#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mse s SER 2 N 0.00 6.52 0.55 4.38 1.04 -1.26 -4.89 113.70 120.04 3mse s SER 2 Ca 0.00 2.89 0.22 0.00 0.48 0.00 0.00 55.95 59.54 3mse s SER 2 Cb 0.00 -2.66 1.49 0.00 0.10 0.00 0.00 66.02 64.96 3mse s SER 2 CO 0.00 -0.74 2.18 -0.65 0.98 0.00 0.00 173.24 175.01 3mse h PRO 3 N 3.36 0.00 0.00 4.02 0.11 -2.05 -1.96 132.00 135.47 3mse h PRO 3 Ca -0.50 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 3mse h PRO 3 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 3mse h PRO 3 CO 0.66 0.00 -0.44 -0.91 -0.21 0.00 0.00 178.00 177.10 3mse h ASN 4 N 0.00 0.00 -0.16 -2.05 2.35 -1.98 0.46 115.58 114.19 3mse h ASN 4 Ca 0.01 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.57 3mse h ASN 4 Cb 0.06 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.44 3mse h ASN 4 CO -0.00 0.44 -0.65 0.58 -1.65 0.00 0.00 177.43 176.15 3mse h VAL 5 N 0.00 1.30 -0.43 2.81 2.07 -1.74 -1.86 116.25 118.41 3mse h VAL 5 Ca -0.00 -1.87 -0.01 0.00 0.82 0.00 0.00 66.70 65.63 3mse h VAL 5 Cb 1.01 1.98 -0.02 0.00 -1.52 0.00 0.00 31.29 32.74 3mse h VAL 5 CO 0.06 0.59 0.22 -0.07 0.02 0.00 0.00 177.57 178.39 3mse h LEU 6 N 0.43 0.54 -1.08 2.57 3.38 -1.26 -1.17 115.31 118.73 3mse h LEU 6 Ca -0.04 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 3mse h LEU 6 Cb 1.28 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 3mse h LEU 6 CO 0.14 0.49 -0.11 0.78 0.09 0.00 0.00 178.44 179.83 3mse h ASN 7 N 0.55 0.50 -0.12 -0.43 2.35 -0.97 -1.73 115.58 115.74 3mse h ASN 7 Ca 0.15 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3mse h ASN 7 Cb 0.08 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 3mse h ASN 7 CO -0.02 0.65 0.06 0.78 -1.65 0.00 0.00 177.43 177.25 3mse h ASN 8 N 0.48 0.15 -0.68 5.81 2.35 -0.95 -1.33 115.58 121.41 3mse h ASN 8 Ca 0.09 -0.12 0.06 0.00 -0.55 0.00 0.00 56.30 55.78 3mse h ASN 8 Cb 0.49 -0.04 -0.06 0.00 0.05 0.00 0.00 38.32 38.76 3mse h ASN 8 CO 0.03 0.23 0.38 0.24 -1.65 0.00 0.00 177.43 176.66 3mse h MET 9 N 0.07 0.68 -0.14 0.81 2.86 -0.97 0.04 114.93 118.28 3mse h MET 9 Ca 0.04 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 3mse h MET 9 Cb 0.12 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 3mse h MET 9 CO -0.01 0.45 -0.22 0.87 1.06 0.00 0.00 176.91 179.06 3mse h LYS 10 N 0.70 0.24 -0.06 1.72 1.57 -1.13 -0.89 116.57 118.71 3mse h LYS 10 Ca 0.31 -0.07 -0.25 0.00 -1.87 0.00 0.00 60.65 58.76 3mse h LYS 10 Cb 0.19 -0.02 0.02 0.00 0.08 0.00 0.00 32.23 32.49 3mse h LYS 10 CO -0.18 0.46 -0.94 0.77 -0.57 0.00 0.00 179.45 178.98 3mse h SER 11 N 0.22 0.91 -0.71 0.86 0.02 -0.75 -3.31 113.55 110.79 3mse h SER 11 Ca 0.04 -0.68 0.01 0.00 -0.84 0.00 0.00 61.79 60.32 3mse h SER 11 Cb 0.52 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 3mse h SER 11 CO 0.04 1.48 0.47 0.22 -1.14 0.00 0.00 176.83 177.89 3mse h TYR 12 N 0.45 0.88 0.00 3.45 3.20 -0.51 -2.61 116.97 121.83 3mse h TYR 12 Ca -0.10 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.79 3mse h TYR 12 Cb 1.58 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 39.56 3mse h TYR 12 CO 0.09 0.54 -0.00 0.00 -1.64 0.00 0.00 178.16 177.16 3mse h MET 13 N 0.94 0.00 0.00 1.82 -0.00 -1.27 -2.15 114.93 114.27 3mse h MET 13 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.97 3mse h MET 13 Cb -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.52 3mse h MET 13 CO -0.07 0.00 -0.33 1.63 -0.00 0.00 0.00 176.91 178.14 3mse n LYS 14 N -3.16 0.04 -2.93 -0.10 5.02 -0.98 -4.92 118.16 111.13 3mse n LYS 14 Ca -0.03 0.02 -0.21 0.00 -2.02 0.00 0.00 58.31 56.07 3mse n LYS 14 Cb 0.08 -1.53 0.02 0.00 -0.02 0.00 0.00 35.03 33.58 3mse n LYS 14 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3mse s HIS 15 N -3.02 3.06 0.76 2.13 3.76 -0.81 -5.08 115.29 116.08 3mse s HIS 15 Ca 0.11 0.05 -0.11 0.00 -0.15 0.00 0.00 55.06 54.97 3mse s HIS 15 Cb 0.17 -2.43 0.05 0.00 1.11 0.00 0.00 32.58 31.48 3mse s HIS 15 CO 0.64 -0.49 1.08 -1.54 -0.85 0.00 0.00 174.74 173.58 3mse s SER 16 N -4.29 4.73 0.25 1.40 1.04 -1.26 -4.89 113.70 110.68 3mse s SER 16 Ca 0.51 1.72 -0.06 0.00 0.48 0.00 0.00 55.95 58.60 3mse s SER 16 Cb -0.10 -2.48 0.25 0.00 0.10 0.00 0.00 66.02 63.79 3mse s SER 16 CO 0.37 -1.87 1.92 0.78 0.98 0.00 0.00 173.24 175.42 3mse h ASN 17 N -1.02 1.14 -0.42 7.02 2.35 -1.97 -1.91 115.58 120.77 3mse h ASN 17 Ca -0.44 -0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.23 3mse h ASN 17 Cb 1.23 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 39.30 3mse h ASN 17 CO 0.54 0.83 0.07 0.40 -1.65 0.00 0.00 177.43 177.62 3mse h ILE 18 N 1.34 1.24 -0.52 2.81 2.04 -1.95 0.23 117.51 122.71 3mse h ILE 18 Ca 0.36 -0.87 0.08 0.00 1.00 0.00 0.00 64.86 65.43 3mse h ILE 18 Cb -0.15 1.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.87 3mse h ILE 18 CO -0.08 0.30 0.16 -0.09 0.00 0.00 0.00 178.15 178.44 3mse h ARG 19 N 0.55 0.31 -0.01 2.37 1.12 -1.90 -1.60 114.38 115.21 3mse h ARG 19 Ca 0.13 -0.02 -0.14 0.00 -1.11 0.00 0.00 59.98 58.84 3mse h ARG 19 Cb 0.37 -0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 30.24 3mse h ARG 19 CO 0.01 0.20 -0.67 -0.91 -3.11 0.00 0.00 179.97 175.49 3mse h ASN 20 N 0.32 0.05 -0.36 -3.80 2.35 -0.92 -0.35 115.58 112.88 3mse h ASN 20 Ca 0.25 -0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.98 3mse h ASN 20 Cb 0.31 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 3mse h ASN 20 CO -0.28 0.70 0.22 0.40 -1.65 0.00 0.00 177.43 176.82 3mse h ILE 21 N 0.03 1.07 -0.70 2.81 2.04 -0.21 0.28 117.51 122.84 3mse h ILE 21 Ca -0.01 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 65.74 3mse h ILE 21 Cb 1.18 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 37.79 3mse h ILE 21 CO 0.09 0.08 0.42 0.40 0.00 0.00 0.00 178.15 179.14 3mse h ILE 22 N 0.46 1.05 -0.89 -0.67 2.04 -1.01 -1.48 117.51 117.00 3mse h ILE 22 Ca 0.13 -0.28 0.04 0.00 1.00 0.00 0.00 64.86 65.76 3mse h ILE 22 Cb -0.03 0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 36.17 3mse h ILE 22 CO -0.04 0.15 0.57 0.40 0.00 0.00 0.00 178.15 179.22 3mse h ILE 23 N 0.80 1.13 -0.43 -0.67 1.08 -0.57 -2.66 117.51 116.19 3mse h ILE 23 Ca 0.29 -0.38 -0.00 0.00 -0.39 0.00 0.00 64.86 64.39 3mse h ILE 23 Cb 0.09 -0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 33.75 3mse h ILE 23 CO -0.14 0.20 0.26 0.78 -0.69 0.00 0.00 178.15 178.57 3mse h ASN 24 N 1.10 0.50 -0.05 1.72 2.35 0.09 0.83 115.58 122.12 3mse h ASN 24 Ca 0.36 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 56.10 3mse h ASN 24 Cb 0.04 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 3mse h ASN 24 CO -0.13 0.38 -0.01 0.40 -1.65 0.00 0.00 177.43 176.42 3mse h ILE 25 N 0.58 0.94 -0.53 2.81 2.04 -1.09 0.11 117.51 122.38 3mse h ILE 25 Ca 0.15 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.97 3mse h ILE 25 Cb -0.03 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 3mse h ILE 25 CO -0.03 0.00 0.16 0.24 0.00 0.00 0.00 178.15 178.52 3mse h MET 26 N -0.00 0.79 -0.59 2.37 2.86 -1.27 -2.67 114.93 116.41 3mse h MET 26 Ca 0.03 -0.14 -0.05 0.00 -2.06 0.00 0.00 59.70 57.47 3mse h MET 26 Cb 0.04 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 3mse h MET 26 CO -0.06 0.68 0.15 0.00 1.06 0.00 0.00 176.91 178.75 3mse h ALA 27 N 1.41 1.16 -0.68 6.32 0.00 -0.40 -1.81 119.26 125.27 3mse h ALA 27 Ca 0.18 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3mse h ALA 27 Cb 0.23 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3mse h ALA 27 CO -0.01 0.57 0.42 1.25 0.00 0.00 0.00 179.25 181.49 3mse h HIS 28 N 0.88 0.88 -0.82 0.00 6.17 -0.66 -1.77 115.15 119.84 3mse h HIS 28 Ca 0.19 0.01 0.03 0.00 0.71 0.00 0.00 60.37 61.31 3mse h HIS 28 Cb 0.30 -0.29 -0.05 0.00 2.52 0.00 0.00 27.41 29.89 3mse h HIS 28 CO 0.02 0.58 0.53 1.49 0.71 0.00 0.00 177.93 181.26 3mse h GLU 29 N 0.92 1.00 -0.66 5.26 4.81 -1.16 -1.65 114.58 123.10 3mse h GLU 29 Ca 0.24 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.38 3mse h GLU 29 Cb -0.06 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.07 3mse h GLU 29 CO -0.05 0.66 0.26 -0.07 -0.73 0.00 0.00 179.01 179.08 3mse h LEU 30 N 1.03 0.89 -0.70 1.64 3.38 -0.98 -0.15 115.31 120.42 3mse h LEU 30 Ca 0.32 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3mse h LEU 30 Cb -0.01 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 3mse h LEU 30 CO -0.11 0.80 0.44 -1.28 0.09 0.00 0.00 178.44 178.38 3mse h SER 31 N 0.95 0.82 0.28 -0.43 0.87 -0.85 0.49 113.55 115.68 3mse h SER 31 Ca 0.22 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 3mse h SER 31 Cb 0.19 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 3mse h SER 31 CO -0.02 0.61 -0.14 0.58 -0.53 0.00 0.00 176.83 177.34 3mse h VAL 32 N 0.95 0.76 -0.50 2.23 2.07 -0.32 -0.55 116.25 120.88 3mse h VAL 32 Ca 0.25 -0.41 0.10 0.00 0.82 0.00 0.00 66.70 67.46 3mse h VAL 32 Cb -0.07 0.99 -0.09 0.00 -1.52 0.00 0.00 31.29 30.59 3mse h VAL 32 CO -0.05 0.09 -0.07 0.40 0.02 0.00 0.00 177.57 177.95 3mse h ILE 33 N -0.60 0.54 0.00 4.57 2.04 -1.04 -1.82 117.51 121.20 3mse h ILE 33 Ca -0.04 -0.02 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 3mse h ILE 33 Cb 0.43 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3mse h ILE 33 CO 0.06 0.01 -0.21 -1.13 0.00 0.00 0.00 178.15 176.88 3mse h ASN 34 N 0.04 0.00 -0.22 1.72 -0.73 -0.68 -1.59 115.58 114.12 3mse h ASN 34 Ca 0.25 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 58.37 3mse h ASN 34 Cb 0.38 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.96 3mse h ASN 34 CO -0.48 0.21 -0.05 0.78 -0.37 0.00 0.00 177.43 177.52 3mse h ASN 35 N 0.00 0.43 -0.26 1.15 2.35 -0.25 -0.51 115.58 118.49 3mse h ASN 35 Ca -0.00 -0.36 0.05 0.00 -0.55 0.00 0.00 56.30 55.43 3mse h ASN 35 Cb 0.39 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.59 3mse h ASN 35 CO 0.03 0.70 -0.03 0.45 -1.65 0.00 0.00 177.43 176.93 3mse h HIS 36 N 0.17 -0.06 -0.70 1.19 3.86 -1.04 -1.70 115.15 116.87 3mse h HIS 36 Ca 0.06 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 3mse h HIS 36 Cb 0.50 0.07 -0.03 0.00 1.06 0.00 0.00 27.41 29.01 3mse h HIS 36 CO 0.05 -0.07 0.39 0.82 0.86 0.00 0.00 177.93 179.98 3mse h ILE 37 N 0.05 1.20 -0.46 2.45 2.04 -1.26 -1.84 117.51 119.69 3mse h ILE 37 Ca 0.13 -0.50 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 3mse h ILE 37 Cb 0.18 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 3mse h ILE 37 CO -0.24 0.22 0.28 0.50 0.00 0.00 0.00 178.15 178.92 3mse h LYS 38 N 0.97 0.63 -0.06 2.37 3.64 -0.57 0.20 116.57 123.74 3mse h LYS 38 Ca 0.25 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.59 3mse h LYS 38 Cb 0.01 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 3mse h LYS 38 CO -0.04 0.46 -0.05 -0.92 -2.27 0.00 0.00 179.45 176.62 3mse h TYR 39 N 0.62 -0.13 -0.80 1.91 3.20 -0.79 0.36 116.97 121.35 3mse h TYR 39 Ca 0.17 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.12 3mse h TYR 39 Cb -0.01 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.28 3mse h TYR 39 CO -0.03 -0.09 0.52 0.82 -1.64 0.00 0.00 178.16 177.75 3mse h ILE 40 N -0.07 1.00 -0.51 1.81 2.04 -1.06 0.12 117.51 120.84 3mse h ILE 40 Ca 0.05 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 3mse h ILE 40 Cb 0.13 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.30 3mse h ILE 40 CO -0.11 0.15 0.20 0.78 0.00 0.00 0.00 178.15 179.17 3mse h ASN 41 N 0.82 0.71 0.00 1.72 2.35 0.31 0.55 115.58 122.04 3mse h ASN 41 Ca 0.36 -0.18 -0.14 0.00 -0.55 0.00 0.00 56.30 55.79 3mse h ASN 41 Cb 0.32 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 3mse h ASN 41 CO -0.13 0.69 -0.46 -0.33 -1.65 0.00 0.00 177.43 175.55 3mse h GLU 42 N 0.68 0.54 -0.09 0.81 4.39 -0.01 -2.24 114.58 118.67 3mse h GLU 42 Ca 0.17 -0.30 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 3mse h GLU 42 Cb 0.21 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 3mse h GLU 42 CO -0.01 0.89 0.04 1.25 -1.16 0.00 0.00 179.01 180.02 3mse h LEU 43 N 0.43 0.12 -0.73 1.33 5.85 -0.54 -2.21 115.31 119.57 3mse h LEU 43 Ca 0.03 -0.12 0.09 0.00 0.84 0.00 0.00 57.88 58.72 3mse h LEU 43 Cb 0.98 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.91 3mse h LEU 43 CO 0.09 0.20 0.38 0.15 -0.34 0.00 0.00 178.44 178.92 3mse h PHE 44 N 0.03 0.69 -0.70 1.25 3.57 -0.81 -1.47 116.94 119.50 3mse h PHE 44 Ca 0.03 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 3mse h PHE 44 Cb 0.12 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 3mse h PHE 44 CO -0.03 0.27 0.36 -0.92 -2.23 0.00 0.00 178.31 175.75 3mse h TYR 45 N 0.65 0.98 -0.43 0.41 3.20 -1.21 -1.86 116.97 118.71 3mse h TYR 45 Ca 0.36 -0.04 -0.11 0.00 3.14 0.00 0.00 58.73 62.08 3mse h TYR 45 Cb 0.35 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 3mse h TYR 45 CO -0.09 0.71 -0.17 0.87 -1.64 0.00 0.00 178.16 177.83 3mse h LYS 46 N 0.96 0.84 -0.08 1.82 1.57 -0.79 -3.15 116.57 117.73 3mse h LYS 46 Ca 0.24 -0.32 -0.12 0.00 -1.87 0.00 0.00 60.65 58.58 3mse h LYS 46 Cb 0.08 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3mse h LYS 46 CO -0.03 0.95 -0.49 -0.07 -0.57 0.00 0.00 179.45 179.23 3mse h LEU 47 N 0.74 0.23 -6.75 2.94 3.38 -1.00 -3.36 115.31 111.48 3mse h LEU 47 Ca 0.11 -0.11 -0.70 0.00 0.09 0.00 0.00 57.88 57.27 3mse h LEU 47 Cb 0.69 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.31 3mse h LEU 47 CO 0.05 0.68 2.69 -0.67 0.09 0.00 0.00 178.44 181.28 3mse n ASP 48 N -3.96 4.37 0.17 -0.43 2.03 -0.72 -4.76 116.55 113.24 3mse n ASP 48 Ca -0.02 -2.89 0.13 0.00 0.52 0.00 0.00 54.79 52.54 3mse n ASP 48 Cb 0.53 -1.68 0.51 0.00 -0.72 0.00 0.00 41.12 39.76 3mse n ASP 48 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 3mse h THR 49 N 4.57 0.00 -0.33 5.18 1.35 -1.81 -0.86 112.91 121.01 3mse h THR 49 Ca 0.51 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 66.00 3mse h THR 49 Cb 0.73 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 3mse h THR 49 CO 1.70 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 176.51 3mse n ASN 50 N -2.48 3.38 -4.10 5.36 6.94 -1.26 -4.99 115.26 118.11 3mse n ASN 50 Ca 0.02 -1.98 -0.30 0.00 -0.02 0.00 0.00 54.58 52.30 3mse n ASN 50 Cb 0.29 -0.21 -0.04 0.00 -2.36 0.00 0.00 39.78 37.46 3mse n ASN 50 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3mse n HIS 51 N 1.45 -1.62 -0.35 -2.53 8.25 -0.33 -4.86 115.22 115.24 3mse n HIS 51 Ca 0.18 0.74 0.10 0.00 -0.26 0.00 0.00 57.72 58.48 3mse n HIS 51 Cb 0.60 -3.33 0.28 0.00 1.12 0.00 0.00 29.99 28.66 3mse n HIS 51 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3mse n ASN 52 N -2.86 3.73 0.00 0.41 6.94 -1.26 -4.98 115.26 117.25 3mse n ASN 52 Ca -0.18 -2.05 0.00 0.00 -0.02 0.00 0.00 54.58 52.33 3mse n ASN 52 Cb 0.62 -0.43 0.00 0.00 -2.36 0.00 0.00 39.78 37.62 3mse n ASN 52 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3mse n GLY 53 N 1.26 0.64 3.20 4.83 0.00 -1.26 -4.98 105.19 108.88 3mse n GLY 53 Ca 0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 3mse n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mse s SER 54 N -2.42 0.23 -0.21 1.61 1.04 -1.26 -4.38 113.70 108.31 3mse s SER 54 Ca 0.00 -1.16 -0.03 0.00 0.48 0.00 0.00 55.95 55.23 3mse s SER 54 Cb 0.00 0.34 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 3mse s SER 54 CO 0.00 -0.79 -0.05 -0.76 0.98 0.00 0.00 173.24 172.62 3mse s LEU 55 N -3.05 2.88 0.82 2.42 1.43 0.51 -4.81 118.68 118.88 3mse s LEU 55 Ca 0.25 -0.38 -0.12 0.00 -1.03 0.00 0.00 54.13 52.85 3mse s LEU 55 Cb 0.06 -1.73 0.08 0.00 0.03 0.00 0.00 46.19 44.64 3mse s LEU 55 CO 0.03 0.01 1.13 -0.94 0.23 0.00 0.00 176.35 176.80 3mse s SER 56 N 1.32 4.35 0.17 2.29 1.04 -1.26 -0.09 113.70 121.51 3mse s SER 56 Ca 0.04 1.06 -0.15 0.00 0.48 0.00 0.00 55.95 57.39 3mse s SER 56 Cb -0.14 -1.71 0.08 0.00 0.10 0.00 0.00 66.02 64.35 3mse s SER 56 CO -0.02 -2.03 1.79 0.45 0.98 0.00 0.00 173.24 174.40 3mse h HIS 57 N -1.14 0.43 -0.82 5.02 -0.00 -1.99 -2.99 115.15 113.67 3mse h HIS 57 Ca -0.48 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 59.92 3mse h HIS 57 Cb 1.30 -0.13 -0.04 0.00 -0.00 0.00 0.00 27.41 28.54 3mse h HIS 57 CO 0.39 0.23 0.54 -0.09 -0.00 0.00 0.00 177.93 179.00 3mse h ARG 58 N 0.47 1.08 -0.84 2.45 2.43 -1.93 0.18 114.38 118.22 3mse h ARG 58 Ca 0.19 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.32 3mse h ARG 58 Cb 0.07 -0.24 -0.05 0.00 -0.42 0.00 0.00 29.97 29.33 3mse h ARG 58 CO -0.12 0.72 0.55 0.93 -1.51 0.00 0.00 179.97 180.53 3mse h GLU 59 N 1.11 1.05 0.02 0.20 5.08 -1.85 -1.37 114.58 118.82 3mse h GLU 59 Ca 0.30 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.44 3mse h GLU 59 Cb -0.13 -0.24 0.01 0.00 0.50 0.00 0.00 28.75 28.90 3mse h GLU 59 CO -0.06 0.69 -0.61 0.82 -1.00 0.00 0.00 179.01 178.85 3mse h ILE 60 N 1.08 1.44 -0.11 3.13 2.04 -1.35 -3.32 117.51 120.43 3mse h ILE 60 Ca 0.33 -2.13 0.04 0.00 1.00 0.00 0.00 64.86 64.10 3mse h ILE 60 Cb -0.04 2.68 -0.05 0.00 -0.74 0.00 0.00 36.82 38.67 3mse h ILE 60 CO -0.10 0.62 -0.19 0.22 0.00 0.00 0.00 178.15 178.70 3mse h TYR 61 N -0.15 -0.50 -0.06 1.37 5.03 -0.44 -0.53 116.97 121.70 3mse h TYR 61 Ca -0.08 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.22 3mse h TYR 61 Cb 1.34 0.24 -0.01 0.00 1.55 0.00 0.00 36.73 39.85 3mse h TYR 61 CO 0.15 -0.27 -0.14 0.00 -1.32 0.00 0.00 178.16 176.58 3mse h THR 62 N -0.25 1.13 0.11 1.81 1.03 -1.40 -0.40 112.91 114.94 3mse h THR 62 Ca 0.09 -0.62 -0.15 0.00 -0.01 0.00 0.00 66.41 65.73 3mse h THR 62 Cb 0.39 1.25 0.01 0.00 -1.07 0.00 0.00 68.15 68.73 3mse h THR 62 CO -0.26 0.18 -0.66 0.58 -0.01 0.00 0.00 175.52 175.36 3mse h VAL 63 N 0.08 1.55 -0.91 0.00 2.07 -1.52 -2.92 116.25 114.60 3mse h VAL 63 Ca 0.02 -2.48 0.03 0.00 0.82 0.00 0.00 66.70 65.09 3mse h VAL 63 Cb 0.30 3.22 -0.05 0.00 -1.52 0.00 0.00 31.29 33.24 3mse h VAL 63 CO 0.02 0.69 0.60 -0.07 0.02 0.00 0.00 177.57 178.83 3mse h LEU 64 N -0.53 0.99 -0.64 2.57 3.38 -0.83 -2.31 115.31 117.95 3mse h LEU 64 Ca -0.12 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.85 3mse h LEU 64 Cb 1.49 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.98 3mse h LEU 64 CO 0.11 0.68 0.41 0.00 0.09 0.00 0.00 178.44 179.73 3mse h ALA 65 N 1.46 0.82 0.00 1.53 0.00 -1.16 -2.07 119.26 119.84 3mse h ALA 65 Ca 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3mse h ALA 65 Cb 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3mse h ALA 65 CO -0.11 0.20 0.00 0.77 0.00 0.00 0.00 179.25 180.11 3mse h SER 66 N 0.83 0.00 -0.07 0.00 0.02 -1.21 -3.06 113.55 110.05 3mse h SER 66 Ca 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 3mse h SER 66 Cb -0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.49 3mse h SER 66 CO -0.07 0.00 0.00 0.52 -1.14 0.00 0.00 176.83 176.14 3mse n VAL 67 N -2.78 0.11 0.00 2.27 0.31 -0.96 -4.98 118.33 112.30 3mse n VAL 67 Ca 0.01 -0.55 0.00 0.00 -0.01 0.00 0.00 64.34 63.78 3mse n VAL 67 Cb 0.24 1.26 0.00 0.00 -0.91 0.00 0.00 33.84 34.43 3mse n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3mse n GLY 68 N 0.94 0.83 3.74 2.92 0.00 -1.07 -5.09 105.19 107.46 3mse n GLY 68 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3mse n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mse s ILE 69 N -2.00 3.90 0.37 -0.61 -1.09 -0.82 -5.01 121.20 115.94 3mse s ILE 69 Ca 0.00 1.66 -0.12 0.00 -2.23 0.00 0.00 60.65 59.95 3mse s ILE 69 Cb 0.00 -4.06 -0.07 0.00 -1.58 0.00 0.00 42.46 36.75 3mse s ILE 69 CO 0.00 0.29 0.76 -0.54 -1.23 0.00 0.00 174.94 174.22 3mse s LYS 70 N -0.41 3.86 0.27 2.79 -0.14 -1.26 -4.28 119.74 120.57 3mse s LYS 70 Ca 0.49 0.55 -0.09 0.00 -1.36 0.00 0.00 55.97 55.56 3mse s LYS 70 Cb -0.29 -2.40 0.42 0.00 -1.68 0.00 0.00 37.83 33.87 3mse s LYS 70 CO 0.35 0.04 1.57 -0.22 -0.76 0.00 0.00 175.35 176.33 3mse h LYS 71 N 1.64 -0.00 -0.32 1.68 3.64 -1.98 0.16 116.57 121.39 3mse h LYS 71 Ca -0.47 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.85 3mse h LYS 71 Cb 1.18 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 3mse h LYS 71 CO 0.64 -0.00 -0.06 0.11 -2.27 0.00 0.00 179.45 177.87 3mse h TRP 72 N -0.00 0.55 -0.09 1.91 0.09 -2.00 -1.14 115.95 115.27 3mse h TRP 72 Ca 0.45 -0.07 -0.11 0.00 0.09 0.00 0.00 58.89 59.25 3mse h TRP 72 Cb 0.68 -0.15 0.00 0.00 0.08 0.00 0.00 29.16 29.77 3mse h TRP 72 CO -0.72 0.58 -0.38 -0.44 0.09 0.00 0.00 178.44 177.57 3mse h ASP 73 N 0.49 0.49 -0.43 0.11 3.32 -1.18 -2.98 116.42 116.24 3mse h ASP 73 Ca 0.10 -0.63 0.06 0.00 0.02 0.00 0.00 57.03 56.58 3mse h ASP 73 Cb 0.41 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.77 3mse h ASP 73 CO 0.02 1.04 0.11 0.40 -1.72 0.00 0.00 179.24 179.10 3mse h ILE 74 N -0.03 0.81 -0.76 0.35 2.04 -0.59 0.01 117.51 119.34 3mse h ILE 74 Ca -0.02 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 3mse h ILE 74 Cb 1.02 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 3mse h ILE 74 CO 0.08 0.05 0.39 0.78 0.00 0.00 0.00 178.15 179.44 3mse h ASN 75 N 0.26 0.97 -0.32 1.72 2.35 -1.30 0.75 115.58 120.01 3mse h ASN 75 Ca 0.21 -0.10 -0.10 0.00 -0.55 0.00 0.00 56.30 55.76 3mse h ASN 75 Cb 0.23 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 3mse h ASN 75 CO -0.24 0.80 -0.14 0.03 -1.65 0.00 0.00 177.43 176.23 3mse h ARG 76 N 1.07 0.77 -0.33 0.81 3.08 -1.20 -1.74 114.38 116.84 3mse h ARG 76 Ca 0.27 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3mse h ARG 76 Cb 0.07 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3mse h ARG 76 CO -0.04 0.87 0.11 0.82 -1.07 0.00 0.00 179.97 180.66 3mse h ILE 77 N 0.69 1.20 0.01 2.04 2.04 -0.48 -2.12 117.51 120.89 3mse h ILE 77 Ca 0.11 -0.65 0.01 0.00 1.00 0.00 0.00 64.86 65.34 3mse h ILE 77 Cb 0.63 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 3mse h ILE 77 CO 0.04 0.22 -0.06 -0.07 0.00 0.00 0.00 178.15 178.29 3mse h LEU 78 N 0.38 -0.16 -0.32 1.44 3.38 -0.74 0.19 115.31 119.49 3mse h LEU 78 Ca 0.11 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.15 3mse h LEU 78 Cb 0.23 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.97 3mse h LEU 78 CO -0.00 -0.08 -0.54 1.56 0.09 0.00 0.00 178.44 179.46 3mse h GLN 79 N -0.10 -0.44 -0.69 1.13 4.20 -1.31 -0.81 115.11 117.09 3mse h GLN 79 Ca 0.02 0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.80 3mse h GLN 79 Cb 0.13 0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.96 3mse h GLN 79 CO -0.05 -0.29 0.42 0.00 -0.67 0.00 0.00 178.83 178.23 3mse h ALA 80 N -0.07 0.91 -0.28 3.87 0.00 -0.93 -2.40 119.26 120.36 3mse h ALA 80 Ca 0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3mse h ALA 80 Cb 0.62 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3mse h ALA 80 CO -0.54 0.16 0.06 -0.07 0.00 0.00 0.00 179.25 178.86 3mse h LEU 81 N 0.80 0.43 -6.31 0.00 3.38 -0.85 -3.35 115.31 109.41 3mse h LEU 81 Ca 0.29 -0.24 -0.69 0.00 0.09 0.00 0.00 57.88 57.33 3mse h LEU 81 Cb 0.08 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3mse h LEU 81 CO -0.13 0.56 2.84 -0.67 0.09 0.00 0.00 178.44 181.13 3mse n ASP 82 N -4.68 3.69 0.22 -0.43 -0.08 -0.32 -4.70 116.55 110.25 3mse n ASP 82 Ca -0.03 -2.81 0.09 0.00 -1.51 0.00 0.00 54.79 50.53 3mse n ASP 82 Cb 0.19 -1.57 0.51 0.00 2.34 0.00 0.00 41.12 42.59 3mse n ASP 82 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 3mse h ILE 83 N 4.29 0.72 -0.07 5.18 2.10 -1.73 -1.15 117.51 126.85 3mse h ILE 83 Ca 0.52 -1.04 0.00 0.00 1.08 0.00 0.00 64.86 65.43 3mse h ILE 83 Cb 0.67 1.65 0.00 0.00 -1.09 0.00 0.00 36.82 38.06 3mse h ILE 83 CO 1.85 0.24 0.00 0.59 -1.08 0.00 0.00 178.15 179.75 3mse n ASN 84 N -3.59 2.67 -2.54 2.19 3.02 -1.26 -4.97 115.26 110.77 3mse n ASN 84 Ca -0.01 -1.88 -0.20 0.00 -0.03 0.00 0.00 54.58 52.47 3mse n ASN 84 Cb 0.38 -0.03 -0.00 0.00 -0.61 0.00 0.00 39.78 39.52 3mse n ASN 84 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3mse n ASP 85 N 1.06 -5.53 -0.02 6.41 8.00 -0.44 -4.91 116.55 121.13 3mse n ASP 85 Ca 0.16 -0.03 0.13 0.00 0.71 0.00 0.00 54.79 55.76 3mse n ASP 85 Cb 0.54 -4.59 0.44 0.00 -0.02 0.00 0.00 41.12 37.48 3mse n ASP 85 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3mse n ARG 86 N -3.16 0.12 -0.78 -1.24 1.74 -1.26 -4.92 116.66 107.16 3mse n ARG 86 Ca -0.20 -0.05 0.00 0.00 -0.77 0.00 0.00 57.85 56.83 3mse n ARG 86 Cb 0.66 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 3mse n ARG 86 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mse n GLY 87 N 1.46 0.66 2.92 -0.13 0.00 -1.26 -4.96 105.19 103.89 3mse n GLY 87 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 3mse n GLY 87 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mse s ASN 88 N -2.64 1.04 -0.15 1.61 0.01 -1.26 -3.93 114.94 109.62 3mse s ASN 88 Ca 0.00 -0.15 -0.01 0.00 -0.71 0.00 0.00 52.86 51.99 3mse s ASN 88 Cb 0.00 -0.48 -0.01 0.00 0.41 0.00 0.00 41.25 41.17 3mse s ASN 88 CO 0.00 -0.03 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.82 3mse s ILE 89 N 0.78 3.10 0.71 0.60 1.01 0.87 -4.91 121.20 123.36 3mse s ILE 89 Ca -0.11 -0.63 -0.11 0.00 0.00 0.00 0.00 60.65 59.80 3mse s ILE 89 Cb -0.14 -2.33 0.02 0.00 0.01 0.00 0.00 42.46 40.03 3mse s ILE 89 CO 0.01 0.51 1.09 0.42 0.00 0.00 0.00 174.94 176.97 3mse s THR 90 N 0.60 3.34 0.20 2.92 -4.23 -1.26 -0.36 115.64 116.85 3mse s THR 90 Ca -0.07 0.40 -0.12 0.00 -1.18 0.00 0.00 61.69 60.72 3mse s THR 90 Cb -0.15 -3.42 0.15 0.00 1.34 0.00 0.00 72.50 70.42 3mse s THR 90 CO 0.03 -0.55 1.68 0.22 -0.54 0.00 0.00 174.62 175.46 3mse h TYR 91 N -0.67 0.00 -0.59 3.99 3.20 -1.98 -0.45 116.97 120.48 3mse h TYR 91 Ca -0.45 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.44 3mse h TYR 91 Cb 1.26 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.59 3mse h TYR 91 CO 0.48 -0.11 0.30 1.15 -1.64 0.00 0.00 178.16 178.34 3mse h THR 92 N 0.14 1.20 -0.37 1.81 2.02 -1.97 -0.95 112.91 114.80 3mse h THR 92 Ca 0.28 -0.55 -0.08 0.00 0.77 0.00 0.00 66.41 66.82 3mse h THR 92 Cb 0.43 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 3mse h THR 92 CO -0.44 0.23 -0.11 -0.33 0.37 0.00 0.00 175.52 175.23 3mse h GLU 93 N 0.80 0.65 -0.21 6.66 5.08 -1.78 -1.38 114.58 124.39 3mse h GLU 93 Ca 0.20 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 3mse h GLU 93 Cb 0.09 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3mse h GLU 93 CO -0.03 0.74 -0.08 0.35 -1.00 0.00 0.00 179.01 178.99 3mse h PHE 94 N 0.59 0.49 -0.06 4.33 3.04 -0.92 -3.15 116.94 121.27 3mse h PHE 94 Ca 0.10 -0.12 -0.12 0.00 3.98 0.00 0.00 57.97 61.82 3mse h PHE 94 Cb 0.54 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.92 3mse h PHE 94 CO 0.02 0.70 -0.52 0.00 -2.02 0.00 0.00 178.31 176.49 3mse h MET 95 N 0.14 0.15 -0.85 1.11 -0.00 -1.06 -2.40 114.93 112.03 3mse h MET 95 Ca 0.05 -0.09 0.07 0.00 -0.00 0.00 0.00 59.70 59.74 3mse h MET 95 Cb 0.56 0.01 -0.06 0.00 -0.00 0.00 0.00 31.60 32.11 3mse h MET 95 CO 0.03 0.64 0.55 0.00 -0.00 0.00 0.00 176.91 178.13 3mse h ALA 96 N 1.34 1.61 0.00 -3.00 0.00 -1.22 -1.75 119.26 116.24 3mse h ALA 96 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3mse h ALA 96 Cb 0.97 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3mse h ALA 96 CO 0.08 0.25 -0.52 0.78 0.00 0.00 0.00 179.25 179.84 3mse h GLY 97 N 0.90 0.00 0.38 0.00 0.00 -1.41 -3.35 103.07 99.59 3mse h GLY 97 Ca 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.64 3mse h GLY 97 CO -0.14 0.00 -1.72 0.00 0.00 0.00 0.00 176.54 174.68 3mse s TYR 99 N -3.27 3.80 -0.62 0.00 5.04 -0.69 -5.01 117.35 116.59 3mse s TYR 99 Ca -0.06 1.40 -0.28 0.00 -2.44 0.00 0.00 57.07 55.69 3mse s TYR 99 Cb 0.11 -2.65 0.03 0.00 0.35 0.00 0.00 41.96 39.80 3mse s TYR 99 CO 0.86 0.47 1.24 0.50 -1.34 0.00 0.00 175.55 177.27 3mse s ARG 100 N -0.75 3.41 0.27 4.97 3.52 -1.26 -4.89 118.95 124.22 3mse s ARG 100 Ca 0.33 0.14 0.25 0.00 -0.13 0.00 0.00 55.73 56.32 3mse s ARG 100 Cb -0.20 -4.07 0.66 0.00 -1.56 0.00 0.00 34.95 29.78 3mse s ARG 100 CO 0.21 -1.83 1.71 -1.49 -0.81 0.00 0.00 175.30 173.09 3mse h TRP 101 N 9.82 0.00 -2.06 5.12 4.06 -1.95 -3.47 115.95 127.47 3mse h TRP 101 Ca -0.26 0.00 -0.63 0.00 2.06 0.00 0.00 58.89 60.06 3mse h TRP 101 Cb 1.06 0.00 0.07 0.00 -1.00 0.00 0.00 29.16 29.28 3mse h TRP 101 CO 1.06 0.00 0.53 1.17 -3.56 0.00 0.00 178.44 177.64 3mse n LYS 102 N -2.48 1.56 -1.32 0.49 3.00 -1.26 -1.85 118.16 116.30 3mse n LYS 102 Ca 0.05 0.56 -0.11 0.00 -0.00 0.00 0.00 58.31 58.81 3mse n LYS 102 Cb 0.46 -2.21 -0.05 0.00 0.00 0.00 0.00 35.03 33.23 3mse n LYS 102 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3mse n ASN 103 N 2.58 -4.37 -4.17 3.14 3.02 -1.26 -5.21 115.26 108.98 3mse n ASN 103 Ca 0.16 0.27 -0.35 0.00 -0.03 0.00 0.00 54.58 54.63 3mse n ASN 103 Cb 0.25 -2.85 -0.06 0.00 -0.61 0.00 0.00 39.78 36.52 3mse n ASN 103 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mse n ILE 104 N -2.66 2.00 -4.21 2.41 0.13 -0.77 -5.07 119.36 111.19 3mse n ILE 104 Ca -0.11 -1.95 -0.30 0.00 -1.10 0.00 0.00 62.75 59.29 3mse n ILE 104 Cb 0.37 -2.25 -0.09 0.00 -0.84 0.00 0.00 39.64 36.84 3mse n ILE 104 CO 0.00 0.00 0.00 0.42 2.80 0.00 0.00 176.55 179.77 3mse s THR 107 N 8.12 3.78 0.26 9.51 -4.23 -1.26 -5.19 115.64 126.63 3mse s THR 107 Ca 0.63 -1.03 -0.02 0.00 -1.18 0.00 0.00 61.69 60.09 3mse s THR 107 Cb 0.06 -2.77 0.24 0.00 1.34 0.00 0.00 72.50 71.38 3mse s THR 107 CO 0.12 0.16 1.83 -0.26 -0.54 0.00 0.00 174.62 175.93 3mse h PHE 108 N 3.67 0.99 -0.11 3.99 -1.00 -1.99 -1.71 116.94 120.78 3mse h PHE 108 Ca -0.48 0.03 -0.18 0.00 2.81 0.00 0.00 57.97 60.15 3mse h PHE 108 Cb 1.17 -0.31 -0.00 0.00 3.61 0.00 0.00 35.95 40.41 3mse h PHE 108 CO 0.60 0.41 -0.70 -0.07 -1.61 0.00 0.00 178.31 176.94 3mse h LEU 109 N 0.90 0.57 -0.31 1.54 3.38 -2.00 -2.39 115.31 117.00 3mse h LEU 109 Ca 0.44 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3mse h LEU 109 Cb 0.39 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3mse h LEU 109 CO -0.25 1.10 0.02 0.50 0.09 0.00 0.00 178.44 179.90 3mse h LYS 110 N 0.34 0.54 -0.65 1.13 3.11 -1.87 -1.10 116.57 118.06 3mse h LYS 110 Ca -0.03 -0.16 -0.05 0.00 -2.81 0.00 0.00 60.65 57.60 3mse h LYS 110 Cb 1.27 -0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 32.42 3mse h LYS 110 CO 0.13 0.66 0.20 0.00 -2.81 0.00 0.00 179.45 177.63 3mse h ALA 111 N 0.86 1.12 -0.13 5.00 0.00 -1.33 -0.69 119.26 124.09 3mse h ALA 111 Ca 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3mse h ALA 111 Cb 0.41 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3mse h ALA 111 CO 0.01 0.60 0.02 0.00 0.00 0.00 0.00 179.25 179.89 3mse h ALA 112 N 1.25 0.17 -0.55 0.00 0.00 -1.30 -2.10 119.26 116.74 3mse h ALA 112 Ca 0.21 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.06 3mse h ALA 112 Cb 0.28 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 3mse h ALA 112 CO -0.01 -0.18 0.17 0.35 0.00 0.00 0.00 179.25 179.58 3mse h PHE 113 N -0.01 0.29 -0.77 0.00 3.57 -0.97 -2.04 116.94 117.01 3mse h PHE 113 Ca 0.04 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 3mse h PHE 113 Cb 0.28 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 3mse h PHE 113 CO 0.01 0.06 0.32 -0.91 -2.23 0.00 0.00 178.31 175.56 3mse h ASN 114 N 0.33 1.04 -0.44 0.41 2.35 -1.03 -0.59 115.58 117.65 3mse h ASN 114 Ca 0.27 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 3mse h ASN 114 Cb 0.34 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 3mse h ASN 114 CO -0.31 0.91 0.18 0.11 -1.65 0.00 0.00 177.43 176.67 3mse h LYS 115 N 1.11 0.72 0.03 0.81 1.57 -0.96 -3.14 116.57 116.71 3mse h LYS 115 Ca 0.26 -0.11 -0.26 0.00 -1.87 0.00 0.00 60.65 58.66 3mse h LYS 115 Cb 0.19 -0.13 0.02 0.00 0.08 0.00 0.00 32.23 32.39 3mse h LYS 115 CO -0.02 0.61 -1.06 0.82 -0.57 0.00 0.00 179.45 179.23 3mse h ILE 116 N 0.71 1.33 -0.68 1.86 2.04 -0.67 -3.38 117.51 118.72 3mse h ILE 116 Ca 0.17 -2.39 -0.49 0.00 1.00 0.00 0.00 64.86 63.15 3mse h ILE 116 Cb 0.18 2.48 -0.06 0.00 -0.74 0.00 0.00 36.82 38.68 3mse h ILE 116 CO -0.01 0.73 1.55 -0.62 0.00 0.00 0.00 178.15 179.80 3mse s ASP 117 N -7.25 5.86 0.24 1.72 3.68 -0.29 -4.79 116.67 115.84 3mse s ASP 117 Ca -0.08 -1.94 -0.04 0.00 2.13 0.00 0.00 52.55 52.62 3mse s ASP 117 Cb 0.07 -2.58 0.41 0.00 -1.45 0.00 0.00 42.92 39.37 3mse s ASP 117 CO 0.91 -2.19 1.79 0.11 0.13 0.00 0.00 175.17 175.92 3mse h LYS 118 N 8.90 0.69 -0.55 4.34 1.57 -1.78 -2.06 116.57 127.68 3mse h LYS 118 Ca 0.31 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3mse h LYS 118 Cb 0.92 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.07 3mse h LYS 118 CO 1.33 0.46 0.00 -0.25 -0.57 0.00 0.00 179.45 180.42 3mse n ASP 119 N -4.80 2.97 -3.33 0.86 8.00 -1.26 -4.94 116.55 114.05 3mse n ASP 119 Ca 0.14 -2.07 -0.23 0.00 0.71 0.00 0.00 54.79 53.33 3mse n ASP 119 Cb 0.30 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 3mse n ASP 119 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3mse n GLU 120 N 0.97 -3.76 0.00 -1.24 1.02 -0.77 -4.84 120.64 112.01 3mse n GLU 120 Ca 0.18 0.56 0.13 0.00 -0.02 0.00 0.00 57.16 58.01 3mse n GLU 120 Cb 0.49 -5.30 0.44 0.00 -0.02 0.00 0.00 31.44 27.05 3mse n GLU 120 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3mse n ASP 121 N -2.36 1.44 0.00 1.62 5.75 -1.26 -4.95 116.55 116.79 3mse n ASP 121 Ca -0.03 -1.33 0.00 0.00 -0.01 0.00 0.00 54.79 53.42 3mse n ASP 121 Cb 0.55 0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 3mse n ASP 121 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3mse n GLY 122 N 1.24 0.72 3.02 6.12 0.00 -1.26 -5.05 105.19 109.98 3mse n GLY 122 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 3mse n GLY 122 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mse s TYR 123 N -2.60 0.89 -0.48 1.61 2.02 -1.26 -4.31 117.35 113.21 3mse s TYR 123 Ca 0.00 -0.19 -0.22 0.00 -0.37 0.00 0.00 57.07 56.29 3mse s TYR 123 Cb 0.00 -0.60 0.03 0.00 -0.40 0.00 0.00 41.96 41.00 3mse s TYR 123 CO 0.00 -0.05 0.78 0.42 -1.57 0.00 0.00 175.55 175.13 3mse s ILE 124 N -0.07 4.65 0.68 2.71 1.01 0.76 -4.79 121.20 126.15 3mse s ILE 124 Ca 0.01 0.18 -0.04 0.00 0.00 0.00 0.00 60.65 60.80 3mse s ILE 124 Cb -0.06 -4.36 0.07 0.00 0.01 0.00 0.00 42.46 38.13 3mse s ILE 124 CO -0.00 -0.82 0.97 -0.94 0.00 0.00 0.00 174.94 174.15 3mse s SER 125 N 2.39 4.77 0.23 3.58 1.04 -1.26 -1.34 113.70 123.11 3mse s SER 125 Ca 0.26 0.20 -0.06 0.00 0.48 0.00 0.00 55.95 56.83 3mse s SER 125 Cb -0.14 -0.83 0.32 0.00 0.10 0.00 0.00 66.02 65.47 3mse s SER 125 CO 0.19 -1.58 1.82 0.50 0.98 0.00 0.00 173.24 175.15 3mse h LYS 126 N -0.47 0.80 0.00 4.02 3.11 -1.98 -2.41 116.57 119.64 3mse h LYS 126 Ca -0.43 -0.05 -0.08 0.00 -2.81 0.00 0.00 60.65 57.29 3mse h LYS 126 Cb 1.30 -0.18 -0.01 0.00 -1.00 0.00 0.00 32.23 32.34 3mse h LYS 126 CO 0.54 0.53 -0.37 0.66 -2.81 0.00 0.00 179.45 177.99 3mse h SER 127 N 0.82 0.00 -0.18 4.20 4.64 -1.95 -0.51 113.55 120.58 3mse h SER 127 Ca 0.35 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.62 3mse h SER 127 Cb 0.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 3mse h SER 127 CO -0.20 0.37 -0.04 0.44 -0.87 0.00 0.00 176.83 176.54 3mse h ASP 128 N 0.00 0.45 0.19 4.97 3.32 -1.75 -0.96 116.42 122.64 3mse h ASP 128 Ca -0.00 -0.09 -0.31 0.00 0.02 0.00 0.00 57.03 56.65 3mse h ASP 128 Cb 0.70 -0.12 0.03 0.00 0.22 0.00 0.00 39.33 40.17 3mse h ASP 128 CO 0.05 0.54 -1.30 0.40 -1.72 0.00 0.00 179.24 177.21 3mse h ILE 129 N 0.45 1.29 -0.88 0.35 1.08 -1.21 -1.28 117.51 117.32 3mse h ILE 129 Ca 0.10 -2.55 0.12 0.00 -0.39 0.00 0.00 64.86 62.13 3mse h ILE 129 Cb 0.36 2.79 -0.08 0.00 -3.07 0.00 0.00 36.82 36.81 3mse h ILE 129 CO 0.01 0.77 0.50 0.58 -0.69 0.00 0.00 178.15 179.33 3mse h VAL 130 N 0.24 0.86 -0.20 1.67 2.07 -0.98 -1.43 116.25 118.48 3mse h VAL 130 Ca -0.20 -0.27 -0.10 0.00 0.82 0.00 0.00 66.70 66.95 3mse h VAL 130 Cb 1.98 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.74 3mse h VAL 130 CO 0.25 0.14 -0.26 -1.28 0.02 0.00 0.00 177.57 176.44 3mse h SER 131 N 0.79 0.57 -0.91 0.57 0.87 -1.11 -2.79 113.55 111.54 3mse h SER 131 Ca 0.44 -0.50 0.18 0.00 -1.23 0.00 0.00 61.79 60.68 3mse h SER 131 Cb 0.48 -0.16 -0.07 0.00 -0.44 0.00 0.00 62.40 62.21 3mse h SER 131 CO -0.29 0.96 0.59 0.25 -0.53 0.00 0.00 176.83 177.82 3mse h LEU 132 N 0.20 0.56 -3.50 2.23 5.85 -0.71 -1.26 115.31 118.68 3mse h LEU 132 Ca 0.02 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3mse h LEU 132 Cb 0.83 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.80 3mse h LEU 132 CO 0.06 0.24 0.00 1.33 -0.34 0.00 0.00 178.44 179.73 3mse n VAL 133 N -4.57 2.63 0.28 1.05 0.24 -0.59 -4.55 118.33 112.82 3mse n VAL 133 Ca 0.19 -1.38 0.12 0.00 -2.04 0.00 0.00 64.34 61.24 3mse n VAL 133 Cb 0.60 -0.21 0.79 0.00 -1.47 0.00 0.00 33.84 33.54 3mse n VAL 133 CO 0.00 0.00 0.00 1.12 -2.14 0.00 0.00 176.83 175.81 3mse h HIS 134 N 4.05 0.00 -0.56 6.34 2.07 -0.96 -0.86 115.15 125.22 3mse h HIS 134 Ca 0.00 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.38 3mse h HIS 134 Cb 1.91 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 31.81 3mse h HIS 134 CO 1.05 0.02 0.14 -0.40 -3.07 0.00 0.00 177.93 175.67 3mse n ASP 135 N -4.07 4.43 -4.17 3.10 3.85 -1.26 -4.95 116.55 113.48 3mse n ASP 135 Ca -0.03 -3.21 -0.21 0.00 -0.71 0.00 0.00 54.79 50.63 3mse n ASP 135 Cb 0.11 -0.68 -0.13 0.00 -1.35 0.00 0.00 41.12 39.07 3mse n ASP 135 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 3mse s LYS 136 N -2.97 0.99 0.00 0.11 -0.14 -0.33 -5.03 119.74 112.37 3mse s LYS 136 Ca 0.51 -0.85 0.13 0.00 -1.36 0.00 0.00 55.97 54.40 3mse s LYS 136 Cb 0.41 -1.03 0.54 0.00 -1.68 0.00 0.00 37.83 36.07 3mse s LYS 136 CO 0.11 0.25 1.40 1.55 -0.76 0.00 0.00 175.35 177.90 3mse n VAL 137 N 1.72 1.11 -1.29 3.17 3.14 -1.26 -4.83 118.33 120.08 3mse n VAL 137 Ca -0.19 0.28 -0.36 0.00 -2.96 0.00 0.00 64.34 61.11 3mse n VAL 137 Cb 0.54 -1.06 0.07 0.00 -1.06 0.00 0.00 33.84 32.33 3mse n VAL 137 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3mse n LEU 138 N -1.49 1.24 0.00 6.55 4.77 -1.26 -5.04 117.00 121.76 3mse n LEU 138 Ca 0.03 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.63 3mse n LEU 138 Cb 0.14 -1.24 0.00 0.00 -2.33 0.00 0.00 43.42 39.99 3mse n LEU 138 CO 0.12 -2.94 0.00 -0.90 -1.33 0.00 0.00 177.39 172.33 3mse n ASP 139 N -0.42 1.10 0.17 -1.43 5.68 -1.26 -5.03 116.55 115.36 3mse n ASP 139 Ca 0.11 -0.51 0.02 0.00 -0.50 0.00 0.00 54.79 53.91 3mse n ASP 139 Cb 0.50 0.00 0.30 0.00 -1.14 0.00 0.00 41.12 40.77 3mse n ASP 139 CO 0.00 0.00 0.00 -1.13 -1.33 0.00 0.00 177.20 174.74 3mse h ASN 140 N 0.00 0.00 -0.03 -1.12 -0.73 -2.00 -3.02 115.58 108.68 3mse h ASN 140 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 3mse h ASN 140 Cb 0.00 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.59 3mse h ASN 140 CO 0.00 0.46 0.02 -1.13 -0.37 0.00 0.00 177.43 176.41 3mse h ASN 141 N 0.00 0.03 -0.64 1.15 -1.24 -2.00 -2.20 115.58 110.68 3mse h ASN 141 Ca -0.00 -0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.06 3mse h ASN 141 Cb 0.86 -0.01 -0.05 0.00 0.73 0.00 0.00 38.32 39.86 3mse h ASN 141 CO 0.06 0.02 0.36 0.44 -1.29 0.00 0.00 177.43 177.02 3mse h ASP 142 N 0.04 0.54 -0.31 1.15 3.32 -1.96 -2.52 116.42 116.68 3mse h ASP 142 Ca 0.01 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 3mse h ASP 142 Cb -0.00 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3mse h ASP 142 CO -0.00 0.36 0.11 0.40 -1.72 0.00 0.00 179.24 178.38 3mse h ILE 143 N 0.67 1.19 -0.51 0.35 2.04 -1.40 -2.45 117.51 117.40 3mse h ILE 143 Ca 0.28 -0.60 0.02 0.00 1.00 0.00 0.00 64.86 65.56 3mse h ILE 143 Cb 0.15 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 3mse h ILE 143 CO -0.17 0.21 0.32 0.44 0.00 0.00 0.00 178.15 178.95 3mse h ASP 144 N 0.35 0.52 -0.66 1.72 3.32 -1.23 -1.85 116.42 118.60 3mse h ASP 144 Ca 0.10 -0.00 0.13 0.00 0.02 0.00 0.00 57.03 57.28 3mse h ASP 144 Cb 0.21 -0.12 -0.10 0.00 0.22 0.00 0.00 39.33 39.55 3mse h ASP 144 CO -0.01 0.37 0.13 0.78 -1.72 0.00 0.00 179.24 178.80 3mse h ASN 145 N 0.64 -0.03 -0.76 6.45 2.35 -1.31 -1.82 115.58 121.09 3mse h ASN 145 Ca 0.20 0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 56.07 3mse h ASN 145 Cb -0.01 0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.51 3mse h ASN 145 CO -0.08 -0.03 0.42 0.15 -1.65 0.00 0.00 177.43 176.25 3mse h PHE 146 N 0.25 1.05 -0.33 1.19 3.04 -0.86 -0.73 116.94 120.55 3mse h PHE 146 Ca 0.36 -0.03 -0.12 0.00 3.98 0.00 0.00 57.97 62.17 3mse h PHE 146 Cb 0.57 -0.33 -0.01 0.00 2.56 0.00 0.00 35.95 38.74 3mse h PHE 146 CO -0.27 0.74 -0.28 0.74 -2.02 0.00 0.00 178.31 177.22 3mse h PHE 147 N 1.05 0.77 -0.39 0.41 0.04 -0.96 -1.53 116.94 116.33 3mse h PHE 147 Ca 0.27 -0.18 -0.04 0.00 2.80 0.00 0.00 57.97 60.81 3mse h PHE 147 Cb 0.04 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 37.99 3mse h PHE 147 CO 0.00 0.87 0.09 -0.07 -0.60 0.00 0.00 178.31 178.60 3mse h LEU 148 N 0.58 0.60 -0.05 1.54 3.38 -1.06 -2.09 115.31 118.21 3mse h LEU 148 Ca 0.07 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.82 3mse h LEU 148 Cb 0.77 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3mse h LEU 148 CO 0.06 0.69 -0.05 0.28 0.09 0.00 0.00 178.44 179.51 3mse h SER 149 N 0.49 -0.15 -0.68 -0.43 0.02 -0.93 0.12 113.55 111.98 3mse h SER 149 Ca 0.12 0.03 0.09 0.00 -0.84 0.00 0.00 61.79 61.19 3mse h SER 149 Cb 0.32 0.08 -0.07 0.00 0.14 0.00 0.00 62.40 62.87 3mse h SER 149 CO 0.00 -0.07 0.33 0.58 -1.14 0.00 0.00 176.83 176.53 3mse h VAL 150 N -0.06 0.86 -0.00 2.27 2.07 -1.24 -2.65 116.25 117.50 3mse h VAL 150 Ca 0.04 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3mse h VAL 150 Cb 0.12 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3mse h VAL 150 CO -0.09 0.11 -0.19 1.41 0.02 0.00 0.00 177.57 178.82 3mse n HIS 151 N -4.88 0.00 0.23 1.57 -0.00 -0.79 -3.51 115.22 107.84 3mse n HIS 151 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.82 3mse n HIS 151 Cb 0.25 -0.17 0.14 0.00 -0.00 0.00 0.00 29.99 30.21 3mse n HIS 151 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3mse n SER 152 N -0.88 2.95 0.00 0.41 2.88 0.38 -5.06 113.62 114.30 3mse n SER 152 Ca 0.13 -2.42 0.00 0.00 -1.33 0.00 0.00 58.87 55.25 3mse n SER 152 Cb 0.31 -0.59 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 3mse n SER 152 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3mse n ILE 153 N 0.17 0.00 -1.87 2.46 5.41 -1.23 -5.05 119.36 119.25 3mse n ILE 153 Ca 0.13 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.87 3mse n ILE 153 Cb 0.69 0.60 0.00 0.00 -0.71 0.00 0.00 39.64 40.22 3mse n ILE 153 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 3mse n ILE 163 N -0.04 -8.03 -2.50 1.39 -6.64 -1.26 -5.13 119.36 97.15 3mse n ILE 163 Ca 0.00 2.12 -0.40 0.00 -1.77 0.00 0.00 62.75 62.70 3mse n ILE 163 Cb 0.00 -3.49 0.02 0.00 -1.44 0.00 0.00 39.64 34.73 3mse n ILE 163 CO 0.00 0.00 0.00 -3.20 -1.77 0.00 0.00 176.55 171.58 3mse n ASN 164 N 1.67 7.18 -4.27 7.28 5.15 -1.26 -4.95 115.26 126.05 3mse n ASN 164 Ca 0.00 -3.72 -0.15 0.00 -0.60 0.00 0.00 54.58 50.11 3mse n ASN 164 Cb 0.00 -1.10 -0.10 0.00 -0.53 0.00 0.00 39.78 38.05 3mse n ASN 164 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3mse s LYS 165 N -4.21 1.17 -0.09 1.20 1.02 -1.26 -4.02 119.74 113.55 3mse s LYS 165 Ca 0.43 -1.56 -0.01 0.00 0.02 0.00 0.00 55.97 54.85 3mse s LYS 165 Cb 0.26 -0.49 0.03 0.00 -0.52 0.00 0.00 37.83 37.10 3mse s LYS 165 CO -0.20 -0.06 -0.03 0.42 -0.92 0.00 0.00 175.35 174.57 3mse s ILE 166 N -3.48 0.65 0.84 2.17 1.01 -0.45 -4.92 121.20 117.03 3mse s ILE 166 Ca 0.23 -0.07 -0.12 0.00 0.00 0.00 0.00 60.65 60.69 3mse s ILE 166 Cb 0.05 -0.76 0.10 0.00 0.01 0.00 0.00 42.46 41.85 3mse s ILE 166 CO 0.04 0.29 1.13 -0.94 0.00 0.00 0.00 174.94 175.47 3mse s SER 167 N 1.86 4.15 0.32 3.58 1.04 -1.26 -0.17 113.70 123.22 3mse s SER 167 Ca 0.05 1.01 0.00 0.00 0.48 0.00 0.00 55.95 57.50 3mse s SER 167 Cb -0.13 -1.63 0.53 0.00 0.10 0.00 0.00 66.02 64.90 3mse s SER 167 CO -0.07 -2.15 1.96 0.15 0.98 0.00 0.00 173.24 174.11 3mse h PHE 168 N -1.22 0.87 -0.30 5.02 3.04 -1.99 -0.64 116.94 121.71 3mse h PHE 168 Ca -0.48 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.42 3mse h PHE 168 Cb 1.31 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 39.52 3mse h PHE 168 CO 0.36 0.59 0.00 0.37 -2.02 0.00 0.00 178.31 177.61 3mse h GLN 169 N 0.91 0.53 -0.29 1.11 5.75 -1.96 0.28 115.11 121.43 3mse h GLN 169 Ca 0.24 -0.17 -0.10 0.00 -0.15 0.00 0.00 58.65 58.47 3mse h GLN 169 Cb -0.01 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 3mse h GLN 169 CO -0.04 0.67 -0.22 0.93 -2.65 0.00 0.00 178.83 177.52 3mse h GLU 170 N 0.32 0.55 0.22 1.69 5.08 -1.89 0.84 114.58 121.40 3mse h GLU 170 Ca 0.09 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3mse h GLU 170 Cb 0.43 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3mse h GLU 170 CO 0.01 0.74 -0.11 0.35 -1.00 0.00 0.00 179.01 179.01 3mse h PHE 171 N 0.49 -0.27 -0.55 4.33 3.04 -0.89 -1.53 116.94 121.55 3mse h PHE 171 Ca 0.07 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.04 3mse h PHE 171 Cb 0.65 0.09 -0.03 0.00 2.56 0.00 0.00 35.95 39.22 3mse h PHE 171 CO 0.02 -0.05 0.35 -0.22 -2.02 0.00 0.00 178.31 176.40 3mse h LYS 172 N -0.46 0.68 -0.63 1.11 3.64 -0.29 -1.47 116.57 119.14 3mse h LYS 172 Ca -0.03 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 3mse h LYS 172 Cb 0.35 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 3mse h LYS 172 CO 0.05 0.45 0.25 -0.44 -2.27 0.00 0.00 179.45 177.48 3mse h ASP 173 N 0.70 0.88 0.03 4.20 3.32 -0.82 -1.42 116.42 123.32 3mse h ASP 173 Ca 0.21 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3mse h ASP 173 Cb -0.02 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.30 3mse h ASP 173 CO -0.08 0.82 -0.02 0.22 -1.72 0.00 0.00 179.24 178.47 3mse h TYR 174 N 0.89 -0.04 -0.49 4.55 3.20 -0.92 -2.61 116.97 121.55 3mse h TYR 174 Ca 0.21 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.08 3mse h TYR 174 Cb 0.22 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 3mse h TYR 174 CO 0.01 0.15 0.31 0.52 -1.64 0.00 0.00 178.16 177.52 3mse h MET 175 N -0.23 0.65 -0.95 1.82 2.86 -1.14 -2.27 114.93 115.67 3mse h MET 175 Ca -0.00 -0.05 0.06 0.00 -2.06 0.00 0.00 59.70 57.64 3mse h MET 175 Cb 0.21 -0.14 -0.06 0.00 0.06 0.00 0.00 31.60 31.67 3mse h MET 175 CO 0.01 0.45 0.62 -0.07 1.06 0.00 0.00 176.91 178.98 3mse h LEU 176 N 0.66 0.99 -0.39 1.22 3.38 -1.29 -1.26 115.31 118.62 3mse h LEU 176 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3mse h LEU 176 Cb -0.05 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.49 3mse h LEU 176 CO -0.04 0.65 0.00 -1.54 0.09 0.00 0.00 178.44 177.61 3mse n SER 177 N -4.48 0.26 -0.09 -0.43 3.41 -0.86 -2.38 113.62 109.05 3mse n SER 177 Ca 0.14 0.58 0.09 0.00 -0.26 0.00 0.00 58.87 59.43 3mse n SER 177 Cb 0.16 -0.63 -0.09 0.00 -0.26 0.00 0.00 64.21 63.39 3mse n SER 177 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3mse n THR 178 N -1.81 0.00 1.91 6.66 -2.24 -0.49 -5.11 114.28 113.21 3mse n THR 178 Ca 0.02 -0.09 0.16 0.00 -2.27 0.00 0.00 64.05 61.86 3mse n THR 178 Cb 0.13 1.05 0.87 0.00 -2.10 0.00 0.00 70.33 70.28 3mse n THR 178 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99