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3hx3 h PRO 125 N 2.94 0.00 0.00 -0.72 0.13 -1.72 -1.30 132.00 131.33 3hx3 h PRO 125 Ca 0.12 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3hx3 h PRO 125 Cb 0.80 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 3hx3 h PRO 125 CO 0.67 0.08 -0.02 1.05 -0.23 0.00 0.00 178.00 179.55 3hx3 h GLU 126 N 0.00 0.00 0.00 0.86 9.09 -1.90 0.37 114.58 123.00 3hx3 h GLU 126 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3hx3 h GLU 126 Cb 0.32 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.42 3hx3 h GLU 126 CO 0.01 0.02 0.00 -0.07 0.05 0.00 0.00 179.01 179.02 3hx3 h LEU 127 N 0.00 0.00 0.00 3.06 3.38 -1.62 -3.38 115.31 116.75 3hx3 h LEU 127 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hx3 h LEU 127 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3hx3 h LEU 127 CO 0.00 0.00 -0.69 0.49 0.09 0.00 0.00 178.44 178.33 3hx3 n PHE 128 N -2.37 0.00 0.22 1.13 3.72 -0.18 -4.74 117.46 115.25 3hx3 n PHE 128 Ca 0.05 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.28 3hx3 n PHE 128 Cb 0.43 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.87 3hx3 n PHE 128 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3hx3 h ASP 129 N 0.00 -1.37 -0.80 4.37 3.32 -0.54 -3.21 116.42 118.19 3hx3 h ASP 129 Ca 0.00 0.12 -0.57 0.00 0.02 0.00 0.00 57.03 56.60 3hx3 h ASP 129 Cb 0.15 0.47 -0.41 0.00 0.22 0.00 0.00 39.33 39.77 3hx3 h ASP 129 CO 0.00 -0.61 -0.54 -1.54 -1.72 0.00 0.00 179.24 174.83 3hx3 n SER 130 N -5.53 5.38 -4.69 6.45 3.41 -1.26 -5.04 113.62 112.34 3hx3 n SER 130 Ca -0.10 -3.76 -0.42 0.00 -0.26 0.00 0.00 58.87 54.33 3hx3 n SER 130 Cb 0.43 -0.44 -0.03 0.00 -0.26 0.00 0.00 64.21 63.91 3hx3 n SER 130 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3hx3 s LEU 131 N -3.64 4.40 -0.25 1.04 2.96 -1.22 -4.98 118.68 116.99 3hx3 s LEU 131 Ca 0.53 2.77 -0.00 0.00 -0.22 0.00 0.00 54.13 57.21 3hx3 s LEU 131 Cb 0.43 -3.57 0.04 0.00 0.50 0.00 0.00 46.19 43.59 3hx3 s LEU 131 CO 0.03 -1.00 -0.09 -0.55 -1.32 0.00 0.00 176.35 173.42 3hx3 s SER 132 N 2.65 4.26 0.40 3.68 0.15 -1.26 -5.00 113.70 118.59 3hx3 s SER 132 Ca 0.81 -1.04 0.17 0.00 0.70 0.00 0.00 55.95 56.59 3hx3 s SER 132 Cb -0.46 -1.61 1.07 0.00 -1.71 0.00 0.00 66.02 63.30 3hx3 s SER 132 CO 0.36 -0.15 1.82 -0.65 1.20 0.00 0.00 173.24 175.82 3hx3 h PRO 133 N 7.93 0.42 -0.36 5.44 0.11 -1.99 -0.69 132.00 142.86 3hx3 h PRO 133 Ca -0.29 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.77 3hx3 h PRO 133 Cb 1.09 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 3hx3 h PRO 133 CO 0.55 0.28 0.14 1.49 -0.21 0.00 0.00 178.00 180.24 3hx3 h GLU 134 N 0.43 0.54 -0.53 1.05 4.81 -1.99 -0.63 114.58 118.25 3hx3 h GLU 134 Ca 0.53 -0.10 -0.09 0.00 -0.13 0.00 0.00 59.36 59.57 3hx3 h GLU 134 Cb 1.29 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 3hx3 h GLU 134 CO -0.23 0.52 -0.02 0.00 -0.73 0.00 0.00 179.01 178.55 3hx3 h ALA 135 N 0.98 0.71 -0.85 2.92 0.00 -1.60 -2.61 119.26 118.82 3hx3 h ALA 135 Ca 0.12 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3hx3 h ALA 135 Cb 0.19 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3hx3 h ALA 135 CO -0.01 0.55 0.55 0.28 0.00 0.00 0.00 179.25 180.61 3hx3 h VAL 136 N 0.82 1.23 -0.51 0.00 2.07 -1.13 -2.26 116.25 116.46 3hx3 h VAL 136 Ca 0.15 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 67.27 3hx3 h VAL 136 Cb 0.55 -0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.27 3hx3 h VAL 136 CO 0.03 0.23 0.25 -0.09 0.02 0.00 0.00 177.57 178.01 3hx3 h ARG 137 N 1.17 0.47 -0.70 1.57 2.43 -0.74 -1.74 114.38 116.84 3hx3 h ARG 137 Ca 0.31 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.45 3hx3 h ARG 137 Cb -0.10 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.31 3hx3 h ARG 137 CO -0.06 0.31 0.42 0.00 -1.51 0.00 0.00 179.97 179.13 3hx3 h THR 139 N 0.95 1.19 -0.47 0.00 2.02 -1.12 -1.23 112.91 114.25 3hx3 h THR 139 Ca 0.25 -0.39 -0.13 0.00 0.77 0.00 0.00 66.41 66.92 3hx3 h THR 139 Cb -0.03 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 3hx3 h THR 139 CO -0.05 0.19 -0.20 0.40 0.37 0.00 0.00 175.52 176.23 3hx3 h ILE 140 N 0.91 1.27 -0.53 3.11 2.04 -0.81 -2.38 117.51 121.12 3hx3 h ILE 140 Ca 0.24 -1.35 0.02 0.00 1.00 0.00 0.00 64.86 64.77 3hx3 h ILE 140 Cb -0.05 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 3hx3 h ILE 140 CO -0.05 0.47 0.35 -0.33 0.00 0.00 0.00 178.15 178.59 3hx3 h GLU 141 N 0.81 0.64 0.00 2.37 5.08 -0.41 0.60 114.58 123.66 3hx3 h GLU 141 Ca 0.11 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3hx3 h GLU 141 Cb 0.77 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3hx3 h GLU 141 CO 0.06 0.43 0.00 0.00 -1.00 0.00 0.00 179.01 178.50 3hx3 n ALA 142 N -2.46 1.79 -0.15 3.43 0.00 -0.49 -3.70 120.51 118.92 3hx3 n ALA 142 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3hx3 n ALA 142 Cb 0.10 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.29 3hx3 n ALA 142 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hx3 n GLY 143 N 0.14 0.92 3.07 0.00 0.00 0.20 -4.87 105.19 104.65 3hx3 n GLY 143 Ca 0.05 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 3hx3 n GLY 143 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hx3 s TYR 144 N -2.00 3.39 0.93 1.61 2.02 -0.93 -3.00 117.35 119.37 3hx3 s TYR 144 Ca 0.00 -2.45 -0.12 0.00 -0.37 0.00 0.00 57.07 54.13 3hx3 s TYR 144 Cb 0.00 -2.19 0.20 0.00 -0.40 0.00 0.00 41.96 39.58 3hx3 s TYR 144 CO 0.00 -0.89 1.26 -1.25 -1.57 0.00 0.00 175.55 173.10 3hx3 s PRO 145 N 1.07 0.68 0.40 -1.71 0.04 -1.26 -3.88 135.00 130.33 3hx3 s PRO 145 Ca -0.04 -0.72 0.08 0.00 0.04 0.00 0.00 61.00 60.36 3hx3 s PRO 145 Cb -0.20 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 3hx3 s PRO 145 CO -0.05 -2.31 0.42 0.20 0.04 0.00 0.00 177.00 175.29 3hx3 s GLY 146 N -4.92 2.02 -0.02 0.56 0.00 0.18 -4.84 107.32 100.30 3hx3 s GLY 146 Ca 0.74 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 43.68 3hx3 s GLY 146 CO 0.51 -1.62 0.02 0.14 0.00 0.00 0.00 173.10 172.16 3hx3 s VAL 147 N -2.41 0.02 0.43 1.40 1.01 -1.26 -0.02 120.40 119.58 3hx3 s VAL 147 Ca 0.49 0.16 -0.22 0.00 0.00 0.00 0.00 61.98 62.41 3hx3 s VAL 147 Cb -0.06 -0.14 -0.10 0.00 0.00 0.00 0.00 36.38 36.09 3hx3 s VAL 147 CO 0.29 0.10 0.99 -0.76 0.00 0.00 0.00 175.10 175.72 3hx3 s LEU 148 N 0.99 3.98 0.25 3.92 1.43 -0.14 -4.90 118.68 124.21 3hx3 s LEU 148 Ca -0.09 1.82 0.10 0.00 -1.03 0.00 0.00 54.13 54.94 3hx3 s LEU 148 Cb -0.12 -4.45 0.27 0.00 0.03 0.00 0.00 46.19 41.92 3hx3 s LEU 148 CO -0.02 -0.48 1.56 0.77 0.23 0.00 0.00 176.35 178.41 3hx3 h SER 149 N 2.01 0.00 -3.11 2.29 4.64 -1.90 -3.44 113.55 114.04 3hx3 h SER 149 Ca -0.49 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.19 3hx3 h SER 149 Cb 1.20 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.20 3hx3 h SER 149 CO 0.61 0.67 -0.58 -0.44 -0.87 0.00 0.00 176.83 176.22 3hx3 s SER 150 N -6.80 5.69 0.66 4.97 0.01 -1.26 -5.11 113.70 111.86 3hx3 s SER 150 Ca -0.01 0.11 -0.11 0.00 1.31 0.00 0.00 55.95 57.25 3hx3 s SER 150 Cb 0.12 -1.61 -0.02 0.00 0.21 0.00 0.00 66.02 64.72 3hx3 s SER 150 CO 0.77 0.23 1.05 -0.13 0.41 0.00 0.00 173.24 175.56 3hx3 s ARG 151 N -2.04 3.26 0.24 12.44 0.52 -1.26 -4.56 118.95 127.55 3hx3 s ARG 151 Ca 0.26 0.81 -0.03 0.00 -0.52 0.00 0.00 55.73 56.24 3hx3 s ARG 151 Cb -0.12 -2.04 0.05 0.00 0.52 0.00 0.00 34.95 33.36 3hx3 s ARG 151 CO 0.18 -0.83 0.33 -0.40 0.02 0.00 0.00 175.30 174.60 3hx3 n ASP 152 N -2.93 0.11 0.15 0.23 5.68 -0.66 -4.87 116.55 114.26 3hx3 n ASP 152 Ca 0.07 -1.17 0.13 0.00 -0.50 0.00 0.00 54.79 53.32 3hx3 n ASP 152 Cb 0.54 -0.24 0.52 0.00 -1.14 0.00 0.00 41.12 40.80 3hx3 n ASP 152 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3hx3 h LYS 153 N 0.00 0.00 -0.06 0.11 2.10 -1.91 -0.98 116.57 115.83 3hx3 h LYS 153 Ca -0.11 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.54 3hx3 h LYS 153 Cb 0.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.64 3hx3 h LYS 153 CO 0.08 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.19 3hx3 n TYR 154 N -2.37 0.06 -1.03 0.07 4.01 -1.26 -4.92 117.16 111.72 3hx3 n TYR 154 Ca 0.02 -0.03 -0.01 0.00 -0.16 0.00 0.00 57.90 57.72 3hx3 n TYR 154 Cb 0.25 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.27 3hx3 n TYR 154 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hx3 n GLY 155 N 1.19 0.49 3.83 2.72 0.00 -0.37 -4.89 105.19 108.16 3hx3 n GLY 155 Ca 0.18 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 3hx3 n GLY 155 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hx3 s ARG 156 N -1.10 4.13 0.28 1.61 0.52 -1.26 -4.76 118.95 118.38 3hx3 s ARG 156 Ca 0.00 0.81 -0.29 0.00 -0.52 0.00 0.00 55.73 55.73 3hx3 s ARG 156 Cb 0.00 -2.56 -0.10 0.00 0.52 0.00 0.00 34.95 32.81 3hx3 s ARG 156 CO 0.00 0.22 1.15 0.08 0.02 0.00 0.00 175.30 176.76 3hx3 s VAL 157 N -1.84 3.34 0.43 3.52 1.01 -0.80 -1.65 120.40 124.41 3hx3 s VAL 157 Ca 0.51 1.33 0.07 0.00 0.00 0.00 0.00 61.98 63.90 3hx3 s VAL 157 Cb -0.12 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 3hx3 s VAL 157 CO 0.18 0.31 0.32 -0.69 0.00 0.00 0.00 175.10 175.22 3hx3 s VAL 158 N -1.05 2.43 -0.26 2.92 1.01 -1.26 -1.07 120.40 123.11 3hx3 s VAL 158 Ca 0.46 -1.48 -0.27 0.00 0.00 0.00 0.00 61.98 60.69 3hx3 s VAL 158 Cb -0.34 -2.91 0.16 0.00 0.00 0.00 0.00 36.38 33.30 3hx3 s VAL 158 CO 0.43 0.00 1.25 -0.76 0.00 0.00 0.00 175.10 176.02 3hx3 s LEU 160 N -4.07 -0.20 -0.12 3.92 1.43 0.97 -0.96 118.68 119.66 3hx3 s LEU 160 Ca 0.44 0.31 -0.04 0.00 -1.03 0.00 0.00 54.13 53.81 3hx3 s LEU 160 Cb -0.01 1.42 0.06 0.00 0.03 0.00 0.00 46.19 47.69 3hx3 s LEU 160 CO 0.25 -0.12 0.24 0.12 0.23 0.00 0.00 176.35 177.08 3hx3 s PHE 161 N -0.43 -0.36 -0.31 0.29 5.36 -0.35 0.48 117.98 122.65 3hx3 s PHE 161 Ca 0.05 0.87 -0.05 0.00 -0.96 0.00 0.00 56.93 56.84 3hx3 s PHE 161 Cb -0.03 -0.08 0.03 0.00 -0.34 0.00 0.00 43.02 42.60 3hx3 s PHE 161 CO -0.08 -0.32 0.06 1.21 -1.46 0.00 0.00 175.22 174.63 3hx3 s ASN 162 N 2.27 5.08 0.16 6.13 3.84 -1.26 -0.96 114.94 130.19 3hx3 s ASN 162 Ca 0.00 -1.03 0.26 0.00 0.21 0.00 0.00 52.86 52.30 3hx3 s ASN 162 Cb -0.12 -1.82 0.93 0.00 -0.55 0.00 0.00 41.25 39.69 3hx3 s ASN 162 CO -0.08 -0.26 1.79 0.00 -2.79 0.00 0.00 177.10 175.76 3hx3 n ILE 163 N 4.77 0.49 -1.68 -5.21 3.06 -1.00 -4.68 119.36 115.12 3hx3 n ILE 163 Ca -0.13 -0.14 -0.50 0.00 -2.50 0.00 0.00 62.75 59.48 3hx3 n ILE 163 Cb 0.45 -0.65 -0.05 0.00 0.54 0.00 0.00 39.64 39.94 3hx3 n ILE 163 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 3hx3 n GLU 164 N -2.05 1.94 -1.12 9.51 2.13 -1.26 -0.72 120.64 129.08 3hx3 n GLU 164 Ca 0.05 0.71 -0.04 0.00 0.66 0.00 0.00 57.16 58.54 3hx3 n GLU 164 Cb 0.38 -2.50 -0.02 0.00 0.27 0.00 0.00 31.44 29.57 3hx3 n GLU 164 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3hx3 n ASN 165 N 5.62 -5.05 -4.69 4.31 3.02 -1.26 -4.95 115.26 112.26 3hx3 n ASN 165 Ca 0.22 0.10 -0.42 0.00 -0.03 0.00 0.00 54.58 54.45 3hx3 n ASN 165 Cb 0.26 -2.92 -0.03 0.00 -0.61 0.00 0.00 39.78 36.48 3hx3 n ASN 165 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3hx3 s TRP 166 N -1.64 2.25 -0.36 3.10 -0.00 0.11 -4.96 118.94 117.43 3hx3 s TRP 166 Ca 0.00 0.18 -0.05 0.00 -0.00 0.00 0.00 56.10 56.23 3hx3 s TRP 166 Cb 0.00 -4.03 0.07 0.00 -0.00 0.00 0.00 33.47 29.51 3hx3 s TRP 166 CO 0.00 -4.22 0.13 -0.65 -0.00 0.00 0.00 176.95 172.21 3hx3 s GLN 167 N 2.87 2.39 0.53 5.86 -0.21 -1.26 -4.97 119.66 124.87 3hx3 s GLN 167 Ca 0.77 -1.43 0.31 0.00 0.02 0.00 0.00 55.36 55.02 3hx3 s GLN 167 Cb -0.41 -3.48 1.46 0.00 1.00 0.00 0.00 33.01 31.58 3hx3 s GLN 167 CO 0.34 -0.82 2.04 0.66 -2.12 0.00 0.00 175.29 175.39 3hx3 h SER 168 N 8.15 0.00 1.86 5.90 4.64 -1.94 -0.35 113.55 131.81 3hx3 h SER 168 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3hx3 h SER 168 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3hx3 h SER 168 CO 0.64 0.09 0.00 0.06 -0.87 0.00 0.00 176.83 176.75 3hx3 h GLN 169 N 0.00 0.00 0.05 4.77 -0.00 -1.99 -3.23 115.11 114.71 3hx3 h GLN 169 Ca -0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 58.65 58.28 3hx3 h GLN 169 Cb 0.43 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 27.86 3hx3 h GLN 169 CO 0.01 0.00 -2.15 0.39 -0.00 0.00 0.00 178.83 177.08 3hx3 n GLU 170 N -2.98 0.68 -3.87 0.06 1.02 -0.29 -4.83 120.64 110.44 3hx3 n GLU 170 Ca 0.04 0.26 -0.29 0.00 -0.02 0.00 0.00 57.16 57.15 3hx3 n GLU 170 Cb 0.50 -1.62 -0.16 0.00 -0.02 0.00 0.00 31.44 30.14 3hx3 n GLU 170 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3hx3 s ILE 171 N -2.52 1.16 0.63 -3.67 1.01 -0.34 -5.09 121.20 112.38 3hx3 s ILE 171 Ca -0.30 -0.95 -0.13 0.00 0.00 0.00 0.00 60.65 59.27 3hx3 s ILE 171 Cb 0.08 -1.50 -0.02 0.00 0.01 0.00 0.00 42.46 41.03 3hx3 s ILE 171 CO 0.66 -0.12 1.04 0.42 0.00 0.00 0.00 174.94 176.94 3hx3 s THR 172 N 1.57 4.15 0.23 2.92 -4.23 -1.22 -4.18 115.64 114.88 3hx3 s THR 172 Ca -0.04 0.82 -0.06 0.00 -1.18 0.00 0.00 61.69 61.23 3hx3 s THR 172 Cb -0.18 -3.52 0.19 0.00 1.34 0.00 0.00 72.50 70.33 3hx3 s THR 172 CO -0.07 -0.79 1.80 0.15 -0.54 0.00 0.00 174.62 175.16 3hx3 h PHE 173 N -0.13 0.74 -0.73 3.99 -0.00 -1.97 -1.41 116.94 117.43 3hx3 h PHE 173 Ca -0.45 0.03 0.04 0.00 -0.00 0.00 0.00 57.97 57.59 3hx3 h PHE 173 Cb 1.21 -0.22 -0.05 0.00 -0.00 0.00 0.00 35.95 36.89 3hx3 h PHE 173 CO 0.62 0.30 0.45 -0.44 -0.00 0.00 0.00 178.31 179.23 3hx3 h ASP 174 N 0.70 0.71 -0.31 0.41 3.32 -1.97 -1.02 116.42 118.26 3hx3 h ASP 174 Ca 0.36 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.38 3hx3 h ASP 174 Cb 0.34 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 3hx3 h ASP 174 CO -0.25 0.48 0.07 -0.33 -1.72 0.00 0.00 179.24 177.50 3hx3 h GLU 175 N 0.85 0.59 -0.36 3.56 5.08 -1.66 0.12 114.58 122.76 3hx3 h GLU 175 Ca 0.30 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.43 3hx3 h GLU 175 Cb 0.08 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3hx3 h GLU 175 CO -0.13 0.56 -0.26 0.82 -1.00 0.00 0.00 179.01 178.99 3hx3 h ILE 176 N 0.57 1.29 -0.21 3.13 2.04 -0.56 -2.14 117.51 121.63 3hx3 h ILE 176 Ca 0.13 -1.42 -0.09 0.00 1.00 0.00 0.00 64.86 64.48 3hx3 h ILE 176 Cb 0.26 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 3hx3 h ILE 176 CO 0.00 0.47 -0.24 -0.07 0.00 0.00 0.00 178.15 178.31 3hx3 h LEU 177 N 0.60 0.39 -0.77 1.44 3.38 -0.83 -0.86 115.31 118.66 3hx3 h LEU 177 Ca 0.07 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3hx3 h LEU 177 Cb 0.83 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 3hx3 h LEU 177 CO 0.07 0.63 0.47 1.56 0.09 0.00 0.00 178.44 181.27 3hx3 h GLN 178 N 0.35 1.04 -0.25 1.13 4.20 -0.84 -1.29 115.11 119.45 3hx3 h GLN 178 Ca 0.05 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 3hx3 h GLN 178 Cb 0.62 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 3hx3 h GLN 178 CO 0.04 0.72 0.06 0.00 -0.67 0.00 0.00 178.83 178.99 3hx3 h ALA 179 N 1.25 0.33 -0.47 3.87 0.00 -0.86 -0.71 119.26 122.67 3hx3 h ALA 179 Ca 0.28 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.12 3hx3 h ALA 179 Cb -0.06 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.55 3hx3 h ALA 179 CO -0.05 -0.02 -0.08 1.88 0.00 0.00 0.00 179.25 180.97 3hx3 h TYR 180 N 0.23 -0.17 -0.66 0.00 0.05 -0.96 -0.49 116.97 114.98 3hx3 h TYR 180 Ca 0.08 0.04 -0.08 0.00 0.05 0.00 0.00 58.73 58.81 3hx3 h TYR 180 Cb 0.27 0.15 -0.03 0.00 1.01 0.00 0.00 36.73 38.14 3hx3 h TYR 180 CO 0.01 -0.17 0.08 0.00 -1.05 0.00 0.00 178.16 177.03 3hx3 h PHE 182 N 1.02 0.63 -0.18 0.00 3.57 -0.73 -1.44 116.94 119.81 3hx3 h PHE 182 Ca 0.20 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 3hx3 h PHE 182 Cb 0.47 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 3hx3 h PHE 182 CO 0.03 0.58 0.04 0.82 -2.23 0.00 0.00 178.31 177.55 3hx3 h ILE 183 N 0.49 1.21 -0.62 1.41 2.04 -0.90 -3.00 117.51 118.14 3hx3 h ILE 183 Ca 0.13 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.30 3hx3 h ILE 183 Cb 0.24 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 3hx3 h ILE 183 CO -0.01 0.21 0.30 -0.07 0.00 0.00 0.00 178.15 178.58 3hx3 h LEU 184 N 0.09 0.78 -0.81 1.44 3.38 -0.86 0.14 115.31 119.47 3hx3 h LEU 184 Ca 0.06 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.99 3hx3 h LEU 184 Cb 0.28 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 3hx3 h LEU 184 CO 0.00 0.66 0.51 -0.33 0.09 0.00 0.00 178.44 179.37 3hx3 h GLU 185 N 0.87 0.95 -0.11 1.13 4.39 -1.21 0.12 114.58 120.72 3hx3 h GLU 185 Ca 0.22 -0.06 -0.12 0.00 0.34 0.00 0.00 59.36 59.74 3hx3 h GLU 185 Cb 0.08 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 3hx3 h GLU 185 CO -0.03 0.63 -0.40 0.87 -1.16 0.00 0.00 179.01 178.92 3hx3 h LYS 186 N 0.98 0.47 -0.37 2.33 1.79 -1.21 -3.26 116.57 117.31 3hx3 h LYS 186 Ca 0.34 -0.36 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 3hx3 h LYS 186 Cb 0.06 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 3hx3 h LYS 186 CO -0.13 0.98 0.19 -0.07 -1.08 0.00 0.00 179.45 179.34 3hx3 h LEU 187 N 0.06 0.44 0.00 2.94 3.38 -0.41 -2.20 115.31 119.52 3hx3 h LEU 187 Ca -0.02 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3hx3 h LEU 187 Cb 1.03 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3hx3 h LEU 187 CO 0.09 0.36 0.00 0.18 0.09 0.00 0.00 178.44 179.16 3hx3 n LEU 188 N -4.43 0.00 0.28 1.67 4.77 0.00 -2.15 117.00 117.14 3hx3 n LEU 188 Ca 0.02 0.07 0.18 0.00 -0.03 0.00 0.00 56.01 56.25 3hx3 n LEU 188 Cb 0.10 -0.07 0.77 0.00 -2.33 0.00 0.00 43.42 41.89 3hx3 n LEU 188 CO 0.36 -0.01 1.02 -0.33 -1.33 0.00 0.00 177.39 177.10 3hx3 h GLU 189 N 0.00 0.00 -6.05 3.23 5.08 -1.49 -3.44 114.58 111.91 3hx3 h GLU 189 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 3hx3 h GLU 189 Cb 0.06 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 3hx3 h GLU 189 CO 0.00 0.02 0.16 1.21 -1.00 0.00 0.00 179.01 179.40 3hx3 s ASN 190 N -5.66 7.02 0.26 1.42 3.84 -0.91 -4.97 114.94 115.94 3hx3 s ASN 190 Ca -0.00 1.23 0.07 0.00 0.21 0.00 0.00 52.86 54.37 3hx3 s ASN 190 Cb 0.10 -2.43 0.33 0.00 -0.55 0.00 0.00 41.25 38.69 3hx3 s ASN 190 CO 0.53 -0.18 1.60 -0.33 -2.79 0.00 0.00 177.10 175.93 3hx3 h GLU 191 N 6.87 0.15 -0.41 0.43 5.08 -1.89 -1.91 114.58 122.91 3hx3 h GLU 191 Ca -0.39 -0.10 -0.08 0.00 -1.00 0.00 0.00 59.36 57.79 3hx3 h GLU 191 Cb 1.19 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 3hx3 h GLU 191 CO 0.76 0.69 -0.06 0.93 -1.00 0.00 0.00 179.01 180.33 3hx3 h GLU 192 N 0.11 0.76 -0.29 2.33 5.08 -1.96 -2.99 114.58 117.63 3hx3 h GLU 192 Ca -0.00 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.04 3hx3 h GLU 192 Cb 1.05 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 3hx3 h GLU 192 CO 0.08 0.88 0.01 1.15 -1.00 0.00 0.00 179.01 180.13 3hx3 h THR 193 N 0.58 1.17 -0.15 1.13 2.02 -1.82 0.72 112.91 116.56 3hx3 h THR 193 Ca 0.11 -0.68 0.04 0.00 0.77 0.00 0.00 66.41 66.65 3hx3 h THR 193 Cb 0.57 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 3hx3 h THR 193 CO 0.03 0.23 0.22 1.56 0.37 0.00 0.00 175.52 177.93 3hx3 h GLN 194 N 0.43 0.00 0.00 6.66 4.20 -1.19 0.99 115.11 126.20 3hx3 h GLN 194 Ca 0.10 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.50 3hx3 h GLN 194 Cb 0.28 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.01 3hx3 h GLN 194 CO 0.01 0.00 -1.97 -0.89 -0.67 0.00 0.00 178.83 175.31 3hx3 n ILE 195 N -3.56 1.35 0.09 2.54 2.08 -0.77 -4.35 119.36 116.75 3hx3 n ILE 195 Ca 0.01 -0.21 -0.04 0.00 0.56 0.00 0.00 62.75 63.07 3hx3 n ILE 195 Cb 0.32 -1.93 0.16 0.00 -0.75 0.00 0.00 39.64 37.45 3hx3 n ILE 195 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 3hx3 h ASN 196 N -0.86 0.27 0.00 4.38 2.35 -0.82 -3.49 115.58 117.41 3hx3 h ASN 196 Ca -0.46 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.16 3hx3 h ASN 196 Cb 1.36 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.66 3hx3 h ASN 196 CO -0.28 0.74 0.00 0.61 -1.65 0.00 0.00 177.43 176.85 3hx3 n GLY 197 N 0.07 -0.60 3.17 2.83 0.00 0.34 -4.68 105.19 106.32 3hx3 n GLY 197 Ca -0.02 -1.13 -0.09 0.00 0.00 0.00 0.00 46.02 44.79 3hx3 n GLY 197 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hx3 s PHE 198 N 0.00 0.58 0.31 1.61 -0.12 0.14 -1.90 117.98 118.59 3hx3 s PHE 198 Ca 0.00 -1.01 0.04 0.00 -0.05 0.00 0.00 56.93 55.91 3hx3 s PHE 198 Cb 0.00 -0.32 -0.06 0.00 -0.63 0.00 0.00 43.02 42.01 3hx3 s PHE 198 CO 0.00 -0.51 0.05 0.00 -0.05 0.00 0.00 175.22 174.70 3hx3 s ILE 200 N -3.29 1.32 -0.22 0.00 1.01 -0.38 -4.47 121.20 115.16 3hx3 s ILE 200 Ca 0.36 -0.64 -0.04 0.00 0.00 0.00 0.00 60.65 60.32 3hx3 s ILE 200 Cb 0.08 -1.14 -0.01 0.00 0.01 0.00 0.00 42.46 41.39 3hx3 s ILE 200 CO 0.15 0.38 -0.02 -0.63 0.00 0.00 0.00 174.94 174.82 3hx3 s ILE 201 N 0.15 3.61 -0.31 2.92 -1.09 -1.26 -0.67 121.20 124.56 3hx3 s ILE 201 Ca -0.06 -0.42 -0.04 0.00 -2.23 0.00 0.00 60.65 57.90 3hx3 s ILE 201 Cb -0.12 -2.64 0.04 0.00 -1.58 0.00 0.00 42.46 38.15 3hx3 s ILE 201 CO 0.02 0.41 0.04 -1.61 -1.23 0.00 0.00 174.94 172.58 3hx3 s GLU 202 N 1.37 2.67 -0.46 2.79 0.41 0.77 -1.21 118.70 125.05 3hx3 s GLU 202 Ca 0.04 -1.12 -0.22 0.00 -0.41 0.00 0.00 54.97 53.27 3hx3 s GLU 202 Cb -0.14 -3.29 0.03 0.00 -1.78 0.00 0.00 34.13 28.94 3hx3 s GLU 202 CO -0.01 -0.57 0.72 1.21 -0.49 0.00 0.00 175.26 176.11 3hx3 s ASN 203 N 1.36 6.35 -0.19 -0.19 3.84 -0.14 -1.18 114.94 124.79 3hx3 s ASN 203 Ca -0.02 -0.31 0.16 0.00 0.21 0.00 0.00 52.86 52.90 3hx3 s ASN 203 Cb -0.19 -2.35 0.65 0.00 -0.55 0.00 0.00 41.25 38.81 3hx3 s ASN 203 CO 0.01 -0.88 1.56 0.49 -2.79 0.00 0.00 177.10 175.49 3hx3 n PHE 204 N 6.52 1.42 -0.28 0.43 3.01 -0.18 -2.36 117.46 126.02 3hx3 n PHE 204 Ca -0.00 -0.78 0.08 0.00 1.01 0.00 0.00 57.45 57.76 3hx3 n PHE 204 Cb 0.48 -0.38 0.23 0.00 -0.01 0.00 0.00 39.48 39.80 3hx3 n PHE 204 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 3hx3 h LYS 205 N 2.85 0.42 -0.66 -1.08 1.63 -1.61 -1.80 116.57 116.32 3hx3 h LYS 205 Ca 0.00 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 3hx3 h LYS 205 Cb 1.63 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 33.16 3hx3 h LYS 205 CO 0.32 0.28 0.02 0.41 -3.45 0.00 0.00 179.45 177.03 3hx3 n GLY 206 N -1.33 2.80 3.60 5.01 0.00 -1.26 -4.88 105.19 109.12 3hx3 n GLY 206 Ca 0.17 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 3hx3 n GLY 206 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hx3 s PHE 207 N -2.50 1.88 0.00 1.61 5.36 -0.68 -4.43 117.98 119.22 3hx3 s PHE 207 Ca 0.46 0.63 0.00 0.00 -0.96 0.00 0.00 56.93 57.07 3hx3 s PHE 207 Cb 0.35 -4.15 0.00 0.00 -0.34 0.00 0.00 43.02 38.88 3hx3 s PHE 207 CO 0.13 -2.80 0.00 0.25 -1.46 0.00 0.00 175.22 171.34 3hx3 n THR 208 N 7.36 0.00 0.00 0.12 -2.24 -1.26 -4.81 114.28 113.45 3hx3 n THR 208 Ca 0.22 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 3hx3 n THR 208 Cb 0.47 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 3hx3 n THR 208 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3hx3 n GLN 210 N 0.00 0.00 -0.09 -0.78 7.27 -1.26 -1.46 117.38 121.07 3hx3 n GLN 210 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 57.00 3hx3 n GLN 210 Cb 0.00 0.00 0.01 0.00 2.41 0.00 0.00 30.24 32.66 3hx3 n GLN 210 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 3hx3 h GLN 211 N 0.00 0.20 -0.90 3.69 4.20 -1.96 -1.97 115.11 118.37 3hx3 h GLN 211 Ca 0.00 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.72 3hx3 h GLN 211 Cb 0.00 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.69 3hx3 h GLN 211 CO 0.00 0.13 0.59 0.00 -0.67 0.00 0.00 178.83 178.88 3hx3 h ALA 212 N 1.22 1.16 0.00 3.87 0.00 -1.63 -1.52 119.26 122.37 3hx3 h ALA 212 Ca 0.15 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3hx3 h ALA 212 Cb 0.14 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3hx3 h ALA 212 CO -0.17 0.48 -0.17 0.00 0.00 0.00 0.00 179.25 179.39 3hx3 h ALA 213 N 1.35 0.99 0.00 0.00 0.00 -1.77 -3.13 119.26 116.70 3hx3 h ALA 213 Ca 0.34 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3hx3 h ALA 213 Cb -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3hx3 h ALA 213 CO -0.10 0.21 -0.58 0.66 0.00 0.00 0.00 179.25 179.44 3hx3 h SER 214 N 0.00 0.00 -2.61 0.00 4.64 -0.52 -3.46 113.55 111.60 3hx3 h SER 214 Ca -0.00 -0.01 -0.53 0.00 -0.47 0.00 0.00 61.79 60.78 3hx3 h SER 214 Cb 0.76 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.88 3hx3 h SER 214 CO 0.02 0.01 1.05 -0.76 -0.87 0.00 0.00 176.83 176.28 3hx3 s LEU 215 N -5.60 4.39 -0.02 5.97 1.43 -0.95 -4.97 118.68 118.92 3hx3 s LEU 215 Ca 0.03 2.69 -0.20 0.00 -1.03 0.00 0.00 54.13 55.62 3hx3 s LEU 215 Cb 0.08 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.68 3hx3 s LEU 215 CO 0.74 -0.96 0.57 -0.13 0.23 0.00 0.00 176.35 176.80 3hx3 s ARG 216 N 2.44 4.29 0.35 1.70 0.52 -1.26 -4.97 118.95 122.02 3hx3 s ARG 216 Ca 0.78 0.67 0.05 0.00 -0.52 0.00 0.00 55.73 56.71 3hx3 s ARG 216 Cb -0.45 -3.35 0.70 0.00 0.52 0.00 0.00 34.95 32.37 3hx3 s ARG 216 CO 0.34 0.35 1.94 1.15 0.02 0.00 0.00 175.30 179.11 3hx3 h THR 217 N 4.21 1.02 -0.19 0.02 2.02 -1.99 -1.22 112.91 116.78 3hx3 h THR 217 Ca -0.45 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 66.42 3hx3 h THR 217 Cb 1.20 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 3hx3 h THR 217 CO 0.70 0.15 -0.01 0.77 0.37 0.00 0.00 175.52 177.49 3hx3 h SER 218 N 0.82 0.25 -0.13 4.18 4.64 -1.99 0.29 113.55 121.62 3hx3 h SER 218 Ca 0.34 -0.03 -0.19 0.00 -0.47 0.00 0.00 61.79 61.43 3hx3 h SER 218 Cb 0.27 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.30 3hx3 h SER 218 CO -0.12 0.32 -0.67 0.44 -0.87 0.00 0.00 176.83 175.93 3hx3 h ASP 219 N 0.27 0.80 -0.88 4.97 3.32 -1.65 -2.11 116.42 121.15 3hx3 h ASP 219 Ca 0.06 -0.64 -0.02 0.00 0.02 0.00 0.00 57.03 56.45 3hx3 h ASP 219 Cb 0.21 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 3hx3 h ASP 219 CO 0.01 1.32 0.45 -0.07 -1.72 0.00 0.00 179.24 179.22 3hx3 h LEU 220 N 0.35 1.12 -1.05 1.55 3.38 -0.97 -2.32 115.31 117.37 3hx3 h LEU 220 Ca -0.05 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 3hx3 h LEU 220 Cb 1.31 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 3hx3 h LEU 220 CO 0.14 0.92 -0.06 0.03 0.09 0.00 0.00 178.44 179.55 3hx3 h ARG 221 N 1.24 0.61 -0.54 1.13 3.08 -0.95 -0.91 114.38 118.04 3hx3 h ARG 221 Ca 0.31 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3hx3 h ARG 221 Cb 0.07 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3hx3 h ARG 221 CO -0.04 0.68 0.00 1.17 -1.07 0.00 0.00 179.97 180.70 3hx3 n LYS 222 N -4.22 0.09 0.00 0.04 4.81 -0.80 -0.92 118.16 117.16 3hx3 n LYS 222 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 3hx3 n LYS 222 Cb 0.30 -1.15 0.00 0.00 0.02 0.00 0.00 35.03 34.21 3hx3 n LYS 222 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3hx3 n VAL 224 N 0.58 0.00 -0.18 3.15 0.31 -0.35 -4.69 118.33 117.14 3hx3 n VAL 224 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3hx3 n VAL 224 Cb 0.03 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 3hx3 n VAL 224 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3hx3 n ASP 225 N 0.00 2.33 0.00 4.52 8.00 -0.10 -0.35 116.55 130.96 3hx3 n ASP 225 Ca 0.00 -1.59 0.00 0.00 0.71 0.00 0.00 54.79 53.91 3hx3 n ASP 225 Cb 0.00 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 3hx3 n ASP 225 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3hx3 n LEU 227 N 1.71 0.00 -0.03 0.64 4.77 -1.26 -0.21 117.00 122.61 3hx3 n LEU 227 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 3hx3 n LEU 227 Cb 0.22 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.18 3hx3 n LEU 227 CO 0.00 0.00 -0.66 1.67 -1.33 0.00 0.00 177.39 177.07 3hx3 n GLN 228 N 0.00 0.65 -0.09 3.23 7.27 0.53 -2.16 117.38 126.81 3hx3 n GLN 228 Ca 0.00 0.20 -0.16 0.00 0.07 0.00 0.00 57.00 57.11 3hx3 n GLN 228 Cb 0.00 -1.72 -0.07 0.00 2.41 0.00 0.00 30.24 30.86 3hx3 n GLN 228 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3hx3 n ASP 229 N -2.93 1.88 -0.03 1.69 8.00 0.70 -4.45 116.55 121.41 3hx3 n ASP 229 Ca -0.20 0.08 -0.15 0.00 0.71 0.00 0.00 54.79 55.24 3hx3 n ASP 229 Cb 1.04 -0.41 -0.12 0.00 -0.02 0.00 0.00 41.12 41.61 3hx3 n ASP 229 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 3hx3 h SER 230 N -0.36 0.16 -0.14 -2.24 0.87 -1.59 -3.09 113.55 107.15 3hx3 h SER 230 Ca -0.41 -0.84 -0.14 0.00 -1.23 0.00 0.00 61.79 59.17 3hx3 h SER 230 Cb 1.47 -0.05 -0.18 0.00 -0.44 0.00 0.00 62.40 63.20 3hx3 h SER 230 CO -0.18 0.98 -0.71 0.49 -0.53 0.00 0.00 176.83 176.87 3hx3 n PHE 231 N -4.53 0.49 0.24 2.24 3.72 -1.26 -4.47 117.46 113.88 3hx3 n PHE 231 Ca -0.10 -1.41 0.07 0.00 -0.05 0.00 0.00 57.45 55.96 3hx3 n PHE 231 Cb 0.50 -0.24 0.59 0.00 -0.94 0.00 0.00 39.48 39.40 3hx3 n PHE 231 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3hx3 h PRO 232 N 1.28 0.00 0.00 -1.08 0.13 -1.65 0.23 132.00 130.91 3hx3 h PRO 232 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3hx3 h PRO 232 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 3hx3 h PRO 232 CO 0.15 0.12 0.00 0.00 -0.23 0.00 0.00 178.00 178.03 3hx3 h ALA 233 N 1.88 1.00 0.00 -0.56 0.00 -1.89 -3.31 119.26 116.38 3hx3 h ALA 233 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3hx3 h ALA 233 Cb 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3hx3 h ALA 233 CO 0.01 0.00 -1.35 0.91 0.00 0.00 0.00 179.25 178.83 3hx3 n TRP 234 N -2.62 0.00 -2.29 0.00 8.01 -0.29 -4.83 117.44 115.42 3hx3 n TRP 234 Ca 0.01 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 55.77 3hx3 n TRP 234 Cb 0.23 -0.25 -0.02 0.00 -2.01 0.00 0.00 31.31 29.26 3hx3 n TRP 234 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.69 176.80 3hx3 s PHE 235 N -2.15 2.53 -0.13 -5.99 5.36 -0.09 -0.69 117.98 116.83 3hx3 s PHE 235 Ca -0.03 0.74 0.07 0.00 -0.96 0.00 0.00 56.93 56.76 3hx3 s PHE 235 Cb 0.02 -3.71 -0.13 0.00 -0.34 0.00 0.00 43.02 38.86 3hx3 s PHE 235 CO 0.21 -2.37 -0.02 1.63 -1.46 0.00 0.00 175.22 173.22 3hx3 n LYS 236 N 6.94 1.49 -3.57 10.12 4.76 -0.02 -4.92 118.16 132.95 3hx3 n LYS 236 Ca 0.15 0.03 -0.13 0.00 -2.87 0.00 0.00 58.31 55.49 3hx3 n LYS 236 Cb 0.45 -1.30 -0.06 0.00 -1.84 0.00 0.00 35.03 32.27 3hx3 n LYS 236 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hx3 s ALA 237 N -2.29 -1.87 -0.05 7.82 0.00 -1.25 -4.78 121.76 119.33 3hx3 s ALA 237 Ca -0.11 1.58 0.02 0.00 0.00 0.00 0.00 51.96 53.46 3hx3 s ALA 237 Cb 0.04 -0.63 0.01 0.00 0.00 0.00 0.00 23.12 22.54 3hx3 s ALA 237 CO 0.44 -0.32 -0.11 -1.50 0.00 0.00 0.00 175.76 174.27 3hx3 s ILE 238 N -0.79 0.97 -0.23 0.00 2.07 -0.07 -1.25 121.20 121.89 3hx3 s ILE 238 Ca -0.04 -0.41 -0.00 0.00 -1.41 0.00 0.00 60.65 58.79 3hx3 s ILE 238 Cb -0.01 -0.89 0.03 0.00 0.13 0.00 0.00 42.46 41.71 3hx3 s ILE 238 CO 0.03 0.31 -0.10 -1.00 -1.91 0.00 0.00 174.94 172.28 3hx3 s HIS 239 N 0.55 3.03 -0.18 3.50 3.76 0.16 -0.84 115.29 125.26 3hx3 s HIS 239 Ca -0.11 -1.67 -0.14 0.00 -0.15 0.00 0.00 55.06 52.99 3hx3 s HIS 239 Cb -0.14 -2.01 -0.04 0.00 1.11 0.00 0.00 32.58 31.50 3hx3 s HIS 239 CO 0.02 -0.76 0.32 -0.06 -0.85 0.00 0.00 174.74 173.41 3hx3 s PHE 240 N 1.29 3.42 0.07 1.40 0.08 0.27 -0.16 117.98 124.35 3hx3 s PHE 240 Ca 0.00 0.57 0.10 0.00 0.12 0.00 0.00 56.93 57.72 3hx3 s PHE 240 Cb -0.16 -2.41 -0.03 0.00 -0.57 0.00 0.00 43.02 39.85 3hx3 s PHE 240 CO -0.06 0.13 -0.26 0.96 -0.10 0.00 0.00 175.22 175.89 3hx3 s ILE 241 N 0.84 2.11 -1.72 0.64 -4.36 -0.32 -0.54 121.20 117.85 3hx3 s ILE 241 Ca 0.17 -1.49 0.00 0.00 -0.26 0.00 0.00 60.65 59.07 3hx3 s ILE 241 Cb -0.14 -1.83 0.00 0.00 1.25 0.00 0.00 42.46 41.74 3hx3 s ILE 241 CO 0.06 0.25 0.00 1.41 0.24 0.00 0.00 174.94 176.89 3hx3 n HIS 242 N 1.49 -0.22 -2.35 1.37 8.25 0.60 -1.01 115.22 123.35 3hx3 n HIS 242 Ca -0.17 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 56.89 3hx3 n HIS 242 Cb 0.52 -3.07 -0.03 0.00 1.12 0.00 0.00 29.99 28.53 3hx3 n HIS 242 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 3hx3 s GLN 243 N -3.83 4.37 0.89 -0.41 0.00 -1.26 -3.15 119.66 116.27 3hx3 s GLN 243 Ca 0.00 1.88 -0.13 0.00 -0.00 0.00 0.00 55.36 57.11 3hx3 s GLN 243 Cb 0.00 -2.97 0.13 0.00 0.00 0.00 0.00 33.01 30.17 3hx3 s GLN 243 CO 0.00 -0.05 1.19 -1.25 0.00 0.00 0.00 175.29 175.18 3hx3 s PRO 244 N -1.85 1.31 0.39 9.60 0.04 -1.26 -4.81 135.00 138.42 3hx3 s PRO 244 Ca 0.50 0.06 0.08 0.00 0.04 0.00 0.00 61.00 61.69 3hx3 s PRO 244 Cb -0.33 -1.88 0.84 0.00 0.04 0.00 0.00 34.50 33.17 3hx3 s PRO 244 CO 0.42 -2.04 1.97 0.11 0.04 0.00 0.00 177.00 177.51 3hx3 h TRP 245 N -1.38 0.65 0.00 0.56 5.08 -1.97 -1.50 115.95 117.39 3hx3 h TRP 245 Ca -0.47 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.52 3hx3 h TRP 245 Cb 1.31 -0.21 0.00 0.00 -3.00 0.00 0.00 29.16 27.26 3hx3 h TRP 245 CO -0.08 0.34 0.00 2.48 -1.28 0.00 0.00 178.44 179.90 3hx3 n TYR 246 N -4.48 0.00 0.20 0.12 0.18 -1.26 -2.94 117.16 108.98 3hx3 n TYR 246 Ca 0.10 0.00 0.13 0.00 1.88 0.00 0.00 57.90 60.01 3hx3 n TYR 246 Cb 0.26 0.00 0.73 0.00 -0.38 0.00 0.00 39.34 39.95 3hx3 n TYR 246 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 3hx3 h PHE 247 N 0.00 0.00 -0.78 -3.48 3.57 -1.63 -2.69 116.94 111.93 3hx3 h PHE 247 Ca 0.00 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.57 3hx3 h PHE 247 Cb 0.00 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 38.68 3hx3 h PHE 247 CO 0.00 0.00 0.46 1.15 -2.23 0.00 0.00 178.31 177.69 3hx3 h THR 248 N 0.00 0.98 -0.48 4.41 2.02 -1.75 0.91 112.91 119.01 3hx3 h THR 248 Ca 0.07 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 66.94 3hx3 h THR 248 Cb 0.30 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 3hx3 h THR 248 CO -0.00 0.15 0.18 0.74 0.37 0.00 0.00 175.52 176.96 3hx3 h THR 249 N 0.82 1.21 -0.24 3.16 2.02 -1.75 -0.38 112.91 117.76 3hx3 h THR 249 Ca 0.35 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.85 3hx3 h THR 249 Cb 0.22 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 3hx3 h THR 249 CO -0.19 0.25 0.15 0.74 0.37 0.00 0.00 175.52 176.84 3hx3 h THR 250 N 0.63 1.08 -0.40 3.16 2.02 -1.40 -2.20 112.91 115.80 3hx3 h THR 250 Ca 0.16 -0.17 0.03 0.00 0.77 0.00 0.00 66.41 67.19 3hx3 h THR 250 Cb 0.22 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 3hx3 h THR 250 CO -0.01 0.07 0.22 0.22 0.37 0.00 0.00 175.52 176.39 3hx3 h TYR 251 N 0.31 0.40 -0.26 3.16 3.20 -0.65 -2.57 116.97 120.56 3hx3 h TYR 251 Ca 0.09 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.98 3hx3 h TYR 251 Cb -0.01 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 3hx3 h TYR 251 CO -0.05 0.22 0.17 -0.91 -1.64 0.00 0.00 178.16 175.95 3hx3 h ASN 252 N 0.44 0.29 -0.60 -2.11 2.35 -0.85 -0.52 115.58 114.58 3hx3 h ASN 252 Ca 0.17 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.86 3hx3 h ASN 252 Cb 0.05 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 3hx3 h ASN 252 CO -0.10 0.21 0.21 0.58 -1.65 0.00 0.00 177.43 176.69 3hx3 h VAL 253 N 0.35 1.23 0.00 2.81 2.07 -0.98 -3.16 116.25 118.57 3hx3 h VAL 253 Ca 0.10 -0.78 -0.20 0.00 0.82 0.00 0.00 66.70 66.63 3hx3 h VAL 253 Cb -0.04 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 3hx3 h VAL 253 CO -0.02 0.31 -1.22 0.58 0.02 0.00 0.00 177.57 177.24 3hx3 h VAL 254 N 0.93 0.94 -0.91 2.57 2.07 -1.16 -3.39 116.25 117.29 3hx3 h VAL 254 Ca 0.21 -2.55 0.21 0.00 0.82 0.00 0.00 66.70 65.39 3hx3 h VAL 254 Cb 0.24 2.40 -0.12 0.00 -1.52 0.00 0.00 31.29 32.29 3hx3 h VAL 254 CO -0.01 0.53 0.44 0.50 0.02 0.00 0.00 177.57 179.05 3hx3 h LYS 255 N 0.00 0.46 0.00 1.57 3.64 -1.10 -0.55 116.57 120.59 3hx3 h LYS 255 Ca -0.13 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 3hx3 h LYS 255 Cb 1.70 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.42 3hx3 h LYS 255 CO 0.08 0.30 0.00 -1.35 -2.27 0.00 0.00 179.45 176.21 3hx3 h PRO 256 N 0.47 0.00 -0.01 1.90 0.11 -1.77 -2.37 132.00 130.34 3hx3 h PRO 256 Ca 0.56 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.67 3hx3 h PRO 256 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3hx3 h PRO 256 CO -0.49 0.00 -0.38 1.19 -0.21 0.00 0.00 178.00 178.10 3hx3 n PHE 257 N -3.03 0.00 -3.19 0.65 3.72 -0.22 -4.85 117.46 110.54 3hx3 n PHE 257 Ca -0.01 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.98 3hx3 n PHE 257 Cb 0.18 -0.06 -0.07 0.00 -0.94 0.00 0.00 39.48 38.59 3hx3 n PHE 257 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3hx3 s LEU 258 N -2.50 4.11 0.78 4.37 1.43 -0.89 -5.01 118.68 120.97 3hx3 s LEU 258 Ca 0.21 0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 53.66 3hx3 s LEU 258 Cb 0.19 -2.72 0.06 0.00 0.03 0.00 0.00 46.19 43.75 3hx3 s LEU 258 CO 0.55 -0.37 1.09 -0.54 0.23 0.00 0.00 176.35 177.31 3hx3 s LYS 259 N 2.43 2.20 0.25 1.70 1.02 -1.26 -4.76 119.74 121.32 3hx3 s LYS 259 Ca 0.23 1.07 -0.04 0.00 0.02 0.00 0.00 55.97 57.24 3hx3 s LYS 259 Cb -0.15 -1.90 0.34 0.00 -0.52 0.00 0.00 37.83 35.60 3hx3 s LYS 259 CO 0.10 -1.65 1.88 0.66 -0.92 0.00 0.00 175.35 175.42 3hx3 h SER 260 N -1.13 0.99 -0.94 2.83 4.64 -1.98 -0.70 113.55 117.27 3hx3 h SER 260 Ca -0.45 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.91 3hx3 h SER 260 Cb 1.24 -0.21 -0.05 0.00 -0.31 0.00 0.00 62.40 63.06 3hx3 h SER 260 CO 0.53 0.65 0.61 0.11 -0.87 0.00 0.00 176.83 177.87 3hx3 h LYS 261 N 1.14 1.16 -0.06 4.77 1.57 -2.00 -1.75 116.57 121.41 3hx3 h LYS 261 Ca 0.40 -0.07 -0.23 0.00 -1.87 0.00 0.00 60.65 58.87 3hx3 h LYS 261 Cb 0.09 -0.26 0.02 0.00 0.08 0.00 0.00 32.23 32.16 3hx3 h LYS 261 CO -0.15 0.77 -0.87 1.25 -0.57 0.00 0.00 179.45 179.88 3hx3 h LEU 262 N 1.20 0.87 -1.08 2.94 5.85 -1.72 -3.23 115.31 120.14 3hx3 h LEU 262 Ca 0.37 -0.70 0.12 0.00 0.84 0.00 0.00 57.88 58.51 3hx3 h LEU 262 Cb -0.02 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 40.66 3hx3 h LEU 262 CO -0.11 1.44 0.62 -0.07 -0.34 0.00 0.00 178.44 179.98 3hx3 h LEU 263 N 0.37 0.86 0.00 2.25 3.38 -0.83 0.48 115.31 121.82 3hx3 h LEU 263 Ca -0.09 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3hx3 h LEU 263 Cb 1.53 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.15 3hx3 h LEU 263 CO 0.18 0.46 0.00 -0.62 0.09 0.00 0.00 178.44 178.54 3hx3 n GLU 264 N -4.60 0.01 -0.23 1.13 1.02 -0.69 -2.11 120.64 115.17 3hx3 n GLU 264 Ca 0.18 0.33 0.10 0.00 -0.02 0.00 0.00 57.16 57.75 3hx3 n GLU 264 Cb 0.37 -1.50 0.22 0.00 -0.02 0.00 0.00 31.44 30.51 3hx3 n GLU 264 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hx3 n ARG 265 N -1.49 2.49 -3.88 3.49 1.74 0.16 -4.92 116.66 114.25 3hx3 n ARG 265 Ca 0.02 -2.26 -0.36 0.00 -0.77 0.00 0.00 57.85 54.49 3hx3 n ARG 265 Cb 0.11 -1.45 -0.11 0.00 -1.02 0.00 0.00 32.46 29.99 3hx3 n ARG 265 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hx3 s VAL 266 N -1.18 4.69 -0.05 1.55 1.01 -0.90 -0.89 120.40 124.63 3hx3 s VAL 266 Ca 0.36 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.33 3hx3 s VAL 266 Cb 0.20 -3.15 -0.00 0.00 0.00 0.00 0.00 36.38 33.43 3hx3 s VAL 266 CO 0.27 0.39 -0.17 -0.36 0.00 0.00 0.00 175.10 175.23 3hx3 s PHE 267 N 0.96 1.73 -0.15 5.22 0.08 -0.02 -4.98 117.98 120.82 3hx3 s PHE 267 Ca 0.04 -0.52 0.01 0.00 0.12 0.00 0.00 56.93 56.58 3hx3 s PHE 267 Cb -0.14 -1.17 0.02 0.00 -0.57 0.00 0.00 43.02 41.16 3hx3 s PHE 267 CO 0.03 -0.18 -0.16 0.08 -0.10 0.00 0.00 175.22 174.89 3hx3 s VAL 268 N 0.10 1.68 -0.06 -0.44 1.01 -1.26 -0.57 120.40 120.86 3hx3 s VAL 268 Ca -0.05 -0.71 0.11 0.00 0.00 0.00 0.00 61.98 61.33 3hx3 s VAL 268 Cb -0.12 -1.55 -0.17 0.00 0.00 0.00 0.00 36.38 34.54 3hx3 s VAL 268 CO 0.03 0.48 0.17 1.41 0.00 0.00 0.00 175.10 177.19 3hx3 n HIS 269 N 4.63 0.00 -1.67 5.22 8.25 0.30 -4.97 115.22 126.98 3hx3 n HIS 269 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 3hx3 n HIS 269 Cb 0.50 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 31.21 3hx3 n HIS 269 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hx3 n GLY 270 N 2.01 3.37 0.16 -1.41 0.00 -1.26 -3.07 105.19 104.99 3hx3 n GLY 270 Ca -0.09 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 45.85 3hx3 n GLY 270 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hx3 n ASP 271 N 3.51 1.13 -4.39 1.61 8.00 -1.26 -0.29 116.55 124.87 3hx3 n ASP 271 Ca 0.00 -0.93 -0.45 0.00 0.71 0.00 0.00 54.79 54.12 3hx3 n ASP 271 Cb 0.00 0.57 -0.04 0.00 -0.02 0.00 0.00 41.12 41.63 3hx3 n ASP 271 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hx3 s ASP 272 N -2.80 6.31 -0.02 -2.24 2.15 -1.18 -4.89 116.67 114.01 3hx3 s ASP 272 Ca 0.14 -1.63 0.12 0.00 0.43 0.00 0.00 52.55 51.61 3hx3 s ASP 272 Cb 0.17 -2.32 0.37 0.00 -0.30 0.00 0.00 42.92 40.84 3hx3 s ASP 272 CO 0.71 -1.08 1.28 0.18 -0.17 0.00 0.00 175.17 176.09 3hx3 n LEU 273 N 6.24 2.34 0.18 -1.34 4.77 -1.26 -4.40 117.00 123.52 3hx3 n LEU 273 Ca -0.01 -1.17 -0.14 0.00 -0.03 0.00 0.00 56.01 54.65 3hx3 n LEU 273 Cb 0.44 -0.31 -0.07 0.00 -2.33 0.00 0.00 43.42 41.15 3hx3 n LEU 273 CO 0.55 0.53 0.69 0.77 -1.33 0.00 0.00 177.39 178.59 3hx3 h SER 274 N 2.33 -0.73 -0.67 -1.43 4.64 -1.96 0.23 113.55 115.96 3hx3 h SER 274 Ca 0.00 0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 61.34 3hx3 h SER 274 Cb 0.64 0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.95 3hx3 h SER 274 CO 0.04 -0.39 0.23 1.23 -0.87 0.00 0.00 176.83 177.07 3hx3 h GLY 275 N -0.56 1.10 0.51 -0.77 0.00 -2.00 -2.78 103.07 98.56 3hx3 h GLY 275 Ca -0.01 -0.63 0.07 0.00 0.00 0.00 0.00 47.33 46.76 3hx3 h GLY 275 CO -0.06 0.59 0.17 -2.75 0.00 0.00 0.00 176.54 174.49 3hx3 h PHE 276 N 0.96 0.29 0.00 5.60 3.57 -1.71 -1.70 116.94 123.95 3hx3 h PHE 276 Ca 0.22 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 3hx3 h PHE 276 Cb 0.27 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 3hx3 h PHE 276 CO 0.02 0.09 -0.02 1.88 -2.23 0.00 0.00 178.31 178.05 3hx3 h TYR 277 N 0.34 0.00 0.00 0.41 0.05 -0.41 -0.03 116.97 117.33 3hx3 h TYR 277 Ca 0.24 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.95 3hx3 h TYR 277 Cb 0.26 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.99 3hx3 h TYR 277 CO -0.17 0.02 -0.34 1.96 -1.05 0.00 0.00 178.16 178.58 3hx3 h GLN 278 N 0.00 0.00 0.04 4.88 4.20 -1.05 -3.32 115.11 119.87 3hx3 h GLN 278 Ca -0.00 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.46 3hx3 h GLN 278 Cb 0.47 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 3hx3 h GLN 278 CO 0.00 0.34 -1.33 0.93 -0.67 0.00 0.00 178.83 178.09 3hx3 h GLU 279 N 0.00 0.09 -5.04 1.46 4.39 -0.88 -3.46 114.58 111.14 3hx3 h GLU 279 Ca -0.00 -0.15 -0.67 0.00 0.34 0.00 0.00 59.36 58.88 3hx3 h GLU 279 Cb 0.93 0.06 -0.35 0.00 -0.10 0.00 0.00 28.75 29.29 3hx3 h GLU 279 CO 0.04 1.07 -0.86 0.42 -1.16 0.00 0.00 179.01 178.53 3hx3 s ILE 280 N -2.41 2.04 -0.07 3.13 -1.09 -0.16 -4.47 121.20 118.19 3hx3 s ILE 280 Ca -0.26 -0.94 -0.34 0.00 -2.23 0.00 0.00 60.65 56.88 3hx3 s ILE 280 Cb 0.05 -1.85 -0.11 0.00 -1.58 0.00 0.00 42.46 38.96 3hx3 s ILE 280 CO 0.66 0.52 1.89 -0.67 -1.23 0.00 0.00 174.94 176.11 3hx3 n ASP 281 N 4.62 3.56 0.06 3.58 -0.08 -1.26 -4.29 116.55 122.74 3hx3 n ASP 281 Ca -0.21 0.96 0.19 0.00 -1.51 0.00 0.00 54.79 54.23 3hx3 n ASP 281 Cb 0.50 -1.40 0.72 0.00 2.34 0.00 0.00 41.12 43.28 3hx3 n ASP 281 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 3hx3 h GLU 282 N 9.36 0.00 -0.01 -0.67 4.81 -1.93 -1.21 114.58 124.94 3hx3 h GLU 282 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3hx3 h GLU 282 Cb 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 3hx3 h GLU 282 CO 0.95 0.00 -0.02 -1.71 -0.73 0.00 0.00 179.01 177.50 3hx3 n ASN 283 N -4.21 0.64 -0.50 1.04 5.15 -1.26 -2.33 115.26 113.79 3hx3 n ASN 283 Ca 0.07 -1.11 0.07 0.00 -0.60 0.00 0.00 54.58 53.02 3hx3 n ASN 283 Cb 0.53 -0.01 0.05 0.00 -0.53 0.00 0.00 39.78 39.82 3hx3 n ASN 283 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 3hx3 n ILE 284 N -0.56 0.00 -3.86 -1.44 -5.35 -0.46 -4.72 119.36 102.97 3hx3 n ILE 284 Ca 0.20 -0.47 -0.34 0.00 -0.27 0.00 0.00 62.75 61.87 3hx3 n ILE 284 Cb 0.23 1.26 -0.05 0.00 -1.74 0.00 0.00 39.64 39.34 3hx3 n ILE 284 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3hx3 s LEU 285 N -1.29 4.37 0.83 7.28 1.43 -1.08 -4.85 118.68 125.37 3hx3 s LEU 285 Ca 0.15 0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 53.57 3hx3 s LEU 285 Cb 0.11 -2.62 0.09 0.00 0.03 0.00 0.00 46.19 43.80 3hx3 s LEU 285 CO 0.20 0.26 1.12 -2.84 0.23 0.00 0.00 176.35 175.32 3hx3 s PRO 286 N -1.86 1.73 0.53 1.29 0.02 -1.26 -1.34 135.00 134.11 3hx3 s PRO 286 Ca 0.27 1.35 0.19 0.00 0.02 0.00 0.00 61.00 62.83 3hx3 s PRO 286 Cb -0.13 -1.82 1.35 0.00 0.02 0.00 0.00 34.50 33.92 3hx3 s PRO 286 CO 0.17 -2.06 2.15 0.66 -0.33 0.00 0.00 177.00 177.59 3hx3 h SER 287 N -1.40 0.00 -0.07 2.53 4.64 -1.00 -0.13 113.55 118.13 3hx3 h SER 287 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3hx3 h SER 287 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3hx3 h SER 287 CO 0.47 0.02 0.00 -0.90 -0.87 0.00 0.00 176.83 175.55 3hx3 n ASP 288 N -4.36 0.43 -0.41 4.97 5.75 -1.26 -2.46 116.55 119.21 3hx3 n ASP 288 Ca -0.03 -1.79 0.06 0.00 -0.01 0.00 0.00 54.79 53.02 3hx3 n ASP 288 Cb 0.11 -0.04 0.10 0.00 -1.03 0.00 0.00 41.12 40.26 3hx3 n ASP 288 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3hx3 n PHE 289 N -0.36 0.00 -0.63 2.11 3.72 -0.21 -4.97 117.46 117.12 3hx3 n PHE 289 Ca 0.08 -0.75 0.00 0.00 -0.05 0.00 0.00 57.45 56.72 3hx3 n PHE 289 Cb 0.09 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.50 3hx3 n PHE 289 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hx3 n GLY 290 N -0.81 0.69 1.90 1.37 0.00 -1.03 -4.87 105.19 102.46 3hx3 n GLY 290 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 3hx3 n GLY 290 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx3 n GLY 291 N -2.58 2.00 0.58 -0.02 0.00 -0.35 -4.95 105.19 99.86 3hx3 n GLY 291 Ca 0.00 -2.18 0.10 0.00 0.00 0.00 0.00 46.02 43.94 3hx3 n GLY 291 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hx3 n THR 292 N -1.59 0.00 -2.21 2.61 -2.24 -0.82 -3.68 114.28 106.35 3hx3 n THR 292 Ca 0.08 -0.38 -0.28 0.00 -2.27 0.00 0.00 64.05 61.20 3hx3 n THR 292 Cb 0.29 1.30 0.04 0.00 -2.10 0.00 0.00 70.33 69.87 3hx3 n THR 292 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hx3 s LEU 293 N -2.04 3.07 0.69 3.22 1.43 -0.45 -4.85 118.68 119.75 3hx3 s LEU 293 Ca 0.19 0.82 -0.17 0.00 -1.03 0.00 0.00 54.13 53.94 3hx3 s LEU 293 Cb 0.16 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.77 3hx3 s LEU 293 CO 0.40 -1.22 1.13 -2.65 0.23 0.00 0.00 176.35 174.24 3hx3 n PRO 294 N -2.76 0.75 -1.54 1.29 -0.02 -1.26 -0.72 135.00 130.74 3hx3 n PRO 294 Ca 0.06 0.32 -0.48 0.00 -2.02 0.00 0.00 63.50 61.37 3hx3 n PRO 294 Cb 0.58 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 3hx3 n PRO 294 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3hx3 n LYS 295 N -1.96 0.92 -1.77 -0.52 4.81 -1.26 -3.70 118.16 114.68 3hx3 n LYS 295 Ca 0.14 0.33 -0.42 0.00 -0.87 0.00 0.00 58.31 57.49 3hx3 n LYS 295 Cb 0.49 -1.69 -0.03 0.00 0.02 0.00 0.00 35.03 33.82 3hx3 n LYS 295 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 3hx3 s TYR 296 N -0.60 2.85 -0.19 5.64 5.04 -1.26 -4.91 117.35 123.92 3hx3 s TYR 296 Ca 0.68 0.36 0.01 0.00 -2.44 0.00 0.00 57.07 55.68 3hx3 s TYR 296 Cb -0.85 -4.10 0.04 0.00 0.35 0.00 0.00 41.96 37.41 3hx3 s TYR 296 CO 0.56 -4.18 -0.09 0.34 -1.34 0.00 0.00 175.55 170.83 3hx3 s ASP 297 N 1.35 3.31 0.40 4.32 2.15 -1.26 -5.01 116.67 121.93 3hx3 s ASP 297 Ca 0.74 -0.86 0.28 0.00 0.43 0.00 0.00 52.55 53.15 3hx3 s ASP 297 Cb -0.48 -1.17 1.40 0.00 -0.30 0.00 0.00 42.92 42.37 3hx3 s ASP 297 CO 0.32 -0.15 1.84 1.23 -0.17 0.00 0.00 175.17 178.24 3hx3 h GLY 298 N 8.00 0.00 1.01 2.66 0.00 -1.78 -3.15 103.07 109.81 3hx3 h GLY 298 Ca -0.27 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.07 3hx3 h GLY 298 CO 0.46 0.00 0.59 0.50 0.00 0.00 0.00 176.54 178.10 3hx3 h LYS 299 N 0.00 1.18 0.22 4.80 1.57 -1.81 -2.06 116.57 120.47 3hx3 h LYS 299 Ca 0.00 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3hx3 h LYS 299 Cb 0.12 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.17 3hx3 h LYS 299 CO 0.00 0.78 -0.10 0.00 -0.57 0.00 0.00 179.45 179.56 3hx3 h ALA 300 N 1.33 -0.29 -0.26 3.86 0.00 -1.95 -1.03 119.26 120.92 3hx3 h ALA 300 Ca 0.33 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.18 3hx3 h ALA 300 Cb -0.14 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 3hx3 h ALA 300 CO -0.07 -0.59 -0.08 0.28 0.00 0.00 0.00 179.25 178.78 3hx3 h VAL 301 N -0.43 0.69 -0.52 0.00 2.07 -1.75 -1.79 116.25 114.52 3hx3 h VAL 301 Ca -0.03 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.57 3hx3 h VAL 301 Cb 0.33 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 3hx3 h VAL 301 CO 0.05 0.00 0.16 0.00 0.02 0.00 0.00 177.57 177.80 3hx3 h ALA 302 N 1.22 0.63 -0.74 1.67 0.00 -1.17 -0.58 119.26 120.29 3hx3 h ALA 302 Ca 0.13 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3hx3 h ALA 302 Cb 0.23 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3hx3 h ALA 302 CO -0.29 -0.24 0.25 0.93 0.00 0.00 0.00 179.25 179.90 3hx3 h GLU 303 N 0.33 1.14 -0.72 0.00 5.08 -0.90 -0.99 114.58 118.52 3hx3 h GLU 303 Ca 0.26 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3hx3 h GLU 303 Cb 0.31 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 3hx3 h GLU 303 CO -0.28 0.96 0.35 0.37 -1.00 0.00 0.00 179.01 179.41 3hx3 h GLN 304 N 1.09 1.02 0.02 2.33 4.15 -0.44 -3.25 115.11 120.04 3hx3 h GLN 304 Ca 0.24 -0.14 -0.19 0.00 0.77 0.00 0.00 58.65 59.33 3hx3 h GLN 304 Cb 0.28 -0.19 0.02 0.00 0.21 0.00 0.00 27.48 27.80 3hx3 h GLN 304 CO -0.01 0.80 -0.75 -0.07 -1.93 0.00 0.00 178.83 176.86 3hx3 h LEU 305 N 1.00 0.63 -1.59 -2.39 3.38 -0.91 -3.51 115.31 111.91 3hx3 h LEU 305 Ca 0.25 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.44 3hx3 h LEU 305 Cb 0.10 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3hx3 h LEU 305 CO -0.03 1.33 0.00 0.49 0.09 0.00 0.00 178.44 180.31