#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3r h THR 9 N 0.00 1.27 -0.13 0.58 2.02 -2.09 -0.92 112.91 113.65 2h3r h THR 9 Ca 0.00 -1.34 -0.10 0.00 0.77 0.00 0.00 66.41 65.74 2h3r h THR 9 Cb 0.00 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 2h3r h THR 9 CO 0.00 0.44 -0.31 0.22 0.37 0.00 0.00 175.52 176.25 2h3r h TYR 10 N 0.65 0.55 -0.96 3.16 5.03 -2.09 -3.08 116.97 120.23 2h3r h TYR 10 Ca 0.09 -0.21 0.10 0.00 2.58 0.00 0.00 58.73 61.29 2h3r h TYR 10 Cb 0.74 -0.10 -0.08 0.00 1.55 0.00 0.00 36.73 38.84 2h3r h TYR 10 CO 0.04 0.93 0.60 0.93 -1.32 0.00 0.00 178.16 179.33 2h3r h GLU 11 N 0.02 0.97 -1.05 1.82 5.08 -2.03 -0.64 114.58 118.76 2h3r h GLU 11 Ca -0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2h3r h GLU 11 Cb 0.91 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2h3r h GLU 11 CO 0.07 0.64 0.00 0.39 -1.00 0.00 0.00 179.01 179.11 2h3r n GLU 12 N -4.61 0.19 0.00 2.33 -0.58 -0.36 -1.95 120.64 115.65 2h3r n GLU 12 Ca 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 2h3r n GLU 12 Cb 0.28 -1.26 0.00 0.00 -0.57 0.00 0.00 31.44 29.89 2h3r n GLU 12 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2h3r n VAL 14 N 0.67 0.00 0.12 2.62 0.31 -0.25 0.12 118.33 121.92 2h3r n VAL 14 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.11 2h3r n VAL 14 Cb 0.07 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 32.85 2h3r n VAL 14 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2h3r h LYS 15 N 0.00 0.44 -0.72 5.55 1.57 -1.65 -3.10 116.57 118.66 2h3r h LYS 15 Ca 0.00 -0.74 0.02 0.00 -1.87 0.00 0.00 60.65 58.06 2h3r h LYS 15 Cb 0.00 0.28 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 2h3r h LYS 15 CO 0.00 1.35 0.46 1.49 -0.57 0.00 0.00 179.45 182.17 2h3r h GLU 16 N 0.12 0.88 -0.40 3.15 4.57 0.61 0.31 114.58 123.82 2h3r h GLU 16 Ca -0.25 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 2h3r h GLU 16 Cb 2.11 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 30.48 2h3r h GLU 16 CO 0.23 0.58 0.25 0.28 -1.18 0.00 0.00 179.01 179.18 2h3r h VAL 17 N 0.91 1.12 -0.39 0.32 2.07 -1.79 0.22 116.25 118.70 2h3r h VAL 17 Ca 0.28 -0.24 -0.12 0.00 0.82 0.00 0.00 66.70 67.44 2h3r h VAL 17 Cb -0.02 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 2h3r h VAL 17 CO -0.09 0.11 -0.23 -0.08 0.02 0.00 0.00 177.57 177.30 2h3r h GLU 18 N 0.53 0.84 0.24 1.57 4.57 -1.37 -0.17 114.58 120.79 2h3r h GLU 18 Ca 0.14 -0.39 -0.01 0.00 -1.18 0.00 0.00 59.36 57.93 2h3r h GLU 18 Cb -0.03 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 2h3r h GLU 18 CO -0.03 1.02 -0.11 -0.09 -1.18 0.00 0.00 179.01 178.62 2h3r h ARG 19 N 0.65 -0.31 -0.38 1.92 2.43 -0.10 -1.36 114.38 117.23 2h3r h ARG 19 Ca 0.08 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 2h3r h ARG 19 Cb 0.79 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 2h3r h ARG 19 CO 0.07 -0.16 0.14 -0.07 -1.51 0.00 0.00 179.97 178.43 2h3r h LEU 20 N -0.38 0.49 -1.34 3.80 3.38 -0.56 -1.13 115.31 119.58 2h3r h LEU 20 Ca -0.03 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 2h3r h LEU 20 Cb 0.29 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2h3r h LEU 20 CO 0.05 0.46 -0.32 0.11 0.09 0.00 0.00 178.44 178.83 2h3r h LYS 21 N 0.54 0.00 0.01 1.13 1.57 -0.62 0.27 116.57 119.47 2h3r h LYS 21 Ca 0.13 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.76 2h3r h LYS 21 Cb 0.13 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.45 2h3r h LYS 21 CO -0.01 0.32 -0.60 -0.07 -0.57 0.00 0.00 179.45 178.52 2h3r h LEU 22 N 0.00 0.51 0.52 2.94 4.07 -0.26 -2.98 115.31 120.11 2h3r h LEU 22 Ca -0.00 -0.78 -0.03 0.00 0.08 0.00 0.00 57.88 57.16 2h3r h LEU 22 Cb 0.61 -0.16 0.01 0.00 1.08 0.00 0.00 40.66 42.20 2h3r h LEU 22 CO 0.04 1.22 -0.25 -0.08 -1.08 0.00 0.00 178.44 178.29 2h3r h GLU 23 N -0.15 -0.67 -0.85 1.13 4.81 -0.95 -2.93 114.58 114.97 2h3r h GLU 23 Ca -0.08 0.05 0.16 0.00 -0.13 0.00 0.00 59.36 59.36 2h3r h GLU 23 Cb 1.32 0.15 -0.16 0.00 0.63 0.00 0.00 28.75 30.69 2h3r h GLU 23 CO 0.12 -0.37 -0.24 -0.91 -0.73 0.00 0.00 179.01 176.87 2h3r h ASN 24 N -0.88 -0.89 0.09 1.04 4.21 -0.59 -0.01 115.58 118.55 2h3r h ASN 24 Ca -0.07 0.26 0.01 0.00 1.21 0.00 0.00 56.30 57.71 2h3r h ASN 24 Cb 0.60 0.56 -0.02 0.00 -1.12 0.00 0.00 38.32 38.33 2h3r h ASN 24 CO 0.12 -0.29 -0.17 0.50 -1.29 0.00 0.00 177.43 176.30 2h3r h LYS 25 N -0.01 -0.31 -0.81 0.81 3.64 -1.50 0.19 116.57 118.58 2h3r h LYS 25 Ca 0.39 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.83 2h3r h LYS 25 Cb 0.62 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.46 2h3r h LYS 25 CO -0.88 -0.21 0.52 1.15 -2.27 0.00 0.00 179.45 177.76 2h3r h THR 26 N -0.32 1.12 -0.87 1.00 2.02 -0.99 0.97 112.91 115.84 2h3r h THR 26 Ca 0.03 -0.35 0.01 0.00 0.77 0.00 0.00 66.41 66.87 2h3r h THR 26 Cb 0.35 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 66.74 2h3r h THR 26 CO -0.10 0.18 0.58 -0.07 0.37 0.00 0.00 175.52 176.48 2h3r h LEU 27 N 1.01 1.00 -1.10 2.58 4.07 -0.59 -0.29 115.31 121.98 2h3r h LEU 27 Ca 0.32 -0.02 -0.04 0.00 0.08 0.00 0.00 57.88 58.22 2h3r h LEU 27 Cb 0.01 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 41.48 2h3r h LEU 27 CO -0.11 0.72 0.18 0.11 -1.08 0.00 0.00 178.44 178.25 2h3r h LYS 28 N 1.18 0.82 -0.03 1.13 1.57 0.85 -2.24 116.57 119.84 2h3r h LYS 28 Ca 0.32 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 2h3r h LYS 28 Cb -0.12 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.05 2h3r h LYS 28 CO -0.07 0.70 -0.01 0.37 -0.57 0.00 0.00 179.45 179.87 2h3r h GLN 29 N 0.80 0.05 -0.14 3.15 4.15 0.49 -2.54 115.11 121.08 2h3r h GLN 29 Ca 0.18 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.61 2h3r h GLN 29 Cb 0.22 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 2h3r h GLN 29 CO -0.01 0.39 0.09 0.87 -1.93 0.00 0.00 178.83 178.25 2h3r h LYS 30 N -0.29 0.06 0.00 1.69 1.57 -1.02 0.11 116.57 118.69 2h3r h LYS 30 Ca 0.01 -0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 2h3r h LYS 30 Cb 0.37 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 2h3r h LYS 30 CO 0.00 0.04 -0.39 0.28 -0.57 0.00 0.00 179.45 178.81 2h3r h VAL 31 N 0.06 1.16 -0.05 0.50 2.07 -1.12 -2.11 116.25 116.76 2h3r h VAL 31 Ca 0.06 -1.40 -0.12 0.00 0.82 0.00 0.00 66.70 66.07 2h3r h VAL 31 Cb 0.17 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2h3r h VAL 31 CO -0.01 0.38 -0.50 0.07 0.02 0.00 0.00 177.57 177.54 2h3r h LYS 32 N 0.00 0.12 -2.99 1.57 2.10 -0.37 -3.24 116.57 113.76 2h3r h LYS 32 Ca -0.00 -0.07 -0.62 0.00 -2.00 0.00 0.00 60.65 57.95 2h3r h LYS 32 Cb 0.75 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.11 2h3r h LYS 32 CO 0.05 0.60 3.57 0.43 -2.00 0.00 0.00 179.45 182.10 2h3r n SER 33 N -3.95 8.30 0.00 7.07 7.64 -0.79 -5.13 113.62 126.76 2h3r n SER 33 Ca -0.02 -2.54 0.00 0.00 1.01 0.00 0.00 58.87 57.32 2h3r n SER 33 Cb 0.53 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.22 2h3r n SER 33 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2h3r n SER 34 N 3.58 0.00 -4.45 6.43 3.41 -1.23 -5.00 113.62 116.37 2h3r n SER 34 Ca 0.74 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 59.04 2h3r n SER 34 Cb 0.25 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.07 2h3r n SER 34 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2h3r s SER 42 N 0.00 3.78 0.08 4.04 0.01 -1.26 -5.12 113.70 115.23 2h3r s SER 42 Ca 0.00 -0.36 -0.37 0.00 1.31 0.00 0.00 55.95 56.53 2h3r s SER 42 Cb 0.00 -0.65 -0.17 0.00 0.21 0.00 0.00 66.02 65.41 2h3r s SER 42 CO 0.00 0.29 1.26 -0.38 0.41 0.00 0.00 173.24 174.82 2h3r n ILE 43 N 1.87 0.11 -2.81 1.44 5.41 -1.26 -4.91 119.36 119.21 2h3r n ILE 43 Ca -0.16 -0.03 -0.41 0.00 1.00 0.00 0.00 62.75 63.15 2h3r n ILE 43 Cb 0.52 -0.64 -0.04 0.00 -0.71 0.00 0.00 39.64 38.77 2h3r n ILE 43 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 2h3r s LEU 44 N 0.43 4.44 0.33 1.39 2.96 -1.26 -5.06 118.68 121.91 2h3r s LEU 44 Ca 0.85 1.63 -0.06 0.00 -0.22 0.00 0.00 54.13 56.33 2h3r s LEU 44 Cb -1.01 -3.46 -0.05 0.00 0.50 0.00 0.00 46.19 42.17 2h3r s LEU 44 CO 0.50 -0.09 0.61 0.42 -1.32 0.00 0.00 176.35 176.47 2h3r s THR 45 N 0.27 4.97 0.04 3.68 -4.23 -1.26 -4.94 115.64 114.17 2h3r s THR 45 Ca 0.45 0.14 -0.09 0.00 -1.18 0.00 0.00 61.69 61.01 2h3r s THR 45 Cb -0.22 -3.75 -0.03 0.00 1.34 0.00 0.00 72.50 69.84 2h3r s THR 45 CO 0.27 -0.42 1.15 0.00 -0.54 0.00 0.00 174.62 175.08 2h3r h ALA 46 N 1.42 -0.42 0.00 3.99 0.00 -2.01 -1.45 119.26 120.79 2h3r h ALA 46 Ca -0.48 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 2h3r h ALA 46 Cb 1.19 0.83 -0.00 0.00 0.00 0.00 0.00 17.79 19.81 2h3r h ALA 46 CO 0.65 -0.50 -0.11 0.00 0.00 0.00 0.00 179.25 179.30 2h3r h ALA 47 N -0.95 1.47 0.26 0.00 0.00 -1.99 -2.76 119.26 115.29 2h3r h ALA 47 Ca 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2h3r h ALA 47 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2h3r h ALA 47 CO -0.16 0.13 -0.13 -0.22 0.00 0.00 0.00 179.25 178.87 2h3r h LYS 48 N 0.00 -0.34 -0.54 0.00 1.63 -1.75 -2.37 116.57 113.20 2h3r h LYS 48 Ca -0.00 0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.87 2h3r h LYS 48 Cb 0.24 0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 31.91 2h3r h LYS 48 CO 0.01 -0.11 0.28 -0.09 -3.45 0.00 0.00 179.45 176.09 2h3r h ARG 49 N -0.52 0.53 -0.91 1.90 2.43 -1.06 -1.95 114.38 114.80 2h3r h ARG 49 Ca -0.04 -0.03 0.18 0.00 -0.81 0.00 0.00 59.98 59.28 2h3r h ARG 49 Cb 0.38 -0.12 -0.11 0.00 -0.42 0.00 0.00 29.97 29.71 2h3r h ARG 49 CO 0.06 0.35 0.49 1.49 -1.51 0.00 0.00 179.97 180.85 2h3r h GLU 50 N 0.54 0.59 -0.22 0.20 4.57 -1.39 0.37 114.58 119.25 2h3r h GLU 50 Ca 0.24 -0.04 -0.15 0.00 -1.18 0.00 0.00 59.36 58.23 2h3r h GLU 50 Cb 0.13 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2h3r h GLU 50 CO -0.16 0.39 -0.48 1.03 -1.18 0.00 0.00 179.01 178.61 2h3r h SER 51 N 0.61 0.64 -0.05 1.04 0.87 -0.82 -1.60 113.55 114.23 2h3r h SER 51 Ca 0.53 -0.32 -0.16 0.00 -1.23 0.00 0.00 61.79 60.61 2h3r h SER 51 Cb 0.86 -0.18 0.01 0.00 -0.44 0.00 0.00 62.40 62.64 2h3r h SER 51 CO -0.41 1.02 -0.58 0.40 -0.53 0.00 0.00 176.83 176.73 2h3r h ILE 52 N 0.47 1.38 0.02 2.23 2.04 -0.92 -2.70 117.51 120.03 2h3r h ILE 52 Ca 0.02 -1.96 0.01 0.00 1.00 0.00 0.00 64.86 63.93 2h3r h ILE 52 Cb 1.02 2.37 -0.01 0.00 -0.74 0.00 0.00 36.82 39.46 2h3r h ILE 52 CO 0.09 0.58 -0.04 0.40 0.00 0.00 0.00 178.15 179.18 2h3r h ILE 53 N 0.05 0.89 -0.32 -0.67 1.08 -1.00 0.60 117.51 118.13 2h3r h ILE 53 Ca -0.06 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.39 2h3r h ILE 53 Cb 1.26 0.89 -0.02 0.00 -3.07 0.00 0.00 36.82 35.88 2h3r h ILE 53 CO 0.12 0.00 0.10 0.58 -0.69 0.00 0.00 178.15 178.26 2h3r h VAL 54 N -0.09 1.14 0.23 1.67 2.07 -1.38 0.46 116.25 120.35 2h3r h VAL 54 Ca 0.01 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 2h3r h VAL 54 Cb 0.10 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2h3r h VAL 54 CO -0.03 0.18 -0.11 -1.28 0.02 0.00 0.00 177.57 176.35 2h3r h SER 55 N 0.46 -0.26 -0.61 0.57 0.87 -1.09 -2.18 113.55 111.31 2h3r h SER 55 Ca 0.11 -0.26 0.04 0.00 -1.23 0.00 0.00 61.79 60.45 2h3r h SER 55 Cb 0.15 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.13 2h3r h SER 55 CO -0.01 0.24 0.35 0.28 -0.53 0.00 0.00 176.83 177.16 2h3r h SER 56 N -0.88 0.55 -0.92 6.23 0.02 0.43 -2.34 113.55 116.63 2h3r h SER 56 Ca -0.03 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2h3r h SER 56 Cb 0.51 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 2h3r h SER 56 CO 0.05 0.37 0.56 0.28 -1.14 0.00 0.00 176.83 176.95 2h3r h SER 57 N 0.68 1.10 -0.35 3.07 0.02 -0.14 -1.88 113.55 116.04 2h3r h SER 57 Ca 0.26 -0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 61.06 2h3r h SER 57 Cb 0.09 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 2h3r h SER 57 CO -0.14 0.84 -0.06 0.03 -1.14 0.00 0.00 176.83 176.36 2h3r h ARG 58 N 1.27 0.76 0.24 3.45 3.08 -0.92 0.10 114.38 122.37 2h3r h ARG 58 Ca 0.33 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 2h3r h ARG 58 Cb -0.06 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 29.91 2h3r h ARG 58 CO -0.06 0.81 -0.12 0.00 -1.07 0.00 0.00 179.97 179.53 2h3r h ALA 59 N 1.23 -0.33 -0.81 0.04 0.00 -0.99 0.69 119.26 119.09 2h3r h ALA 59 Ca 0.13 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.00 2h3r h ALA 59 Cb 0.52 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 2h3r h ALA 59 CO 0.03 -0.60 0.53 -0.07 0.00 0.00 0.00 179.25 179.14 2h3r h LEU 60 N -0.49 0.69 0.46 0.00 3.38 -1.14 -1.23 115.31 116.97 2h3r h LEU 60 Ca -0.03 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2h3r h LEU 60 Cb 0.37 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2h3r h LEU 60 CO 0.06 0.41 -0.22 1.23 0.09 0.00 0.00 178.44 180.00 2h3r h GLY 61 N 0.76 -0.64 0.30 0.83 0.00 -0.26 -0.60 103.07 103.46 2h3r h GLY 61 Ca 0.37 0.24 0.25 0.00 0.00 0.00 0.00 47.33 48.19 2h3r h GLY 61 CO -0.15 -0.23 0.61 0.00 0.00 0.00 0.00 176.54 176.77 2h3r h ALA 62 N -0.07 2.81 0.02 3.60 0.00 0.27 -0.03 119.26 125.87 2h3r h ALA 62 Ca -0.06 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 2h3r h ALA 62 Cb 0.47 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.34 2h3r h ALA 62 CO 0.10 -1.05 -0.56 0.28 0.00 0.00 0.00 179.25 178.02 2h3r h VAL 63 N 0.00 1.47 0.00 0.00 2.07 -0.53 -2.54 116.25 116.72 2h3r h VAL 63 Ca 0.40 -2.14 0.00 0.00 0.82 0.00 0.00 66.70 65.79 2h3r h VAL 63 Cb 1.63 2.74 0.00 0.00 -1.52 0.00 0.00 31.29 34.14 2h3r h VAL 63 CO -0.00 0.61 0.00 0.00 0.02 0.00 0.00 177.57 178.20 2h3r n ALA 64 N -2.59 1.50 0.00 1.67 0.00 -0.02 -2.45 120.51 118.62 2h3r n ALA 64 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2h3r n ALA 64 Cb 0.66 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 19.04 2h3r n ALA 64 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2h3r n ARG 66 N 1.08 0.00 0.14 0.00 0.63 -0.96 -1.82 116.66 115.72 2h3r n ARG 66 Ca 0.00 0.00 0.08 0.00 -0.92 0.00 0.00 57.85 57.01 2h3r n ARG 66 Cb 0.00 0.00 0.05 0.00 0.45 0.00 0.00 32.46 32.96 2h3r n ARG 66 CO 0.00 0.00 0.00 1.57 -2.51 0.00 0.00 177.63 176.69 2h3r h LYS 67 N 0.00 0.00 -0.04 -0.14 2.10 -1.79 -3.20 116.57 113.50 2h3r h LYS 67 Ca 0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2h3r h LYS 67 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2h3r h LYS 67 CO 0.00 0.13 0.01 0.82 -2.00 0.00 0.00 179.45 178.41 2h3r h ILE 68 N 0.00 1.20 -0.34 0.07 2.04 -1.63 -0.23 117.51 118.62 2h3r h ILE 68 Ca -0.03 -0.61 0.10 0.00 1.00 0.00 0.00 64.86 65.32 2h3r h ILE 68 Cb 1.16 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 2h3r h ILE 68 CO 0.02 0.17 0.26 -0.08 0.00 0.00 0.00 178.15 178.51 2h3r h GLU 69 N -0.18 0.00 -0.20 2.37 4.81 -1.83 0.43 114.58 119.99 2h3r h GLU 69 Ca 0.01 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.10 2h3r h GLU 69 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2h3r h GLU 69 CO 0.00 0.00 -0.42 0.00 -0.73 0.00 0.00 179.01 177.86 2h3r h ALA 70 N 1.81 0.32 -0.21 2.92 0.00 -1.33 -1.81 119.26 120.97 2h3r h ALA 70 Ca 0.16 -0.46 -0.17 0.00 0.00 0.00 0.00 54.91 54.44 2h3r h ALA 70 Cb 0.68 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2h3r h ALA 70 CO -0.00 0.44 -0.57 0.87 0.00 0.00 0.00 179.25 179.99 2h3r h LYS 71 N 0.33 0.64 0.16 0.00 1.57 0.54 -2.25 116.57 117.56 2h3r h LYS 71 Ca 0.00 -0.42 -0.01 0.00 -1.87 0.00 0.00 60.65 58.36 2h3r h LYS 71 Cb 1.03 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.39 2h3r h LYS 71 CO 0.09 1.03 -0.08 0.28 -0.57 0.00 0.00 179.45 180.21 2h3r h VAL 72 N 0.49 0.97 -0.69 0.50 2.07 -1.03 -0.95 116.25 117.61 2h3r h VAL 72 Ca 0.01 -0.73 0.07 0.00 0.82 0.00 0.00 66.70 66.87 2h3r h VAL 72 Cb 1.13 1.41 -0.06 0.00 -1.52 0.00 0.00 31.29 32.25 2h3r h VAL 72 CO 0.11 0.17 0.37 -0.09 0.02 0.00 0.00 177.57 178.15 2h3r h ARG 73 N -0.57 0.65 -0.14 1.57 2.43 -1.38 0.24 114.38 117.19 2h3r h ARG 73 Ca -0.02 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.05 2h3r h ARG 73 Cb 0.44 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 2h3r h ARG 73 CO 0.04 0.43 -0.17 1.03 -1.51 0.00 0.00 179.97 179.78 2h3r h SER 74 N 0.67 0.22 0.44 -3.80 0.87 -1.38 -2.02 113.55 108.55 2h3r h SER 74 Ca 0.32 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 2h3r h SER 74 Cb 0.24 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 2h3r h SER 74 CO -0.21 0.41 -0.19 0.54 -0.53 0.00 0.00 176.83 176.85 2h3r n ARG 75 N -4.24 0.51 -0.67 2.24 1.74 -0.16 -2.79 116.66 113.30 2h3r n ARG 75 Ca -0.01 -0.21 -0.03 0.00 -0.77 0.00 0.00 57.85 56.82 2h3r n ARG 75 Cb 0.30 -1.50 0.21 0.00 -1.02 0.00 0.00 32.46 30.45 2h3r n ARG 75 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2h3r n ALA 76 N -1.06 3.84 -0.30 7.54 0.00 -0.11 -4.65 120.51 125.78 2h3r n ALA 76 Ca 0.12 -1.49 0.00 0.00 0.00 0.00 0.00 53.44 52.06 2h3r n ALA 76 Cb 0.31 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.59 2h3r n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h3r n ALA 77 N 0.02 -0.11 0.00 0.00 0.00 -1.12 -3.54 120.51 115.76 2h3r n ALA 77 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2h3r n ALA 77 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.47 2h3r n ALA 77 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2h3r n LYS 78 N -1.55 0.00 -2.73 0.00 5.02 -1.26 -4.63 118.16 113.02 2h3r n LYS 78 Ca 0.00 0.36 -0.43 0.00 -2.02 0.00 0.00 58.31 56.22 2h3r n LYS 78 Cb 0.00 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 33.45 2h3r n LYS 78 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2h3r s ALA 79 N -2.70 3.62 0.00 7.82 0.00 -1.23 -4.84 121.76 124.43 2h3r s ALA 79 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.10 2h3r s ALA 79 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.67 2h3r s ALA 79 CO 0.00 -0.92 0.00 1.33 0.00 0.00 0.00 175.76 176.17 2h3r n VAL 80 N 5.14 0.00 -4.30 0.00 0.24 -1.26 -5.02 118.33 113.13 2h3r n VAL 80 Ca 0.10 -0.02 -0.24 0.00 -2.04 0.00 0.00 64.34 62.13 2h3r n VAL 80 Cb 0.47 0.26 -0.08 0.00 -1.47 0.00 0.00 33.84 33.02 2h3r n VAL 80 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2h3r s THR 81 N -0.65 2.64 0.17 3.34 -4.23 -1.26 -5.06 115.64 110.60 2h3r s THR 81 Ca 0.00 -1.91 0.07 0.00 -1.18 0.00 0.00 61.69 58.67 2h3r s THR 81 Cb 0.00 -2.84 -0.14 0.00 1.34 0.00 0.00 72.50 70.85 2h3r s THR 81 CO 0.00 -0.18 1.40 -0.33 -0.54 0.00 0.00 174.62 174.97 2h3r h GLU 82 N 1.74 0.03 0.02 3.99 5.08 -1.99 -3.01 114.58 120.44 2h3r h GLU 82 Ca -0.43 -0.03 -0.23 0.00 -1.00 0.00 0.00 59.36 57.67 2h3r h GLU 82 Cb 1.25 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2h3r h GLU 82 CO 0.67 0.87 -0.98 1.96 -1.00 0.00 0.00 179.01 180.53 2h3r h GLN 83 N 0.01 0.39 -0.66 2.33 4.20 -1.98 -1.97 115.11 117.43 2h3r h GLN 83 Ca -0.01 -0.44 -0.02 0.00 0.06 0.00 0.00 58.65 58.23 2h3r h GLN 83 Cb 1.52 0.13 -0.03 0.00 0.30 0.00 0.00 27.48 29.40 2h3r h GLN 83 CO 0.12 1.12 0.32 1.49 -0.67 0.00 0.00 178.83 181.21 2h3r h GLU 84 N 0.20 0.93 0.00 1.46 4.81 -1.98 0.26 114.58 120.26 2h3r h GLU 84 Ca -0.09 -0.12 -0.10 0.00 -0.13 0.00 0.00 59.36 58.93 2h3r h GLU 84 Cb 1.63 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.82 2h3r h GLU 84 CO 0.17 0.71 -0.58 1.25 -0.73 0.00 0.00 179.01 179.83 2h3r h LEU 85 N 0.93 0.00 -0.01 1.64 5.85 -1.52 -2.08 115.31 120.11 2h3r h LEU 85 Ca 0.23 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 2h3r h LEU 85 Cb 0.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2h3r h LEU 85 CO -0.03 0.45 -0.05 0.74 -0.34 0.00 0.00 178.44 179.21 2h3r h THR 86 N 0.00 1.50 0.10 1.05 2.02 -0.54 -0.79 112.91 116.24 2h3r h THR 86 Ca -0.02 -1.53 0.02 0.00 0.77 0.00 0.00 66.41 65.65 2h3r h THR 86 Cb 1.36 2.50 -0.04 0.00 -1.74 0.00 0.00 68.15 70.23 2h3r h THR 86 CO 0.05 0.40 -0.31 -1.28 0.37 0.00 0.00 175.52 174.76 2h3r h SER 87 N -0.56 -0.91 -0.75 4.18 0.87 -0.56 -2.00 113.55 113.83 2h3r h SER 87 Ca -0.00 0.11 0.13 0.00 -1.23 0.00 0.00 61.79 60.79 2h3r h SER 87 Cb 0.69 0.35 -0.09 0.00 -0.44 0.00 0.00 62.40 62.91 2h3r h SER 87 CO 0.01 -0.40 0.33 0.25 -0.53 0.00 0.00 176.83 176.49 2h3r h LEU 88 N -0.52 0.35 -0.22 2.23 6.46 -1.39 -1.71 115.31 120.51 2h3r h LEU 88 Ca 0.04 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 2h3r h LEU 88 Cb 0.56 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.54 2h3r h LEU 88 CO -0.20 0.16 -0.01 0.18 -0.62 0.00 0.00 178.44 177.95 2h3r n LEU 89 N -4.95 0.35 0.07 2.25 4.77 -0.31 -3.37 117.00 115.81 2h3r n LEU 89 Ca 0.13 -0.08 -0.12 0.00 -0.03 0.00 0.00 56.01 55.92 2h3r n LEU 89 Cb 0.37 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.37 2h3r n LEU 89 CO 0.20 0.06 0.77 -0.61 -1.33 0.00 0.00 177.39 176.48 2h3r h GLN 90 N 0.53 -0.26 0.00 3.23 -0.00 -0.55 -3.34 115.11 114.72 2h3r h GLN 90 Ca 0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.65 2h3r h GLN 90 Cb 0.16 0.06 -0.03 0.00 0.00 0.00 0.00 27.48 27.67 2h3r h GLN 90 CO 0.00 -0.17 -0.38 -1.13 0.00 0.00 0.00 178.83 177.15 2h3r n SER 91 N -5.28 0.93 -4.52 -0.69 3.41 -1.26 -5.10 113.62 101.13 2h3r n SER 91 Ca -0.06 -2.45 -0.50 0.00 -0.26 0.00 0.00 58.87 55.61 2h3r n SER 91 Cb 0.19 -0.30 -0.04 0.00 -0.26 0.00 0.00 64.21 63.81 2h3r n SER 91 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2h3r n LEU 92 N -0.49 0.59 -4.16 1.04 7.94 -1.22 -4.98 117.00 115.73 2h3r n LEU 92 Ca 0.07 1.15 -0.20 0.00 -1.11 0.00 0.00 56.01 55.91 2h3r n LEU 92 Cb 0.71 -1.11 -0.13 0.00 0.53 0.00 0.00 43.42 43.42 2h3r n LEU 92 CO -0.00 -1.86 -0.47 -0.89 -1.11 0.00 0.00 177.39 173.06 2h3r s THR 93 N -0.51 1.16 0.01 1.96 2.01 -1.26 -5.08 115.64 113.93 2h3r s THR 93 Ca 0.71 -1.10 0.02 0.00 0.31 0.00 0.00 61.69 61.62 2h3r s THR 93 Cb -0.91 -1.06 -0.01 0.00 0.01 0.00 0.00 72.50 70.52 2h3r s THR 93 CO 0.55 -0.05 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.62 2h3r s LEU 94 N -1.32 2.09 -0.21 4.42 1.43 -1.26 -5.12 118.68 118.71 2h3r s LEU 94 Ca 0.01 -0.23 -0.10 0.00 -1.03 0.00 0.00 54.13 52.78 2h3r s LEU 94 Cb -0.08 -0.20 -0.05 0.00 0.03 0.00 0.00 46.19 45.89 2h3r s LEU 94 CO 0.02 -0.03 0.13 -0.60 0.23 0.00 0.00 176.35 176.09 2h3r s ARG 95 N -0.58 4.14 -0.02 1.70 3.52 -1.26 -5.08 118.95 121.37 2h3r s ARG 95 Ca -0.02 -0.25 0.01 0.00 -0.13 0.00 0.00 55.73 55.34 2h3r s ARG 95 Cb -0.04 -3.42 0.02 0.00 -1.56 0.00 0.00 34.95 29.94 2h3r s ARG 95 CO -0.00 0.24 -0.02 0.54 -0.81 0.00 0.00 175.30 175.25 2h3r s VAL 96 N 0.51 0.27 -0.14 7.11 0.11 -1.26 -5.08 120.40 121.93 2h3r s VAL 96 Ca 0.07 -0.03 -0.01 0.00 -2.93 0.00 0.00 61.98 59.09 2h3r s VAL 96 Cb -0.12 -0.31 -0.02 0.00 -1.53 0.00 0.00 36.38 34.41 2h3r s VAL 96 CO -0.00 0.13 -0.12 -1.81 -3.33 0.00 0.00 175.10 169.97 2h3r s ASP 97 N 0.61 4.07 -0.04 3.54 1.01 -1.26 -5.11 116.67 119.49 2h3r s ASP 97 Ca -0.06 -0.32 0.03 0.00 0.71 0.00 0.00 52.55 52.90 2h3r s ASP 97 Cb -0.10 -1.63 0.01 0.00 1.01 0.00 0.00 42.92 42.21 2h3r s ASP 97 CO -0.01 0.16 -0.11 0.68 0.21 0.00 0.00 175.17 176.10 2h3r s VAL 98 N 0.40 0.95 0.00 -1.27 -7.23 -1.26 -4.92 120.40 107.07 2h3r s VAL 98 Ca -0.10 -0.42 0.00 0.00 -1.81 0.00 0.00 61.98 59.65 2h3r s VAL 98 Cb -0.16 -0.86 0.00 0.00 0.56 0.00 0.00 36.38 35.93 2h3r s VAL 98 CO 0.05 0.30 0.00 -0.24 -0.31 0.00 0.00 175.10 174.90 2h3r n SER 99 N 3.50 0.00 0.00 4.85 2.88 -1.26 -5.08 113.62 118.51 2h3r n SER 99 Ca -0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 2h3r n SER 99 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 2h3r n SER 99 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2h3r n GLU 101 N 0.00 0.00 0.00 -1.46 1.02 -1.26 -5.03 120.64 113.91 2h3r n GLU 101 Ca 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.27 2h3r n GLU 101 Cb 0.00 -1.03 0.41 0.00 -0.02 0.00 0.00 31.44 30.80 2h3r n GLU 101 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70