#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f0r s SER 4 N 0.00 5.66 0.31 4.52 1.04 -1.26 -4.86 113.70 119.11 2f0r s SER 4 Ca 0.00 2.32 0.08 0.00 0.48 0.00 0.00 55.95 58.83 2f0r s SER 4 Cb 0.00 -2.60 0.84 0.00 0.10 0.00 0.00 66.02 64.37 2f0r s SER 4 CO 0.00 -1.27 1.70 -0.08 0.98 0.00 0.00 173.24 174.57 2f0r h GLU 5 N 1.37 0.43 -0.17 4.02 4.81 -1.98 0.20 114.58 123.27 2f0r h GLU 5 Ca -0.50 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 58.56 2f0r h GLU 5 Cb 1.27 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 2f0r h GLU 5 CO 0.57 0.29 -0.50 0.66 -0.73 0.00 0.00 179.01 179.30 2f0r h SER 6 N 0.45 0.49 0.21 1.04 4.64 -1.99 0.94 113.55 119.32 2f0r h SER 6 Ca 0.62 -0.24 -0.12 0.00 -0.47 0.00 0.00 61.79 61.58 2f0r h SER 6 Cb 1.22 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 2f0r h SER 6 CO -0.53 0.90 -0.46 1.56 -0.87 0.00 0.00 176.83 177.43 2f0r h GLN 7 N 0.35 0.30 -0.36 4.77 4.20 -1.79 -2.52 115.11 120.07 2f0r h GLN 7 Ca 0.02 -0.16 -0.09 0.00 0.06 0.00 0.00 58.65 58.47 2f0r h GLN 7 Cb 1.00 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 2f0r h GLN 7 CO 0.09 0.71 -0.13 1.25 -0.67 0.00 0.00 178.83 180.08 2f0r h LEU 8 N 0.25 0.74 -0.82 1.46 5.85 -0.68 -2.13 115.31 119.99 2f0r h LEU 8 Ca 0.02 -0.38 0.10 0.00 0.84 0.00 0.00 57.88 58.45 2f0r h LEU 8 Cb 0.91 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.67 2f0r h LEU 8 CO 0.08 0.96 0.46 0.11 -0.34 0.00 0.00 178.44 179.70 2f0r h LYS 9 N 0.52 0.74 -0.10 1.25 1.57 -0.70 -2.16 116.57 117.69 2f0r h LYS 9 Ca 0.09 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2f0r h LYS 9 Cb 0.66 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 2f0r h LYS 9 CO 0.04 0.49 0.02 0.87 -0.57 0.00 0.00 179.45 180.30 2f0r h LYS 10 N 0.76 0.16 -0.80 3.15 1.79 -1.33 -3.04 116.57 117.26 2f0r h LYS 10 Ca 0.40 -0.04 0.15 0.00 -2.18 0.00 0.00 60.65 58.98 2f0r h LYS 10 Cb 0.39 -0.02 -0.10 0.00 -1.58 0.00 0.00 32.23 30.92 2f0r h LYS 10 CO -0.26 0.35 0.35 0.52 -1.08 0.00 0.00 179.45 179.33 2f0r h MET 11 N -0.06 0.47 -0.90 3.15 2.86 -0.79 -2.41 114.93 117.25 2f0r h MET 11 Ca 0.03 -0.03 -0.53 0.00 -2.06 0.00 0.00 59.70 57.11 2f0r h MET 11 Cb 0.27 -0.11 -0.28 0.00 0.06 0.00 0.00 31.60 31.54 2f0r h MET 11 CO 0.00 0.31 0.55 1.33 1.06 0.00 0.00 176.91 180.16 2f0r n VAL 12 N -4.98 3.23 0.26 -2.22 0.24 -0.87 -4.71 118.33 109.28 2f0r n VAL 12 Ca 0.16 -2.49 0.15 0.00 -2.04 0.00 0.00 64.34 60.12 2f0r n VAL 12 Cb 0.45 -0.71 0.63 0.00 -1.47 0.00 0.00 33.84 32.74 2f0r n VAL 12 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2f0r h SER 13 N 1.39 0.00 -0.44 -1.34 4.64 -1.31 -1.49 113.55 115.00 2f0r h SER 13 Ca 0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 2f0r h SER 13 Cb 1.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.06 2f0r h SER 13 CO 1.15 0.08 0.00 0.29 -0.87 0.00 0.00 176.83 177.48 2f0r n LYS 14 N -3.23 2.39 -2.61 4.77 5.02 -1.26 -4.96 118.16 118.28 2f0r n LYS 14 Ca 0.00 -2.12 -0.35 0.00 -2.02 0.00 0.00 58.31 53.83 2f0r n LYS 14 Cb 0.33 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.81 2f0r n LYS 14 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2f0r s TYR 15 N -1.42 3.16 0.17 2.13 1.51 -0.56 -4.97 117.35 117.36 2f0r s TYR 15 Ca 0.39 1.61 -0.01 0.00 -1.01 0.00 0.00 57.07 58.05 2f0r s TYR 15 Cb 0.22 -3.03 0.03 0.00 -0.11 0.00 0.00 41.96 39.06 2f0r s TYR 15 CO 0.30 -0.59 1.41 0.87 -1.11 0.00 0.00 175.55 176.43 2f0r h LYS 16 N 1.94 0.36 -2.32 -0.62 1.79 -1.22 -3.36 116.57 113.14 2f0r h LYS 16 Ca -0.49 -0.33 -0.60 0.00 -2.18 0.00 0.00 60.65 57.06 2f0r h LYS 16 Cb 1.21 0.08 -0.41 0.00 -1.58 0.00 0.00 32.23 31.52 2f0r h LYS 16 CO 0.60 0.98 -0.71 0.66 -1.08 0.00 0.00 179.45 179.91 2f0r n TYR 17 N -3.79 2.57 0.21 -1.35 4.01 -1.26 -5.00 117.16 112.55 2f0r n TYR 17 Ca -0.05 -4.02 -0.13 0.00 -0.16 0.00 0.00 57.90 53.54 2f0r n TYR 17 Cb 0.74 -0.49 -0.07 0.00 -0.31 0.00 0.00 39.34 39.21 2f0r n TYR 17 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2f0r h ARG 18 N 4.42 -0.55 -0.82 -0.72 3.08 -1.88 -2.12 114.38 115.79 2f0r h ARG 18 Ca 0.17 0.04 0.20 0.00 0.07 0.00 0.00 59.98 60.46 2f0r h ARG 18 Cb 0.73 0.12 -0.13 0.00 0.08 0.00 0.00 29.97 30.78 2f0r h ARG 18 CO 0.72 -0.24 0.19 -0.44 -1.07 0.00 0.00 179.97 179.13 2f0r h ASP 19 N -0.93 -0.03 -0.30 7.04 5.19 -1.95 0.65 116.42 126.09 2f0r h ASP 19 Ca -0.06 0.18 -0.14 0.00 -0.62 0.00 0.00 57.03 56.39 2f0r h ASP 19 Cb 0.56 0.25 -0.01 0.00 0.18 0.00 0.00 39.33 40.31 2f0r h ASP 19 CO 0.10 -0.11 -0.31 -0.07 -3.12 0.00 0.00 179.24 175.72 2f0r h LEU 20 N 0.23 0.86 -0.07 1.55 3.38 -1.93 -1.32 115.31 118.01 2f0r h LEU 20 Ca 0.49 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2f0r h LEU 20 Cb 0.92 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 2f0r h LEU 20 CO -0.60 1.10 -0.03 0.74 0.09 0.00 0.00 178.44 179.74 2f0r h THR 21 N 0.69 1.32 0.55 0.22 2.02 -0.45 -3.03 112.91 114.23 2f0r h THR 21 Ca 0.08 -1.01 -0.02 0.00 0.77 0.00 0.00 66.41 66.23 2f0r h THR 21 Cb 0.86 1.85 -0.02 0.00 -1.74 0.00 0.00 68.15 69.10 2f0r h THR 21 CO 0.08 0.28 -0.45 0.58 0.37 0.00 0.00 175.52 176.37 2f0r h VAL 22 N -0.23 0.09 -0.96 3.16 2.07 0.25 -2.17 116.25 118.46 2f0r h VAL 22 Ca 0.02 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.69 2f0r h VAL 22 Cb 0.46 0.09 -0.16 0.00 -1.52 0.00 0.00 31.29 30.16 2f0r h VAL 22 CO 0.01 0.00 -0.38 -0.09 0.02 0.00 0.00 177.57 177.13 2f0r h ARG 23 N -0.99 -0.01 -0.10 1.57 2.43 -1.32 -0.65 114.38 115.30 2f0r h ARG 23 Ca -0.06 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.98 2f0r h ARG 23 Cb 0.84 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 2f0r h ARG 23 CO -0.01 -0.01 -0.49 1.49 -1.51 0.00 0.00 179.97 179.44 2f0r h GLU 24 N -0.01 0.26 -0.33 0.20 4.81 -1.54 -3.13 114.58 114.84 2f0r h GLU 24 Ca 0.34 -0.15 -0.17 0.00 -0.13 0.00 0.00 59.36 59.26 2f0r h GLU 24 Cb 0.60 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 2f0r h GLU 24 CO -0.97 0.70 -0.45 1.15 -0.73 0.00 0.00 179.01 178.71 2f0r h THR 25 N 0.21 1.28 -0.57 0.32 2.02 -0.56 -1.97 112.91 113.64 2f0r h THR 25 Ca 0.01 -1.63 0.08 0.00 0.77 0.00 0.00 66.41 65.64 2f0r h THR 25 Cb 0.94 1.52 -0.07 0.00 -1.74 0.00 0.00 68.15 68.81 2f0r h THR 25 CO 0.08 0.54 0.21 0.58 0.37 0.00 0.00 175.52 177.30 2f0r h VAL 26 N 0.69 0.80 -0.21 3.16 2.07 -1.17 -2.15 116.25 119.43 2f0r h VAL 26 Ca 0.04 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 2f0r h VAL 26 Cb 1.06 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2f0r h VAL 26 CO 0.11 0.07 -0.05 0.78 0.02 0.00 0.00 177.57 178.50 2f0r h ASN 27 N 0.40 0.41 -0.65 0.57 2.35 -1.46 -2.41 115.58 114.78 2f0r h ASN 27 Ca 0.28 -0.36 0.10 0.00 -0.55 0.00 0.00 56.30 55.76 2f0r h ASN 27 Cb 0.32 -0.11 -0.07 0.00 0.05 0.00 0.00 38.32 38.51 2f0r h ASN 27 CO -0.28 0.67 0.28 0.58 -1.65 0.00 0.00 177.43 177.04 2f0r h VAL 28 N 0.13 0.79 0.00 2.81 2.07 -1.21 -1.20 116.25 119.64 2f0r h VAL 28 Ca 0.05 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2f0r h VAL 28 Cb 0.50 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2f0r h VAL 28 CO 0.02 0.09 -0.51 0.16 0.02 0.00 0.00 177.57 177.35 2f0r h ILE 29 N 0.48 0.00 -0.17 4.57 3.07 -1.36 0.32 117.51 124.42 2f0r h ILE 29 Ca 0.33 -1.00 -0.08 0.00 1.55 0.00 0.00 64.86 65.66 2f0r h ILE 29 Cb 0.39 1.74 -0.00 0.00 -0.27 0.00 0.00 36.82 38.68 2f0r h ILE 29 CO -0.30 0.00 -0.22 0.74 -1.05 0.00 0.00 178.15 177.32 2f0r h THR 30 N 0.00 1.35 -0.05 0.16 2.02 -1.35 -3.34 112.91 111.69 2f0r h THR 30 Ca 0.00 -1.42 -0.13 0.00 0.77 0.00 0.00 66.41 65.63 2f0r h THR 30 Cb 1.00 1.88 0.01 0.00 -1.74 0.00 0.00 68.15 69.30 2f0r h THR 30 CO 0.00 0.43 -0.46 0.25 0.37 0.00 0.00 175.52 176.11 2f0r h LEU 31 N 0.09 0.49 -7.67 2.58 5.85 -1.06 -3.38 115.31 112.20 2f0r h LEU 31 Ca 0.02 -0.70 -0.76 0.00 0.84 0.00 0.00 57.88 57.29 2f0r h LEU 31 Cb 0.78 -0.15 -0.30 0.00 0.37 0.00 0.00 40.66 41.37 2f0r h LEU 31 CO 0.05 1.11 -0.01 -0.31 -0.34 0.00 0.00 178.44 178.94 2f0r s TYR 32 N -3.45 3.73 -1.40 1.25 2.02 0.11 -4.92 117.35 114.68 2f0r s TYR 32 Ca -0.14 -2.39 0.17 0.00 -0.37 0.00 0.00 57.07 54.35 2f0r s TYR 32 Cb 0.04 -3.59 0.86 0.00 -0.40 0.00 0.00 41.96 38.87 2f0r s TYR 32 CO 0.80 -0.92 1.51 1.63 -1.57 0.00 0.00 175.55 177.01 2f0r n LYS 33 N 3.52 0.23 -0.12 -0.62 5.02 -1.25 -1.30 118.16 123.64 2f0r n LYS 33 Ca 0.14 0.13 0.10 0.00 -2.02 0.00 0.00 58.31 56.66 2f0r n LYS 33 Cb 0.42 -1.50 0.16 0.00 -0.02 0.00 0.00 35.03 34.10 2f0r n LYS 33 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2f0r n ASP 34 N -1.30 3.11 -4.82 4.39 8.00 -1.26 -4.87 116.55 119.80 2f0r n ASP 34 Ca 0.08 -1.92 -0.37 0.00 0.71 0.00 0.00 54.79 53.29 2f0r n ASP 34 Cb 0.14 -0.16 -0.06 0.00 -0.02 0.00 0.00 41.12 41.02 2f0r n ASP 34 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2f0r s LEU 35 N -1.48 4.37 -0.02 0.64 1.43 -0.42 -1.84 118.68 121.37 2f0r s LEU 35 Ca 0.32 0.62 0.02 0.00 -1.03 0.00 0.00 54.13 54.05 2f0r s LEU 35 Cb 0.19 -2.30 0.01 0.00 0.03 0.00 0.00 46.19 44.12 2f0r s LEU 35 CO 0.28 0.30 -0.06 -1.59 0.23 0.00 0.00 176.35 175.50 2f0r s LYS 36 N -0.60 0.65 -0.07 1.70 -2.85 0.17 -4.80 119.74 113.95 2f0r s LYS 36 Ca 0.18 -0.18 -0.30 0.00 -1.00 0.00 0.00 55.97 54.67 2f0r s LYS 36 Cb -0.14 -0.65 -0.03 0.00 -2.06 0.00 0.00 37.83 34.96 2f0r s LYS 36 CO 0.06 0.05 1.19 -1.25 0.10 0.00 0.00 175.35 175.51 2f0r s PRO 37 N 0.27 4.35 0.14 1.78 0.04 -1.26 -2.13 135.00 138.19 2f0r s PRO 37 Ca -0.03 1.65 0.09 0.00 0.04 0.00 0.00 61.00 62.74 2f0r s PRO 37 Cb -0.08 -3.57 -0.04 0.00 0.04 0.00 0.00 34.50 30.86 2f0r s PRO 37 CO -0.00 -0.45 -0.20 0.14 0.04 0.00 0.00 177.00 176.53 2f0r s VAL 38 N 2.27 1.85 -0.24 -0.36 -7.23 0.87 -4.93 120.40 112.62 2f0r s VAL 38 Ca 0.55 -1.79 -0.07 0.00 -1.81 0.00 0.00 61.98 58.86 2f0r s VAL 38 Cb -0.24 -1.77 -0.03 0.00 0.56 0.00 0.00 36.38 34.89 2f0r s VAL 38 CO 0.21 -0.19 0.07 -0.22 -0.31 0.00 0.00 175.10 174.66 2f0r s LEU 39 N -2.37 3.51 0.08 1.32 2.96 -1.26 0.59 118.68 123.50 2f0r s LEU 39 Ca 0.13 -0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 53.85 2f0r s LEU 39 Cb -0.08 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 2f0r s LEU 39 CO 0.06 -0.01 0.05 -0.62 -1.32 0.00 0.00 176.35 174.51 2f0r s ASP 40 N 1.46 0.36 0.04 3.68 2.15 -0.59 -4.96 116.67 118.81 2f0r s ASP 40 Ca 0.06 -0.95 -0.25 0.00 0.43 0.00 0.00 52.55 51.84 2f0r s ASP 40 Cb -0.15 0.26 -0.05 0.00 -0.30 0.00 0.00 42.92 42.68 2f0r s ASP 40 CO 0.04 -0.66 0.78 -0.44 -0.17 0.00 0.00 175.17 174.72 2f0r s SER 41 N -2.93 7.22 -0.10 -0.34 0.01 -1.26 -0.33 113.70 115.97 2f0r s SER 41 Ca 0.10 1.46 0.02 0.00 1.31 0.00 0.00 55.95 58.84 2f0r s SER 41 Cb 0.07 -2.48 -0.01 0.00 0.21 0.00 0.00 66.02 63.81 2f0r s SER 41 CO -0.08 -0.01 -0.18 -0.47 0.41 0.00 0.00 173.24 172.90 2f0r s TYR 42 N 0.07 2.67 -0.34 2.43 6.14 0.29 -4.92 117.35 123.69 2f0r s TYR 42 Ca 0.40 -0.75 -0.13 0.00 0.64 0.00 0.00 57.07 57.23 2f0r s TYR 42 Cb -0.20 -1.75 -0.02 0.00 0.42 0.00 0.00 41.96 40.41 2f0r s TYR 42 CO 0.23 -0.25 0.24 0.08 0.64 0.00 0.00 175.55 176.49 2f0r s VAL 43 N 0.20 5.23 0.91 3.14 1.01 -1.26 -1.53 120.40 128.10 2f0r s VAL 43 Ca -0.11 -0.24 -0.15 0.00 0.00 0.00 0.00 61.98 61.47 2f0r s VAL 43 Cb -0.16 -3.69 0.21 0.00 0.00 0.00 0.00 36.38 32.74 2f0r s VAL 43 CO 0.06 -0.01 1.19 0.49 0.00 0.00 0.00 175.10 176.83 2f0r n PHE 44 N 5.10 -3.98 0.00 5.22 3.01 -0.18 -5.00 117.46 121.62 2f0r n PHE 44 Ca -0.13 -1.05 -0.08 0.00 1.01 0.00 0.00 57.45 57.20 2f0r n PHE 44 Cb 0.50 -0.94 -0.05 0.00 -0.01 0.00 0.00 39.48 38.97 2f0r n PHE 44 CO 0.00 0.00 0.00 -0.97 1.01 0.00 0.00 176.76 176.80 2f0r h ASN 45 N -1.68 -0.89 -3.39 4.37 -0.73 -1.98 -3.36 115.58 107.92 2f0r h ASN 45 Ca -0.39 0.10 -0.55 0.00 1.87 0.00 0.00 56.30 57.33 2f0r h ASN 45 Cb 1.08 0.35 -0.04 0.00 0.27 0.00 0.00 38.32 39.97 2f0r h ASN 45 CO 0.27 -0.25 0.15 -1.81 -0.37 0.00 0.00 177.43 175.42 2f0r s ASP 46 N -3.74 7.12 0.00 1.15 1.11 -1.26 -4.92 116.67 116.13 2f0r s ASP 46 Ca -0.08 1.34 0.00 0.00 0.18 0.00 0.00 52.55 53.99 2f0r s ASP 46 Cb 0.04 -2.45 0.00 0.00 1.07 0.00 0.00 42.92 41.57 2f0r s ASP 46 CO 0.32 -0.09 0.07 0.61 1.18 0.00 0.00 175.17 177.26 2f0r n GLY 47 N 2.83 0.00 3.58 0.21 0.00 -1.26 -4.74 105.19 105.82 2f0r n GLY 47 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 2f0r n GLY 47 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2f0r n SER 48 N -0.53 1.09 -4.24 1.61 2.88 -1.26 -4.66 113.62 108.51 2f0r n SER 48 Ca 0.00 1.10 -0.13 0.00 -1.33 0.00 0.00 58.87 58.51 2f0r n SER 48 Cb 0.00 -1.30 -0.10 0.00 -0.75 0.00 0.00 64.21 62.06 2f0r n SER 48 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2f0r s SER 49 N -0.66 1.56 -0.06 -3.46 0.01 -1.26 -1.01 113.70 108.82 2f0r s SER 49 Ca 0.61 -1.05 -0.29 0.00 1.31 0.00 0.00 55.95 56.52 2f0r s SER 49 Cb -0.64 0.03 0.07 0.00 0.21 0.00 0.00 66.02 65.69 2f0r s SER 49 CO 0.59 -0.41 0.66 -0.60 0.41 0.00 0.00 173.24 173.88 2f0r s ARG 50 N -3.80 1.01 -0.23 12.44 3.52 -0.58 -4.96 118.95 126.35 2f0r s ARG 50 Ca 0.17 0.28 -0.25 0.00 -0.13 0.00 0.00 55.73 55.81 2f0r s ARG 50 Cb 0.04 0.48 -0.01 0.00 -1.56 0.00 0.00 34.95 33.90 2f0r s ARG 50 CO 0.00 -0.30 0.83 -2.00 -0.81 0.00 0.00 175.30 173.02 2f0r s GLU 51 N -1.08 4.20 0.12 5.12 2.56 -1.26 0.11 118.70 128.47 2f0r s GLU 51 Ca -0.10 0.96 0.04 0.00 0.00 0.00 0.00 54.97 55.87 2f0r s GLU 51 Cb -0.01 -3.63 -0.04 0.00 2.00 0.00 0.00 34.13 32.45 2f0r s GLU 51 CO 0.09 -0.48 -0.11 -0.51 -0.56 0.00 0.00 175.26 173.69 2f0r s LEU 52 N 2.72 2.47 0.05 2.70 1.43 0.56 -4.93 118.68 123.68 2f0r s LEU 52 Ca 0.35 -0.91 -0.30 0.00 -1.03 0.00 0.00 54.13 52.24 2f0r s LEU 52 Cb -0.15 -0.36 -0.04 0.00 0.03 0.00 0.00 46.19 45.66 2f0r s LEU 52 CO 0.08 -0.28 1.01 -0.32 0.23 0.00 0.00 176.35 177.07 2f0r s MET 53 N -3.25 4.59 -0.10 1.70 -2.45 -1.26 -1.54 119.30 116.99 2f0r s MET 53 Ca 0.11 1.49 0.03 0.00 -1.25 0.00 0.00 55.69 56.07 2f0r s MET 53 Cb -0.00 -3.41 0.01 0.00 1.25 0.00 0.00 34.83 32.67 2f0r s MET 53 CO 0.01 0.01 -0.19 1.21 1.05 0.00 0.00 175.02 177.11 2f0r s ASN 54 N 0.65 2.64 -0.46 1.11 2.47 0.20 -1.58 114.94 119.97 2f0r s ASN 54 Ca 0.51 -0.48 -0.19 0.00 0.42 0.00 0.00 52.86 53.13 2f0r s ASN 54 Cb -0.23 -1.21 0.04 0.00 -1.45 0.00 0.00 41.25 38.40 2f0r s ASN 54 CO 0.29 0.09 0.57 -0.76 -3.72 0.00 0.00 177.10 173.57 2f0r s LEU 55 N 0.60 4.81 0.15 3.21 1.43 -0.34 -0.09 118.68 128.46 2f0r s LEU 55 Ca -0.14 -0.68 0.08 0.00 -1.03 0.00 0.00 54.13 52.36 2f0r s LEU 55 Cb -0.17 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 2f0r s LEU 55 CO 0.04 -0.76 -0.18 -0.89 0.23 0.00 0.00 176.35 174.79 2f0r s THR 56 N 2.51 1.77 0.00 5.49 2.01 -0.91 -1.16 115.64 125.35 2f0r s THR 56 Ca 0.16 -1.83 0.00 0.00 0.31 0.00 0.00 61.69 60.33 2f0r s THR 56 Cb -0.17 -1.77 0.00 0.00 0.01 0.00 0.00 72.50 70.57 2f0r s THR 56 CO 0.14 -0.27 0.00 0.61 -0.69 0.00 0.00 174.62 174.41 2f0r n GLY 57 N 0.47 0.47 3.21 4.40 0.00 -1.15 0.44 105.19 113.03 2f0r n GLY 57 Ca -0.15 -1.22 -0.14 0.00 0.00 0.00 0.00 46.02 44.52 2f0r n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2f0r s THR 58 N -3.32 1.01 0.05 2.61 -4.23 -0.77 -1.69 115.64 109.30 2f0r s THR 58 Ca 0.00 -1.91 0.08 0.00 -1.18 0.00 0.00 61.69 58.68 2f0r s THR 58 Cb 0.00 -1.67 -0.03 0.00 1.34 0.00 0.00 72.50 72.14 2f0r s THR 58 CO 0.00 -0.72 -0.24 0.27 -0.54 0.00 0.00 174.62 173.40 2f0r s ILE 59 N -3.12 1.93 -0.08 2.99 -4.36 -0.41 -4.03 121.20 114.12 2f0r s ILE 59 Ca 0.12 -1.32 -0.27 0.00 -0.26 0.00 0.00 60.65 58.92 2f0r s ILE 59 Cb 0.01 -1.67 -0.02 0.00 1.25 0.00 0.00 42.46 42.03 2f0r s ILE 59 CO -0.01 0.29 0.88 -2.16 0.24 0.00 0.00 174.94 174.18 2f0r s PRO 60 N -1.24 4.44 -0.11 0.37 0.04 -1.26 -0.78 135.00 136.47 2f0r s PRO 60 Ca 0.10 1.19 -0.01 0.00 0.04 0.00 0.00 61.00 62.31 2f0r s PRO 60 Cb -0.09 -3.50 0.04 0.00 0.04 0.00 0.00 34.50 30.98 2f0r s PRO 60 CO 0.02 -0.14 -0.01 0.08 0.04 0.00 0.00 177.00 177.00 2f0r s VAL 61 N 1.41 0.56 0.11 -0.36 1.01 0.77 -4.93 120.40 118.98 2f0r s VAL 61 Ca 0.45 -0.14 -0.31 0.00 0.00 0.00 0.00 61.98 61.98 2f0r s VAL 61 Cb -0.19 -0.77 -0.07 0.00 0.00 0.00 0.00 36.38 35.35 2f0r s VAL 61 CO 0.20 0.16 1.26 -2.84 0.00 0.00 0.00 175.10 173.89 2f0r s PRO 62 N 1.88 4.41 -0.13 2.72 0.02 -1.26 -0.57 135.00 142.07 2f0r s PRO 62 Ca 0.03 1.91 -0.04 0.00 0.02 0.00 0.00 61.00 62.92 2f0r s PRO 62 Cb -0.14 -3.28 0.07 0.00 0.02 0.00 0.00 34.50 31.17 2f0r s PRO 62 CO -0.06 -0.28 0.24 -0.47 -0.33 0.00 0.00 177.00 176.10 2f0r s TYR 63 N 0.76 -0.37 -1.55 6.54 5.04 0.27 -4.38 117.35 123.66 2f0r s TYR 63 Ca 0.59 0.80 -0.13 0.00 -2.44 0.00 0.00 57.07 55.89 2f0r s TYR 63 Cb -0.33 -0.12 0.09 0.00 0.35 0.00 0.00 41.96 41.95 2f0r s TYR 63 CO 0.32 -0.38 0.87 0.54 -1.34 0.00 0.00 175.55 175.55 2f0r n ARG 64 N 5.34 -4.68 -0.58 4.97 5.12 -1.26 -1.86 116.66 123.71 2f0r n ARG 64 Ca -0.06 0.52 0.00 0.00 -1.93 0.00 0.00 57.85 56.39 2f0r n ARG 64 Cb 0.50 -5.29 0.00 0.00 -1.16 0.00 0.00 32.46 26.51 2f0r n ARG 64 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2f0r n GLY 65 N -1.63 0.77 3.37 -0.13 0.00 -1.26 -5.05 105.19 101.26 2f0r n GLY 65 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2f0r n GLY 65 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2f0r s ASN 66 N -2.73 2.21 -0.17 1.61 -0.87 -0.78 -5.13 114.94 109.08 2f0r s ASN 66 Ca 0.00 -1.20 -0.06 0.00 -1.57 0.00 0.00 52.86 50.04 2f0r s ASN 66 Cb 0.00 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.25 41.13 2f0r s ASN 66 CO 0.00 -0.43 0.01 -0.89 -2.57 0.00 0.00 177.10 173.22 2f0r s THR 67 N -3.25 4.32 0.03 1.60 2.01 -1.26 0.96 115.64 120.05 2f0r s THR 67 Ca 0.28 -0.20 0.07 0.00 0.31 0.00 0.00 61.69 62.15 2f0r s THR 67 Cb 0.05 -2.93 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 2f0r s THR 67 CO 0.10 0.47 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.99 2f0r s TYR 68 N 0.42 2.53 -0.63 4.92 1.51 0.27 -4.89 117.35 121.48 2f0r s TYR 68 Ca -0.00 -0.28 -0.17 0.00 -1.01 0.00 0.00 57.07 55.61 2f0r s TYR 68 Cb -0.13 -1.48 0.13 0.00 -0.11 0.00 0.00 41.96 40.37 2f0r s TYR 68 CO 0.02 0.21 0.68 -0.80 -1.11 0.00 0.00 175.55 174.54 2f0r s ASN 69 N -1.27 6.29 -0.28 2.29 0.01 -1.26 -0.16 114.94 120.56 2f0r s ASN 69 Ca 0.14 -1.76 -0.24 0.00 -0.71 0.00 0.00 52.86 50.29 2f0r s ASN 69 Cb -0.10 -2.27 -0.00 0.00 0.41 0.00 0.00 41.25 39.29 2f0r s ASN 69 CO 0.04 -0.96 0.79 -0.63 -1.51 0.00 0.00 177.10 174.83 2f0r s ILE 70 N 2.01 4.82 -0.04 0.60 -1.09 0.04 -4.81 121.20 122.73 2f0r s ILE 70 Ca 0.11 1.31 -0.30 0.00 -2.23 0.00 0.00 60.65 59.55 2f0r s ILE 70 Cb -0.23 -4.12 -0.03 0.00 -1.58 0.00 0.00 42.46 36.50 2f0r s ILE 70 CO 0.02 -0.17 1.06 -2.16 -1.23 0.00 0.00 174.94 172.46 2f0r s PRO 71 N 2.89 4.45 0.18 2.79 0.04 -1.26 -1.29 135.00 142.80 2f0r s PRO 71 Ca 0.33 1.51 0.01 0.00 0.04 0.00 0.00 61.00 62.89 2f0r s PRO 71 Cb -0.15 -3.49 -0.05 0.00 0.04 0.00 0.00 34.50 30.86 2f0r s PRO 71 CO 0.10 -0.25 0.04 0.96 0.04 0.00 0.00 177.00 177.89 2f0r s ILE 72 N 1.59 0.51 -0.04 0.56 -4.36 -0.68 -0.91 121.20 117.87 2f0r s ILE 72 Ca 0.52 -1.97 0.01 0.00 -0.26 0.00 0.00 60.65 58.95 2f0r s ILE 72 Cb -0.22 -2.21 0.02 0.00 1.25 0.00 0.00 42.46 41.30 2f0r s ILE 72 CO 0.24 -0.37 -0.03 0.00 0.24 0.00 0.00 174.94 175.02 2f0r s LEU 74 N 0.97 3.94 -0.10 0.00 1.43 -0.31 -1.35 118.68 123.25 2f0r s LEU 74 Ca -0.10 -1.83 -0.26 0.00 -1.03 0.00 0.00 54.13 50.90 2f0r s LEU 74 Cb -0.14 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.59 2f0r s LEU 74 CO -0.01 -0.33 0.86 0.26 0.23 0.00 0.00 176.35 177.36 2f0r s TRP 75 N 1.09 3.52 -0.26 0.29 0.52 0.38 -1.20 118.94 123.28 2f0r s TRP 75 Ca 0.05 1.40 -0.09 0.00 0.02 0.00 0.00 56.10 57.47 2f0r s TRP 75 Cb -0.19 -3.02 -0.04 0.00 -1.15 0.00 0.00 33.47 29.07 2f0r s TRP 75 CO -0.09 -0.12 0.13 -0.51 0.02 0.00 0.00 176.95 176.38 2f0r s LEU 76 N 1.59 3.80 0.78 2.99 1.43 -0.61 -1.17 118.68 127.49 2f0r s LEU 76 Ca 0.42 -0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 53.36 2f0r s LEU 76 Cb -0.18 -2.03 0.06 0.00 0.03 0.00 0.00 46.19 44.07 2f0r s LEU 76 CO 0.18 -0.01 1.09 -0.76 0.23 0.00 0.00 176.35 177.08 2f0r s LEU 77 N 1.50 2.96 0.00 1.79 1.43 -1.26 -4.18 118.68 120.93 2f0r s LEU 77 Ca 0.06 1.79 0.23 0.00 -1.03 0.00 0.00 54.13 55.18 2f0r s LEU 77 Cb -0.15 -4.46 1.34 0.00 0.03 0.00 0.00 46.19 42.95 2f0r s LEU 77 CO 0.07 -2.08 1.72 -0.90 0.23 0.00 0.00 176.35 175.39 2f0r n ASP 78 N -3.55 0.00 -0.91 2.29 5.68 -1.26 -0.66 116.55 118.14 2f0r n ASP 78 Ca 0.09 -0.69 0.10 0.00 -0.50 0.00 0.00 54.79 53.79 2f0r n ASP 78 Cb 0.53 -0.01 0.16 0.00 -1.14 0.00 0.00 41.12 40.66 2f0r n ASP 78 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2f0r n THR 79 N -1.01 0.42 -1.50 2.12 -2.24 -1.26 -0.68 114.28 110.13 2f0r n THR 79 Ca 0.17 -0.71 -0.53 0.00 -2.27 0.00 0.00 64.05 60.71 2f0r n THR 79 Cb 0.08 1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 69.28 2f0r n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2f0r n TYR 80 N 1.16 0.59 1.20 4.78 9.36 0.17 -1.12 117.16 133.29 2f0r n TYR 80 Ca 0.15 0.91 0.04 0.00 3.32 0.00 0.00 57.90 62.32 2f0r n TYR 80 Cb 0.51 -2.12 0.13 0.00 -0.63 0.00 0.00 39.34 37.22 2f0r n TYR 80 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2f0r n PRO 81 N 1.50 1.58 0.08 2.98 -0.04 -1.26 -4.36 135.00 135.48 2f0r n PRO 81 Ca 0.18 -0.91 0.12 0.00 -0.04 0.00 0.00 63.50 62.85 2f0r n PRO 81 Cb 0.17 -1.20 0.03 0.00 -0.04 0.00 0.00 33.50 32.46 2f0r n PRO 81 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2f0r n TYR 82 N 0.23 0.74 -4.50 0.54 4.01 -0.27 -4.27 117.16 113.64 2f0r n TYR 82 Ca 0.09 0.22 -0.27 0.00 -0.16 0.00 0.00 57.90 57.77 2f0r n TYR 82 Cb 0.22 -0.80 -0.13 0.00 -0.31 0.00 0.00 39.34 38.31 2f0r n TYR 82 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 2f0r s ASN 83 N -4.87 2.91 0.75 7.72 0.01 -1.25 -4.70 114.94 115.52 2f0r s ASN 83 Ca 0.01 -0.66 -0.13 0.00 -0.71 0.00 0.00 52.86 51.37 2f0r s ASN 83 Cb 0.11 -0.21 0.05 0.00 0.41 0.00 0.00 41.25 41.62 2f0r s ASN 83 CO 0.78 0.15 1.13 -2.16 -1.51 0.00 0.00 177.10 175.50 2f0r s PRO 84 N -1.71 2.17 0.65 -0.60 0.04 -1.26 -4.54 135.00 129.75 2f0r s PRO 84 Ca 0.10 1.44 -0.16 0.00 0.04 0.00 0.00 61.00 62.42 2f0r s PRO 84 Cb -0.10 -1.87 -0.00 0.00 0.04 0.00 0.00 34.50 32.57 2f0r s PRO 84 CO 0.04 -1.74 1.13 -1.25 0.04 0.00 0.00 177.00 175.21 2f0r s PRO 85 N -4.39 2.80 -0.20 0.56 0.04 -1.26 -4.71 135.00 127.84 2f0r s PRO 85 Ca 0.67 1.48 -0.16 0.00 0.04 0.00 0.00 61.00 63.02 2f0r s PRO 85 Cb -0.22 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 2f0r s PRO 85 CO 0.49 -1.26 0.42 0.42 0.04 0.00 0.00 177.00 177.12 2f0r s ILE 86 N -2.19 5.18 -0.03 0.56 -1.09 -0.32 -4.88 121.20 118.43 2f0r s ILE 86 Ca 0.69 0.77 0.07 0.00 -2.23 0.00 0.00 60.65 59.95 2f0r s ILE 86 Cb -0.22 -3.75 -0.02 0.00 -1.58 0.00 0.00 42.46 36.89 2f0r s ILE 86 CO 0.40 0.24 -0.24 0.00 -1.23 0.00 0.00 174.94 174.10 2f0r s PHE 88 N -0.49 0.14 0.19 0.00 0.08 -0.46 -1.27 117.98 116.17 2f0r s PHE 88 Ca 0.07 -0.28 -0.30 0.00 0.12 0.00 0.00 56.93 56.54 2f0r s PHE 88 Cb -0.10 -0.10 -0.08 0.00 -0.57 0.00 0.00 43.02 42.17 2f0r s PHE 88 CO -0.00 -0.13 1.13 0.08 -0.10 0.00 0.00 175.22 176.20 2f0r s VAL 89 N -0.91 3.74 -0.58 -0.44 1.01 -0.16 -0.36 120.40 122.70 2f0r s VAL 89 Ca -0.10 1.51 0.06 0.00 0.00 0.00 0.00 61.98 63.45 2f0r s VAL 89 Cb -0.06 -3.96 0.23 0.00 0.00 0.00 0.00 36.38 32.58 2f0r s VAL 89 CO -0.00 0.27 0.61 1.17 0.00 0.00 0.00 175.10 177.14 2f0r n LYS 90 N 2.28 1.75 -1.68 2.72 4.81 -0.09 -4.70 118.16 123.26 2f0r n LYS 90 Ca 0.03 -4.17 -0.40 0.00 -0.87 0.00 0.00 58.31 52.90 2f0r n LYS 90 Cb 0.46 -1.98 0.02 0.00 0.02 0.00 0.00 35.03 33.55 2f0r n LYS 90 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2f0r n PRO 91 N 1.40 1.66 -1.95 1.64 -0.04 -1.26 -4.71 135.00 131.74 2f0r n PRO 91 Ca 0.26 0.60 -0.30 0.00 -0.04 0.00 0.00 63.50 64.02 2f0r n PRO 91 Cb 0.43 -2.33 0.20 0.00 -0.04 0.00 0.00 33.50 31.77 2f0r n PRO 91 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2f0r s THR 92 N -1.27 2.00 0.40 0.52 -4.23 -1.26 -4.91 115.64 106.89 2f0r s THR 92 Ca 0.65 -0.01 0.40 0.00 -1.18 0.00 0.00 61.69 61.55 2f0r s THR 92 Cb -0.49 -2.99 0.42 0.00 1.34 0.00 0.00 72.50 70.78 2f0r s THR 92 CO 0.55 0.00 2.19 0.77 -0.54 0.00 0.00 174.62 177.59 2f0r h SER 93 N -1.75 0.00 -0.58 3.99 4.64 -2.03 -1.71 113.55 116.11 2f0r h SER 93 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2f0r h SER 93 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2f0r h SER 93 CO 0.32 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.74 2f0r n SER 94 N -3.09 5.15 -4.45 4.97 3.41 -1.26 -4.96 113.62 113.39 2f0r n SER 94 Ca -0.01 -2.73 -0.26 0.00 -0.26 0.00 0.00 58.87 55.61 2f0r n SER 94 Cb 0.18 -0.62 -0.11 0.00 -0.26 0.00 0.00 64.21 63.40 2f0r n SER 94 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2f0r s MET 95 N -2.36 1.62 0.05 4.33 1.00 -0.65 -4.72 119.30 118.58 2f0r s MET 95 Ca 0.52 -1.52 0.03 0.00 0.00 0.00 0.00 55.69 54.71 2f0r s MET 95 Cb 0.37 -1.88 -0.04 0.00 0.00 0.00 0.00 34.83 33.28 2f0r s MET 95 CO 0.19 0.39 0.04 0.95 0.00 0.00 0.00 175.02 176.60 2f0r s THR 96 N -1.80 4.35 0.16 2.05 -4.23 0.03 -4.73 115.64 111.47 2f0r s THR 96 Ca 0.23 -0.73 -0.30 0.00 -1.18 0.00 0.00 61.69 59.71 2f0r s THR 96 Cb -0.08 -3.04 -0.07 0.00 1.34 0.00 0.00 72.50 70.65 2f0r s THR 96 CO 0.11 0.21 1.09 -0.63 -0.54 0.00 0.00 174.62 174.87 2f0r s ILE 97 N -1.27 3.95 -0.38 2.99 1.01 -1.26 -0.99 121.20 125.24 2f0r s ILE 97 Ca 0.25 1.65 -0.09 0.00 0.00 0.00 0.00 60.65 62.46 2f0r s ILE 97 Cb -0.12 -4.05 0.05 0.00 0.01 0.00 0.00 42.46 38.35 2f0r s ILE 97 CO 0.17 0.27 0.20 -0.75 0.00 0.00 0.00 174.94 174.82 2f0r s LYS 98 N -0.20 2.65 0.74 2.79 2.47 0.16 -4.88 119.74 123.46 2f0r s LYS 98 Ca 0.50 -1.29 -0.12 0.00 -1.56 0.00 0.00 55.97 53.51 2f0r s LYS 98 Cb -0.29 -3.66 0.03 0.00 -1.46 0.00 0.00 37.83 32.46 2f0r s LYS 98 CO 0.34 -0.80 1.11 0.95 0.16 0.00 0.00 175.35 177.11 2f0r s THR 99 N 1.44 3.14 -1.15 3.43 -4.23 -1.26 -4.69 115.64 112.32 2f0r s THR 99 Ca 0.01 0.37 0.00 0.00 -1.18 0.00 0.00 61.69 60.89 2f0r s THR 99 Cb -0.21 -3.34 0.00 0.00 1.34 0.00 0.00 72.50 70.30 2f0r s THR 99 CO 0.03 -0.48 0.00 0.61 -0.54 0.00 0.00 174.62 174.24 2f0r n GLY 100 N -2.95 -0.60 0.33 3.99 0.00 -0.40 -4.93 105.19 100.63 2f0r n GLY 100 Ca 0.07 -0.62 -0.01 0.00 0.00 0.00 0.00 46.02 45.46 2f0r n GLY 100 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2f0r h LYS 101 N 0.00 0.90 -0.28 1.61 3.64 -1.97 -2.93 116.57 117.54 2f0r h LYS 101 Ca 0.00 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2f0r h LYS 101 Cb 0.00 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 2f0r h LYS 101 CO 0.00 0.69 0.00 0.72 -2.27 0.00 0.00 179.45 178.59 2f0r n HIS 102 N -4.36 0.36 -3.64 1.91 8.25 -1.26 -4.79 115.22 111.69 2f0r n HIS 102 Ca 0.06 -0.28 -0.16 0.00 -0.26 0.00 0.00 57.72 57.08 2f0r n HIS 102 Cb 0.12 -0.01 -0.15 0.00 1.12 0.00 0.00 29.99 31.07 2f0r n HIS 102 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2f0r s VAL 103 N -1.13 -0.30 0.77 1.59 1.01 -1.11 -1.13 120.40 120.10 2f0r s VAL 103 Ca 0.26 0.27 -0.03 0.00 0.00 0.00 0.00 61.98 62.48 2f0r s VAL 103 Cb 0.15 -0.38 0.16 0.00 0.00 0.00 0.00 36.38 36.31 2f0r s VAL 103 CO 0.21 0.09 1.05 -0.90 0.00 0.00 0.00 175.10 175.55 2f0r n ASP 104 N 5.33 1.10 0.10 3.32 5.68 -0.88 -1.27 116.55 129.92 2f0r n ASP 104 Ca -0.05 -2.00 0.11 0.00 -0.50 0.00 0.00 54.79 52.35 2f0r n ASP 104 Cb 0.50 -0.71 0.45 0.00 -1.14 0.00 0.00 41.12 40.21 2f0r n ASP 104 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2f0r n ALA 105 N -3.09 1.67 0.94 2.12 0.00 -1.26 -0.59 120.51 120.31 2f0r n ALA 105 Ca -0.17 0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.44 2f0r n ALA 105 Cb 0.58 -1.35 0.20 0.00 0.00 0.00 0.00 19.45 18.88 2f0r n ALA 105 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2f0r n ASN 106 N -2.05 0.56 0.00 0.00 3.02 -1.26 -4.94 115.26 110.58 2f0r n ASN 106 Ca 0.02 -0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.30 2f0r n ASN 106 Cb 0.22 0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.72 2f0r n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2f0r n GLY 107 N 1.48 0.75 3.77 7.41 0.00 0.24 -4.88 105.19 113.96 2f0r n GLY 107 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2f0r n GLY 107 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2f0r s LYS 108 N -0.39 4.12 -0.14 1.61 2.20 -1.26 -0.99 119.74 124.89 2f0r s LYS 108 Ca 0.00 2.56 -0.07 0.00 -0.36 0.00 0.00 55.97 58.10 2f0r s LYS 108 Cb 0.00 -3.00 -0.04 0.00 -1.51 0.00 0.00 37.83 33.28 2f0r s LYS 108 CO 0.00 -0.57 0.10 0.42 -0.36 0.00 0.00 175.35 174.94 2f0r s ILE 109 N -0.59 5.16 -0.17 5.43 1.01 -0.39 -2.07 121.20 129.58 2f0r s ILE 109 Ca 0.58 0.09 0.01 0.00 0.00 0.00 0.00 60.65 61.33 2f0r s ILE 109 Cb -0.47 -3.28 0.02 0.00 0.01 0.00 0.00 42.46 38.74 2f0r s ILE 109 CO 0.56 0.55 -0.20 -0.31 0.00 0.00 0.00 174.94 175.54 2f0r s TYR 110 N -0.45 2.69 0.00 3.97 1.51 -0.28 -4.71 117.35 120.09 2f0r s TYR 110 Ca 0.11 -1.54 -0.00 0.00 -1.01 0.00 0.00 57.07 54.63 2f0r s TYR 110 Cb -0.12 -1.86 -0.01 0.00 -0.11 0.00 0.00 41.96 39.86 2f0r s TYR 110 CO 0.02 -0.75 -0.01 -0.51 -1.11 0.00 0.00 175.55 173.19 2f0r s LEU 111 N 1.21 2.06 0.26 -1.29 1.43 -1.26 -4.40 118.68 116.68 2f0r s LEU 111 Ca 0.02 -0.14 -0.04 0.00 -1.03 0.00 0.00 54.13 52.95 2f0r s LEU 111 Cb -0.14 0.04 0.52 0.00 0.03 0.00 0.00 46.19 46.64 2f0r s LEU 111 CO -0.10 -0.08 1.66 -0.65 0.23 0.00 0.00 176.35 177.40 2f0r h PRO 112 N 5.73 0.20 -0.94 1.29 0.11 -2.00 -0.17 132.00 136.21 2f0r h PRO 112 Ca -0.26 -0.01 0.21 0.00 0.11 0.00 0.00 66.00 66.05 2f0r h PRO 112 Cb 1.21 -0.04 -0.12 0.00 0.11 0.00 0.00 31.00 32.16 2f0r h PRO 112 CO 0.48 0.13 0.49 -0.92 -0.21 0.00 0.00 178.00 177.97 2f0r h TYR 113 N 0.20 0.84 -0.13 0.65 3.20 -1.96 0.45 116.97 120.23 2f0r h TYR 113 Ca 0.45 0.04 -0.12 0.00 3.14 0.00 0.00 58.73 62.24 2f0r h TYR 113 Cb 0.82 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.86 2f0r h TYR 113 CO -0.31 0.06 -0.37 -0.07 -1.64 0.00 0.00 178.16 175.83 2f0r h LEU 114 N 0.54 0.56 -1.30 2.82 3.38 -1.74 -2.58 115.31 116.99 2f0r h LEU 114 Ca 0.57 -0.59 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2f0r h LEU 114 Cb 1.03 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 2f0r h LEU 114 CO -0.47 1.05 0.25 -0.74 0.09 0.00 0.00 178.44 178.63 2f0r h HIS 115 N 0.09 0.73 -0.61 1.13 2.76 0.26 -2.63 115.15 116.88 2f0r h HIS 115 Ca -0.01 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 2f0r h HIS 115 Cb 0.99 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.72 2f0r h HIS 115 CO 0.11 0.54 0.00 0.39 -1.30 0.00 0.00 177.93 177.66 2f0r n GLU 116 N -4.38 2.63 -1.64 5.26 1.02 0.15 -5.00 120.64 118.68 2f0r n GLU 116 Ca 0.04 -2.51 -0.51 0.00 -0.02 0.00 0.00 57.16 54.16 2f0r n GLU 116 Cb 0.12 -1.55 -0.06 0.00 -0.02 0.00 0.00 31.44 29.94 2f0r n GLU 116 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 2f0r n TRP 117 N 1.59 1.86 -3.47 -0.32 -0.00 -0.97 -4.96 117.44 111.16 2f0r n TRP 117 Ca 0.23 0.48 -0.15 0.00 -0.00 0.00 0.00 57.50 58.05 2f0r n TRP 117 Cb 0.61 -2.43 -0.11 0.00 -0.00 0.00 0.00 31.31 29.38 2f0r n TRP 117 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 2f0r s LYS 118 N 1.39 0.23 0.28 5.87 2.20 -1.26 -4.90 119.74 123.55 2f0r s LYS 118 Ca 0.86 0.37 -0.29 0.00 -0.36 0.00 0.00 55.97 56.54 2f0r s LYS 118 Cb -0.88 -0.85 -0.10 0.00 -1.51 0.00 0.00 37.83 34.48 2f0r s LYS 118 CO 0.48 -0.61 1.39 -1.58 -0.36 0.00 0.00 175.35 174.68 2f0r s HIS 119 N 2.40 3.02 -0.39 4.03 5.65 -1.26 -1.05 115.29 127.69 2f0r s HIS 119 Ca 0.08 1.17 0.15 0.00 0.25 0.00 0.00 55.06 56.71 2f0r s HIS 119 Cb -0.15 -3.77 0.75 0.00 -1.18 0.00 0.00 32.58 28.22 2f0r s HIS 119 CO -0.13 -2.38 1.67 -0.35 -0.65 0.00 0.00 174.74 172.90 2f0r n PRO 120 N 1.77 4.35 -0.02 2.88 -0.04 -1.26 -4.93 135.00 137.75 2f0r n PRO 120 Ca 0.04 -3.05 0.13 0.00 -0.04 0.00 0.00 63.50 60.58 2f0r n PRO 120 Cb 0.41 -2.12 0.58 0.00 -0.04 0.00 0.00 33.50 32.33 2f0r n PRO 120 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2f0r n GLN 121 N 0.50 1.46 -4.50 0.54 6.02 -0.21 -4.73 117.38 116.46 2f0r n GLN 121 Ca 0.26 -0.67 -0.20 0.00 -0.01 0.00 0.00 57.00 56.38 2f0r n GLN 121 Cb 1.09 -1.44 -0.15 0.00 1.02 0.00 0.00 30.24 30.76 2f0r n GLN 121 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2f0r s SER 122 N -1.84 1.40 0.33 1.08 0.01 -0.82 -4.89 113.70 108.96 2f0r s SER 122 Ca 0.37 -0.24 -0.04 0.00 1.31 0.00 0.00 55.95 57.35 2f0r s SER 122 Cb 0.19 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.28 2f0r s SER 122 CO 0.31 0.13 0.47 1.51 0.41 0.00 0.00 173.24 176.07 2f0r s ASP 123 N -0.38 0.72 0.21 2.44 -4.77 -1.26 -4.54 116.67 109.09 2f0r s ASP 123 Ca 0.04 -1.40 -0.05 0.00 -3.30 0.00 0.00 52.55 47.84 2f0r s ASP 123 Cb -0.05 0.65 0.16 0.00 -1.09 0.00 0.00 42.92 42.59 2f0r s ASP 123 CO -0.00 -1.27 1.62 -0.07 0.70 0.00 0.00 175.17 176.15 2f0r h LEU 124 N 2.15 0.83 -0.64 2.11 3.38 -1.99 -1.34 115.31 119.81 2f0r h LEU 124 Ca -0.28 -0.29 -0.13 0.00 0.09 0.00 0.00 57.88 57.26 2f0r h LEU 124 Cb 1.24 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2f0r h LEU 124 CO 0.39 1.01 -0.33 -0.07 0.09 0.00 0.00 178.44 179.53 2f0r h LEU 125 N 0.72 0.73 -0.49 1.67 3.38 -1.98 -0.97 115.31 118.37 2f0r h LEU 125 Ca 0.10 -0.30 -0.11 0.00 0.09 0.00 0.00 57.88 57.66 2f0r h LEU 125 Cb 0.72 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2f0r h LEU 125 CO 0.06 1.00 -0.11 1.23 0.09 0.00 0.00 178.44 180.70 2f0r h GLY 126 N 0.97 1.02 0.83 0.83 0.00 -1.92 -1.65 103.07 103.16 2f0r h GLY 126 Ca 0.06 -0.84 -0.04 0.00 0.00 0.00 0.00 47.33 46.51 2f0r h GLY 126 CO 0.07 0.77 -0.02 -2.00 0.00 0.00 0.00 176.54 175.36 2f0r h LEU 127 N 0.79 0.41 -0.49 3.11 5.85 -1.11 -1.91 115.31 121.96 2f0r h LEU 127 Ca 0.12 -0.34 0.07 0.00 0.84 0.00 0.00 57.88 58.58 2f0r h LEU 127 Cb 0.67 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 2f0r h LEU 127 CO 0.05 0.65 0.15 0.40 -0.34 0.00 0.00 178.44 179.34 2f0r h ILE 128 N 0.16 0.79 -0.65 4.05 2.04 -1.17 0.25 117.51 122.98 2f0r h ILE 128 Ca 0.06 -0.10 0.11 0.00 1.00 0.00 0.00 64.86 65.92 2f0r h ILE 128 Cb 0.45 0.46 -0.08 0.00 -0.74 0.00 0.00 36.82 36.91 2f0r h ILE 128 CO 0.02 0.06 0.25 1.56 0.00 0.00 0.00 178.15 180.03 2f0r h GLN 129 N 0.30 0.41 -0.76 2.37 1.08 -1.02 0.19 115.11 117.67 2f0r h GLN 129 Ca 0.24 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.41 2f0r h GLN 129 Cb 0.28 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.59 2f0r h GLN 129 CO -0.27 0.27 0.44 0.28 -0.95 0.00 0.00 178.83 178.60 2f0r h VAL 130 N 0.42 1.22 -0.46 -0.54 2.07 -0.65 -2.26 116.25 116.05 2f0r h VAL 130 Ca 0.34 -0.52 -0.07 0.00 0.82 0.00 0.00 66.70 67.27 2f0r h VAL 130 Cb 0.44 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 2f0r h VAL 130 CO -0.34 0.24 0.00 0.24 0.02 0.00 0.00 177.57 177.74 2f0r h MET 131 N 1.05 0.76 -0.31 1.57 2.86 -0.08 -0.74 114.93 120.04 2f0r h MET 131 Ca 0.27 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 2f0r h MET 131 Cb -0.01 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 2f0r h MET 131 CO -0.05 0.77 0.13 0.82 1.06 0.00 0.00 176.91 179.64 2f0r h ILE 132 N 0.71 1.17 0.26 -1.22 2.04 -0.65 0.91 117.51 120.73 2f0r h ILE 132 Ca 0.14 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 2f0r h ILE 132 Cb 0.43 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 2f0r h ILE 132 CO 0.02 0.18 -0.13 0.58 0.00 0.00 0.00 178.15 178.80 2f0r h VAL 133 N 0.36 0.79 -0.57 1.67 2.07 -0.94 -0.67 116.25 118.95 2f0r h VAL 133 Ca 0.10 -0.39 0.05 0.00 0.82 0.00 0.00 66.70 67.28 2f0r h VAL 133 Cb 0.16 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 2f0r h VAL 133 CO -0.01 0.09 0.31 0.58 0.02 0.00 0.00 177.57 178.55 2f0r h VAL 134 N -0.56 0.97 0.00 2.57 2.07 -1.11 -1.83 116.25 118.36 2f0r h VAL 134 Ca -0.04 -0.20 -0.09 0.00 0.82 0.00 0.00 66.70 67.19 2f0r h VAL 134 Cb 0.41 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2f0r h VAL 134 CO 0.06 0.11 -0.44 -0.26 0.02 0.00 0.00 177.57 177.06 2f0r h PHE 135 N 0.59 0.00 0.00 1.57 0.04 -0.81 0.12 116.94 118.45 2f0r h PHE 135 Ca 0.25 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.90 2f0r h PHE 135 Cb 0.14 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.27 2f0r h PHE 135 CO -0.09 0.44 -0.59 0.78 -0.60 0.00 0.00 178.31 178.25 2f0r h GLY 136 N 2.91 0.00 1.25 -1.45 0.00 -0.95 -1.23 103.07 103.60 2f0r h GLY 136 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.00 2f0r h GLY 136 CO 0.06 0.00 -1.41 -0.55 0.00 0.00 0.00 176.54 174.64 2f0r h ASP 137 N 0.00 0.87 -2.58 0.19 3.32 -1.00 -3.43 116.42 113.79 2f0r h ASP 137 Ca -0.01 -0.89 -0.58 0.00 0.02 0.00 0.00 57.03 55.57 2f0r h ASP 137 Cb 1.11 -0.28 -0.39 0.00 0.22 0.00 0.00 39.33 40.00 2f0r h ASP 137 CO 0.08 1.69 -0.87 -1.61 -1.72 0.00 0.00 179.24 176.80 2f0r s GLU 138 N -2.72 0.65 0.06 3.56 2.02 -0.00 -5.11 118.70 117.15 2f0r s GLU 138 Ca -0.09 -1.52 -0.36 0.00 0.02 0.00 0.00 54.97 53.03 2f0r s GLU 138 Cb 0.04 -1.37 -0.15 0.00 0.10 0.00 0.00 34.13 32.76 2f0r s GLU 138 CO 0.94 -1.24 1.54 -2.30 0.02 0.00 0.00 175.26 174.22 2f0r n PRO 139 N 3.78 1.68 0.00 0.39 -0.02 -0.47 -4.37 135.00 135.99 2f0r n PRO 139 Ca 0.15 0.61 0.13 0.00 -2.02 0.00 0.00 63.50 62.38 2f0r n PRO 139 Cb 0.39 -2.33 0.50 0.00 -0.02 0.00 0.00 33.50 32.04 2f0r n PRO 139 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2f0r n PRO 140 N 3.66 0.22 -4.38 0.52 -0.04 -1.26 -4.73 135.00 128.99 2f0r n PRO 140 Ca 0.19 -0.07 -0.19 0.00 -0.04 0.00 0.00 63.50 63.39 2f0r n PRO 140 Cb 0.24 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.06 2f0r n PRO 140 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2f0r s VAL 141 N -2.83 0.86 0.15 0.52 -7.23 -1.26 -0.67 120.40 109.94 2f0r s VAL 141 Ca 0.18 -0.63 0.08 0.00 -1.81 0.00 0.00 61.98 59.80 2f0r s VAL 141 Cb 0.19 -0.75 -0.04 0.00 0.56 0.00 0.00 36.38 36.34 2f0r s VAL 141 CO 0.56 0.12 -0.08 -0.36 -0.31 0.00 0.00 175.10 175.04 2f0r s PHE 142 N -0.49 2.72 0.00 2.82 0.08 -0.17 -4.91 117.98 118.04 2f0r s PHE 142 Ca 0.02 -0.18 0.00 0.00 0.12 0.00 0.00 56.93 56.90 2f0r s PHE 142 Cb -0.05 -1.37 0.00 0.00 -0.57 0.00 0.00 43.02 41.03 2f0r s PHE 142 CO 0.00 0.47 0.20 -1.13 -0.10 0.00 0.00 175.22 174.67 2f0r n SER 143 N 0.31 0.10 -3.47 1.36 3.41 -1.26 -0.79 113.62 113.28 2f0r n SER 143 Ca -0.12 -1.02 -0.12 0.00 -0.26 0.00 0.00 58.87 57.35 2f0r n SER 143 Cb 0.54 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.46 2f0r n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2f0r s ARG 144 N -0.02 1.22 0.00 4.33 1.70 -1.26 -4.98 118.95 119.94 2f0r s ARG 144 Ca 0.00 -0.47 0.28 0.00 -0.47 0.00 0.00 55.73 55.08 2f0r s ARG 144 Cb 0.00 0.56 1.68 0.00 -0.57 0.00 0.00 34.95 36.62 2f0r s ARG 144 CO 0.00 -0.52 2.03 -0.35 -1.08 0.00 0.00 175.30 175.38