#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h6r s VAL 2 N 0.00 -0.93 -0.19 2.03 -7.23 -1.25 -4.17 120.40 108.66 2h6r s VAL 2 Ca 0.00 0.02 -0.03 0.00 -1.81 0.00 0.00 61.98 60.16 2h6r s VAL 2 Cb 0.00 -0.94 -0.01 0.00 0.56 0.00 0.00 36.38 35.98 2h6r s VAL 2 CO 0.00 0.00 -0.05 -0.63 -0.31 0.00 0.00 175.10 174.11 2h6r s ILE 3 N 2.83 3.44 -0.18 -0.62 1.01 -1.09 -0.69 121.20 125.89 2h6r s ILE 3 Ca 0.02 -0.49 -0.03 0.00 0.00 0.00 0.00 60.65 60.15 2h6r s ILE 3 Cb -0.13 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.79 2h6r s ILE 3 CO -0.18 0.45 -0.05 -0.69 0.00 0.00 0.00 174.94 174.46 2h6r s VAL 4 N 1.06 3.50 -0.39 2.92 1.01 0.60 -0.03 120.40 129.08 2h6r s VAL 4 Ca 0.01 -0.47 -0.13 0.00 0.00 0.00 0.00 61.98 61.38 2h6r s VAL 4 Cb -0.15 -2.55 0.02 0.00 0.00 0.00 0.00 36.38 33.70 2h6r s VAL 4 CO -0.00 0.46 0.26 -0.63 0.00 0.00 0.00 175.10 175.19 2h6r s ILE 5 N 0.91 4.98 -0.07 2.22 1.01 -0.34 -1.76 121.20 128.14 2h6r s ILE 5 Ca -0.01 -0.71 -0.27 0.00 0.00 0.00 0.00 60.65 59.66 2h6r s ILE 5 Cb -0.15 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 2h6r s ILE 5 CO 0.01 -0.26 0.86 0.21 0.00 0.00 0.00 174.94 175.77 2h6r s ASN 6 N 1.63 7.14 0.13 3.58 2.47 0.98 -0.43 114.94 130.44 2h6r s ASN 6 Ca 0.04 1.39 0.18 0.00 0.42 0.00 0.00 52.86 54.89 2h6r s ASN 6 Cb -0.19 -2.49 -0.06 0.00 -1.45 0.00 0.00 41.25 37.05 2h6r s ASN 6 CO 0.09 -0.27 0.98 1.88 -3.72 0.00 0.00 177.10 176.05 2h6r h TYR 7 N 6.95 0.00 0.00 0.43 -1.99 -1.61 -3.39 116.97 117.35 2h6r h TYR 7 Ca -0.37 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.36 2h6r h TYR 7 Cb 1.18 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.91 2h6r h TYR 7 CO 0.68 0.41 0.00 1.63 -0.00 0.00 0.00 178.16 180.89 2h6r n LYS 8 N -2.89 0.00 -1.86 4.88 5.02 -1.26 -3.10 118.16 118.95 2h6r n LYS 8 Ca -0.05 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.25 2h6r n LYS 8 Cb 0.75 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.78 2h6r n LYS 8 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2h6r n THR 9 N 0.00 0.34 -1.69 -0.18 -2.24 -1.26 -4.65 114.28 104.60 2h6r n THR 9 Ca 0.00 -1.43 -0.32 0.00 -2.27 0.00 0.00 64.05 60.03 2h6r n THR 9 Cb 0.00 1.04 0.05 0.00 -2.10 0.00 0.00 70.33 69.32 2h6r n THR 9 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2h6r s TYR 10 N -1.02 2.84 -0.30 4.78 1.51 -1.18 -4.93 117.35 119.05 2h6r s TYR 10 Ca 0.28 1.51 0.27 0.00 -1.01 0.00 0.00 57.07 58.13 2h6r s TYR 10 Cb 0.34 -3.03 0.90 0.00 -0.11 0.00 0.00 41.96 40.06 2h6r s TYR 10 CO -0.12 -1.43 1.79 -0.91 -1.11 0.00 0.00 175.55 173.77 2h6r h ASN 11 N -0.27 0.00 0.65 2.29 -0.26 -2.00 -2.91 115.58 113.08 2h6r h ASN 11 Ca -0.45 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.29 2h6r h ASN 11 Cb 1.23 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.49 2h6r h ASN 11 CO 0.55 0.00 0.00 -0.62 -1.06 0.00 0.00 177.43 176.30 2h6r n GLU 12 N -2.82 0.32 -2.61 0.81 4.71 -1.26 -3.87 120.64 115.92 2h6r n GLU 12 Ca 0.03 0.01 -0.18 0.00 -0.01 0.00 0.00 57.16 57.00 2h6r n GLU 12 Cb 0.38 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 29.32 2h6r n GLU 12 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 2h6r n SER 13 N -1.33 3.05 -4.29 1.62 3.41 -1.10 -4.33 113.62 110.65 2h6r n SER 13 Ca 0.12 -3.23 -0.35 0.00 -0.26 0.00 0.00 58.87 55.16 2h6r n SER 13 Cb 0.26 -0.50 -0.14 0.00 -0.26 0.00 0.00 64.21 63.56 2h6r n SER 13 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2h6r s ILE 14 N -4.27 3.21 0.00 -1.33 1.01 -1.25 -4.39 121.20 114.18 2h6r s ILE 14 Ca 0.38 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.48 2h6r s ILE 14 Cb 0.42 -2.45 0.00 0.00 0.01 0.00 0.00 42.46 40.44 2h6r s ILE 14 CO -0.08 0.44 0.00 0.61 0.00 0.00 0.00 174.94 175.91 2h6r n GLY 15 N 4.76 3.77 0.27 6.18 0.00 -1.26 -1.85 105.19 117.06 2h6r n GLY 15 Ca -0.19 0.21 0.13 0.00 0.00 0.00 0.00 46.02 46.18 2h6r n GLY 15 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2h6r h ASN 16 N 0.00 0.00 -0.55 1.61 4.21 -1.99 -2.17 115.58 116.69 2h6r h ASN 16 Ca 0.00 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.41 2h6r h ASN 16 Cb 0.00 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.18 2h6r h ASN 16 CO 0.00 0.08 -0.03 0.03 -1.29 0.00 0.00 177.43 176.22 2h6r h ARG 17 N 0.00 1.02 0.00 0.81 3.08 -1.68 -2.21 114.38 115.40 2h6r h ARG 17 Ca -0.00 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.72 2h6r h ARG 17 Cb 0.21 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2h6r h ARG 17 CO 0.01 1.02 -0.09 0.78 -1.07 0.00 0.00 179.97 180.61 2h6r h GLY 18 N 0.98 0.00 1.50 0.04 0.00 -1.55 -3.20 103.07 100.84 2h6r h GLY 18 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.29 2h6r h GLY 18 CO 0.03 0.00 -0.76 -2.00 0.00 0.00 0.00 176.54 173.81 2h6r h LEU 19 N 0.00 0.58 -0.96 3.11 6.46 -1.01 -2.78 115.31 120.71 2h6r h LEU 19 Ca 0.00 -0.39 -0.11 0.00 -0.12 0.00 0.00 57.88 57.26 2h6r h LEU 19 Cb 0.90 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.64 2h6r h LEU 19 CO 0.00 1.15 -0.48 -0.33 -0.62 0.00 0.00 178.44 178.16 2h6r h GLU 20 N 0.32 0.08 0.00 1.25 4.39 -1.41 -2.53 114.58 116.69 2h6r h GLU 20 Ca -0.04 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.50 2h6r h GLU 20 Cb 1.36 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.99 2h6r h GLU 20 CO 0.14 0.55 -0.55 0.82 -1.16 0.00 0.00 179.01 178.81 2h6r h ILE 21 N 0.07 1.23 -0.01 3.13 2.04 -1.55 -2.52 117.51 119.90 2h6r h ILE 21 Ca 0.00 -1.98 -0.01 0.00 1.00 0.00 0.00 64.86 63.87 2h6r h ILE 21 Cb 0.88 2.12 -0.00 0.00 -0.74 0.00 0.00 36.82 39.08 2h6r h ILE 21 CO 0.07 0.54 -0.02 0.00 0.00 0.00 0.00 178.15 178.74 2h6r h ALA 22 N 1.45 0.02 0.00 1.87 0.00 -1.18 -2.25 119.26 119.17 2h6r h ALA 22 Ca -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 2h6r h ALA 22 Cb 1.07 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2h6r h ALA 22 CO 0.07 -0.20 -0.12 1.57 0.00 0.00 0.00 179.25 180.57 2h6r h LYS 23 N -0.49 0.00 -0.09 0.00 2.10 -1.50 0.16 116.57 116.75 2h6r h LYS 23 Ca 0.00 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.42 2h6r h LYS 23 Cb 0.55 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.89 2h6r h LYS 23 CO 0.00 0.12 -0.85 0.82 -2.00 0.00 0.00 179.45 177.54 2h6r h ILE 24 N 0.00 1.31 0.00 0.07 1.08 -1.44 -0.69 117.51 117.85 2h6r h ILE 24 Ca -0.00 -2.12 -0.11 0.00 -0.39 0.00 0.00 64.86 62.24 2h6r h ILE 24 Cb 0.59 2.14 -0.02 0.00 -3.07 0.00 0.00 36.82 36.47 2h6r h ILE 24 CO 0.02 0.66 -0.53 0.00 -0.69 0.00 0.00 178.15 177.61 2h6r h ALA 25 N 0.61 0.89 -0.14 1.87 0.00 -0.87 -2.85 119.26 118.77 2h6r h ALA 25 Ca -0.07 -0.48 -0.18 0.00 0.00 0.00 0.00 54.91 54.18 2h6r h ALA 25 Cb 1.48 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 2h6r h ALA 25 CO 0.17 0.66 -0.66 1.49 0.00 0.00 0.00 179.25 180.90 2h6r h GLU 26 N 0.00 0.55 -0.22 0.00 4.81 -0.51 -2.32 114.58 116.89 2h6r h GLU 26 Ca -0.01 -0.40 -0.03 0.00 -0.13 0.00 0.00 59.36 58.79 2h6r h GLU 26 Cb 1.10 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 2h6r h GLU 26 CO 0.07 1.02 0.02 -0.22 -0.73 0.00 0.00 179.01 179.17 2h6r h LYS 27 N 0.40 0.38 0.00 1.92 1.63 -0.95 -2.63 116.57 117.31 2h6r h LYS 27 Ca -0.02 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 2h6r h LYS 27 Cb 1.23 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 2h6r h LYS 27 CO 0.12 0.54 0.00 1.33 -3.45 0.00 0.00 179.45 178.00 2h6r n VAL 28 N -4.69 0.35 -0.03 2.00 0.24 -1.09 -3.38 118.33 111.72 2h6r n VAL 28 Ca -0.04 0.02 -0.15 0.00 -2.04 0.00 0.00 64.34 62.12 2h6r n VAL 28 Cb 0.22 -0.65 -0.12 0.00 -1.47 0.00 0.00 33.84 31.82 2h6r n VAL 28 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 2h6r h SER 29 N 0.00 0.21 -2.70 -1.34 0.87 -1.08 -3.39 113.55 106.12 2h6r h SER 29 Ca 0.00 -0.81 -0.54 0.00 -1.23 0.00 0.00 61.79 59.21 2h6r h SER 29 Cb 0.48 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.33 2h6r h SER 29 CO 0.00 0.99 1.16 -0.70 -0.53 0.00 0.00 176.83 177.75 2h6r s GLU 30 N -3.00 3.22 0.00 2.24 2.56 -1.02 -3.83 118.70 118.87 2h6r s GLU 30 Ca -0.16 0.64 0.00 0.00 0.00 0.00 0.00 54.97 55.45 2h6r s GLU 30 Cb 0.00 -4.17 0.00 0.00 2.00 0.00 0.00 34.13 31.97 2h6r s GLU 30 CO 0.74 -2.03 0.00 -1.91 -0.56 0.00 0.00 175.26 171.50 2h6r n GLU 31 N 8.68 0.00 0.00 4.30 4.07 -1.26 -4.94 120.64 131.49 2h6r n GLU 31 Ca 0.15 0.42 0.00 0.00 -0.06 0.00 0.00 57.16 57.67 2h6r n GLU 31 Cb 0.49 -1.25 0.00 0.00 -0.06 0.00 0.00 31.44 30.62 2h6r n GLU 31 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2h6r n SER 32 N -0.41 0.00 0.00 4.31 2.88 -1.25 -4.96 113.62 114.19 2h6r n SER 32 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2h6r n SER 32 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2h6r n SER 32 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2h6r n GLY 33 N -0.03 0.93 3.69 0.46 0.00 -1.25 -5.04 105.19 103.96 2h6r n GLY 33 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2h6r n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2h6r s ILE 34 N -3.35 5.24 -0.51 -0.61 1.09 -1.26 -5.05 121.20 116.75 2h6r s ILE 34 Ca 0.00 0.13 -0.27 0.00 -1.10 0.00 0.00 60.65 59.41 2h6r s ILE 34 Cb 0.00 -3.39 0.03 0.00 -1.06 0.00 0.00 42.46 38.04 2h6r s ILE 34 CO 0.00 0.43 1.04 -0.89 -0.10 0.00 0.00 174.94 175.42 2h6r s THR 35 N 0.48 4.29 -0.24 2.92 2.01 -1.26 -4.62 115.64 119.22 2h6r s THR 35 Ca 0.07 0.81 -0.08 0.00 0.31 0.00 0.00 61.69 62.80 2h6r s THR 35 Cb -0.12 -4.56 -0.04 0.00 0.01 0.00 0.00 72.50 67.80 2h6r s THR 35 CO -0.01 -1.04 0.10 -0.63 -0.69 0.00 0.00 174.62 172.36 2h6r s ILE 36 N 4.22 4.70 0.37 1.82 1.01 -1.26 -2.68 121.20 129.39 2h6r s ILE 36 Ca 0.40 -0.04 0.08 0.00 0.00 0.00 0.00 60.65 61.08 2h6r s ILE 36 Cb -0.09 -3.19 -0.05 0.00 0.01 0.00 0.00 42.46 39.14 2h6r s ILE 36 CO 0.26 0.34 0.16 -0.83 0.00 0.00 0.00 174.94 174.88 2h6r s GLY 37 N 1.36 2.13 0.10 6.18 0.00 0.96 -4.17 107.32 113.87 2h6r s GLY 37 Ca 0.06 -1.96 0.03 0.00 0.00 0.00 0.00 44.72 42.85 2h6r s GLY 37 CO 0.05 -1.83 -0.09 -1.34 0.00 0.00 0.00 173.10 169.89 2h6r s VAL 38 N -2.51 0.86 -0.61 1.40 -7.23 -0.13 -1.20 120.40 110.98 2h6r s VAL 38 Ca 0.40 -1.68 0.05 0.00 -1.81 0.00 0.00 61.98 58.94 2h6r s VAL 38 Cb 0.00 -1.39 0.19 0.00 0.56 0.00 0.00 36.38 35.74 2h6r s VAL 38 CO 0.23 -0.63 0.51 0.00 -0.31 0.00 0.00 175.10 174.90 2h6r n ALA 39 N 0.46 3.34 -1.22 1.32 0.00 0.42 -0.51 120.51 124.31 2h6r n ALA 39 Ca -0.15 -4.17 -0.29 0.00 0.00 0.00 0.00 53.44 48.82 2h6r n ALA 39 Cb 0.58 -0.93 0.19 0.00 0.00 0.00 0.00 19.45 19.30 2h6r n ALA 39 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2h6r s PRO 40 N -1.29 -0.07 0.61 0.00 0.02 -1.22 -1.60 135.00 131.46 2h6r s PRO 40 Ca 0.30 0.23 -0.14 0.00 0.02 0.00 0.00 61.00 61.41 2h6r s PRO 40 Cb 0.03 -1.70 -0.03 0.00 0.02 0.00 0.00 34.50 32.81 2h6r s PRO 40 CO -0.15 -3.00 1.04 -0.65 -0.33 0.00 0.00 177.00 173.92 2h6r s GLN 41 N -5.20 3.32 0.37 5.54 -0.21 -1.26 -4.12 119.66 118.10 2h6r s GLN 41 Ca 0.67 1.06 0.14 0.00 0.02 0.00 0.00 55.36 57.25 2h6r s GLN 41 Cb -0.15 -2.04 0.98 0.00 1.00 0.00 0.00 33.01 32.81 2h6r s GLN 41 CO 0.56 -0.80 1.78 0.74 -2.12 0.00 0.00 175.29 175.46 2h6r h PHE 42 N 0.12 0.78 0.00 0.91 -1.00 -1.96 0.29 116.94 116.08 2h6r h PHE 42 Ca -0.46 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.35 2h6r h PHE 42 Cb 1.21 -0.23 0.00 0.00 3.61 0.00 0.00 35.95 40.54 2h6r h PHE 42 CO 0.61 0.12 0.00 -0.39 -1.61 0.00 0.00 178.31 177.04 2h6r h VAL 43 N 0.51 0.00 -0.01 -0.55 -1.51 -2.03 -3.25 116.25 109.41 2h6r h VAL 43 Ca 0.57 -0.59 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 2h6r h VAL 43 Cb 1.25 1.56 0.00 0.00 -2.13 0.00 0.00 31.29 31.97 2h6r h VAL 43 CO -0.31 0.00 -0.29 0.47 -1.23 0.00 0.00 177.57 176.21 2h6r n ASP 44 N -2.52 1.92 0.01 4.19 10.43 0.00 -4.74 116.55 125.83 2h6r n ASP 44 Ca 0.05 -1.46 -0.01 0.00 2.57 0.00 0.00 54.79 55.94 2h6r n ASP 44 Cb 0.43 0.37 -0.01 0.00 1.84 0.00 0.00 41.12 43.75 2h6r n ASP 44 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 2h6r h LEU 45 N 2.34 -0.08 -1.16 0.64 3.38 -1.35 -2.95 115.31 116.12 2h6r h LEU 45 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2h6r h LEU 45 Cb 0.64 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2h6r h LEU 45 CO 0.00 -0.03 0.00 0.08 0.09 0.00 0.00 178.44 178.58 2h6r h ARG 46 N -0.04 0.00 -0.15 1.13 0.11 -1.84 -2.65 114.38 110.95 2h6r h ARG 46 Ca -0.00 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.93 2h6r h ARG 46 Cb 0.04 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.11 2h6r h ARG 46 CO -0.01 0.00 -0.56 1.98 0.10 0.00 0.00 179.97 181.48 2h6r h MET 47 N 0.00 0.44 0.06 0.08 4.05 -1.82 -3.02 114.93 114.73 2h6r h MET 47 Ca 0.00 -0.28 -0.27 0.00 -0.28 0.00 0.00 59.70 58.86 2h6r h MET 47 Cb 0.28 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.09 2h6r h MET 47 CO 0.00 0.88 -1.40 0.82 0.23 0.00 0.00 176.91 177.44 2h6r h ILE 48 N 0.34 1.27 -0.60 1.77 2.04 -1.31 -3.25 117.51 117.77 2h6r h ILE 48 Ca 0.00 -2.97 -0.05 0.00 1.00 0.00 0.00 64.86 62.85 2h6r h ILE 48 Cb 1.08 2.73 -0.03 0.00 -0.74 0.00 0.00 36.82 39.86 2h6r h ILE 48 CO 0.10 0.80 0.18 0.58 0.00 0.00 0.00 178.15 179.82 2h6r h VAL 49 N 0.04 1.23 0.00 1.67 2.07 -1.52 0.40 116.25 120.13 2h6r h VAL 49 Ca -0.18 -0.78 -0.11 0.00 0.82 0.00 0.00 66.70 66.45 2h6r h VAL 49 Cb 1.94 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 2h6r h VAL 49 CO 0.14 0.30 -0.50 -0.33 0.02 0.00 0.00 177.57 177.20 2h6r h GLU 50 N 0.87 0.00 0.00 1.57 5.08 -1.65 -3.37 114.58 117.08 2h6r h GLU 50 Ca 0.20 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.24 2h6r h GLU 50 Cb 0.25 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 2h6r h GLU 50 CO -0.01 0.50 -2.19 0.09 -1.00 0.00 0.00 179.01 176.40 2h6r n ASN 51 N -3.34 1.65 -4.66 1.42 3.02 -1.09 -5.00 115.26 107.27 2h6r n ASN 51 Ca 0.01 -0.06 -0.33 0.00 -0.03 0.00 0.00 54.58 54.17 2h6r n ASN 51 Cb 0.68 0.24 -0.09 0.00 -0.61 0.00 0.00 39.78 39.99 2h6r n ASN 51 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2h6r s VAL 52 N -2.42 4.04 -1.03 2.41 1.01 0.14 -5.05 120.40 119.50 2h6r s VAL 52 Ca -0.19 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 2h6r s VAL 52 Cb 0.06 -2.77 0.31 0.00 0.00 0.00 0.00 36.38 33.98 2h6r s VAL 52 CO 0.59 0.43 1.45 -3.20 0.00 0.00 0.00 175.10 174.36 2h6r n ASN 53 N 1.59 6.28 -3.91 3.32 5.15 -1.26 -4.50 115.26 121.92 2h6r n ASN 53 Ca -0.15 -3.45 -0.09 0.00 -0.60 0.00 0.00 54.58 50.28 2h6r n ASN 53 Cb 0.53 -1.20 -0.08 0.00 -0.53 0.00 0.00 39.78 38.50 2h6r n ASN 53 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2h6r s ILE 54 N -2.97 0.15 -0.04 -1.44 -5.25 -1.26 -5.01 121.20 105.38 2h6r s ILE 54 Ca 0.33 -1.24 -0.31 0.00 -0.99 0.00 0.00 60.65 58.44 2h6r s ILE 54 Cb 0.08 -1.23 -0.09 0.00 2.95 0.00 0.00 42.46 44.16 2h6r s ILE 54 CO 0.07 -0.69 2.00 -2.65 -1.79 0.00 0.00 174.94 171.88 2h6r n PRO 55 N 0.22 2.53 -4.17 0.37 -0.02 -1.26 -4.90 135.00 127.78 2h6r n PRO 55 Ca -0.16 0.90 -0.35 0.00 -2.02 0.00 0.00 63.50 61.87 2h6r n PRO 55 Cb 0.61 -2.95 -0.12 0.00 -0.02 0.00 0.00 33.50 31.02 2h6r n PRO 55 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2h6r s VAL 56 N 5.04 3.91 0.13 -1.45 1.01 -1.26 -0.95 120.40 126.83 2h6r s VAL 56 Ca 0.92 -0.33 0.11 0.00 0.00 0.00 0.00 61.98 62.68 2h6r s VAL 56 Cb -0.49 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 2h6r s VAL 56 CO 0.44 0.45 -0.25 -0.31 0.00 0.00 0.00 175.10 175.43 2h6r s TYR 57 N 0.82 2.36 0.44 5.22 1.51 0.33 -0.63 117.35 127.40 2h6r s TYR 57 Ca 0.00 -0.35 -0.13 0.00 -1.01 0.00 0.00 57.07 55.58 2h6r s TYR 57 Cb -0.14 -1.26 -0.07 0.00 -0.11 0.00 0.00 41.96 40.37 2h6r s TYR 57 CO 0.02 0.37 0.85 0.00 -1.11 0.00 0.00 175.55 175.68 2h6r s ALA 58 N -1.14 3.24 -0.89 3.71 0.00 -0.80 -3.45 121.76 122.43 2h6r s ALA 58 Ca 0.16 -0.03 0.26 0.00 0.00 0.00 0.00 51.96 52.35 2h6r s ALA 58 Cb -0.10 -2.87 0.74 0.00 0.00 0.00 0.00 23.12 20.89 2h6r s ALA 58 CO 0.07 -0.07 1.60 1.04 0.00 0.00 0.00 175.76 178.41 2h6r n GLN 59 N -1.32 0.10 -3.62 0.00 6.02 -1.26 0.86 117.38 118.15 2h6r n GLN 59 Ca 0.04 0.05 -0.04 0.00 -0.01 0.00 0.00 57.00 57.04 2h6r n GLN 59 Cb 0.54 -1.58 -0.04 0.00 1.02 0.00 0.00 30.24 30.18 2h6r n GLN 59 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2h6r s HIS 60 N -3.05 -0.12 -0.13 1.08 5.04 -1.17 -4.52 115.29 112.41 2h6r s HIS 60 Ca 0.11 0.19 -0.04 0.00 -1.54 0.00 0.00 55.06 53.78 2h6r s HIS 60 Cb 0.16 0.49 0.06 0.00 0.04 0.00 0.00 32.58 33.34 2h6r s HIS 60 CO 0.64 -0.13 0.19 0.42 -2.34 0.00 0.00 174.74 173.52 2h6r s ILE 61 N -1.31 -0.29 0.44 0.89 1.01 -1.26 -4.92 121.20 115.76 2h6r s ILE 61 Ca 0.07 0.17 -0.23 0.00 0.00 0.00 0.00 60.65 60.66 2h6r s ILE 61 Cb -0.01 -0.45 -0.08 0.00 0.01 0.00 0.00 42.46 41.94 2h6r s ILE 61 CO -0.05 0.01 1.13 -1.81 0.00 0.00 0.00 174.94 174.23 2h6r s ASP 62 N 2.31 6.34 -1.18 3.58 -0.00 -0.96 -4.94 116.67 121.83 2h6r s ASP 62 Ca 0.04 2.24 -0.19 0.00 -0.00 0.00 0.00 52.55 54.63 2h6r s ASP 62 Cb -0.13 -2.60 0.08 0.00 -0.00 0.00 0.00 42.92 40.27 2h6r s ASP 62 CO -0.08 -0.79 1.58 0.21 -0.00 0.00 0.00 175.17 176.09 2h6r s ASN 63 N -1.40 6.75 0.03 0.27 2.47 -1.26 -4.65 114.94 117.15 2h6r s ASN 63 Ca 0.62 -2.18 -0.05 0.00 0.42 0.00 0.00 52.86 51.66 2h6r s ASN 63 Cb -0.27 -2.55 -0.01 0.00 -1.45 0.00 0.00 41.25 36.97 2h6r s ASN 63 CO 0.33 -1.22 0.09 0.27 -3.72 0.00 0.00 177.10 172.85 2h6r s ILE 64 N 4.08 0.13 -0.05 -5.21 -4.36 -1.26 -5.08 121.20 109.44 2h6r s ILE 64 Ca 0.49 -1.07 -0.03 0.00 -0.26 0.00 0.00 60.65 59.78 2h6r s ILE 64 Cb 0.02 -0.84 -0.04 0.00 1.25 0.00 0.00 42.46 42.85 2h6r s ILE 64 CO 0.01 -0.59 0.11 0.20 0.24 0.00 0.00 174.94 174.91 2h6r s ASN 65 N -2.05 5.99 -0.42 4.36 0.01 -1.26 -4.70 114.94 116.86 2h6r s ASN 65 Ca -0.06 0.29 -0.40 0.00 -0.71 0.00 0.00 52.86 51.98 2h6r s ASN 65 Cb -0.02 -1.83 -0.16 0.00 0.41 0.00 0.00 41.25 39.66 2h6r s ASN 65 CO -0.04 0.33 2.09 -2.65 -1.51 0.00 0.00 177.10 175.32 2h6r n PRO 66 N 1.53 0.54 0.00 -0.60 -0.02 -1.26 -4.64 135.00 130.54 2h6r n PRO 66 Ca -0.16 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2h6r n PRO 66 Cb 0.54 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 2h6r n PRO 66 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h6r n GLY 67 N 6.60 0.66 3.34 -1.23 0.00 -1.26 -5.08 105.19 108.23 2h6r n GLY 67 Ca 0.45 0.33 -0.47 0.00 0.00 0.00 0.00 46.02 46.34 2h6r n GLY 67 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2h6r s SER 68 N 2.00 6.79 -0.38 1.61 0.01 -1.26 -4.92 113.70 117.55 2h6r s SER 68 Ca 0.00 -2.69 0.02 0.00 1.31 0.00 0.00 55.95 54.60 2h6r s SER 68 Cb 0.00 -2.23 0.15 0.00 0.21 0.00 0.00 66.02 64.15 2h6r s SER 68 CO 0.00 -0.61 0.32 -1.00 0.41 0.00 0.00 173.24 172.37 2h6r s HIS 69 N 0.35 0.27 0.08 2.43 4.02 -1.26 -5.13 115.29 116.05 2h6r s HIS 69 Ca 0.21 -1.39 -0.31 0.00 1.02 0.00 0.00 55.06 54.59 2h6r s HIS 69 Cb -0.09 -0.65 -0.06 0.00 -1.02 0.00 0.00 32.58 30.76 2h6r s HIS 69 CO -0.09 -0.91 1.20 0.99 1.02 0.00 0.00 174.74 176.96 2h6r s THR 70 N 1.02 3.96 -0.12 1.30 2.01 -1.26 -3.28 115.64 119.27 2h6r s THR 70 Ca 0.21 1.43 0.00 0.00 0.31 0.00 0.00 61.69 63.64 2h6r s THR 70 Cb -0.14 -3.92 0.00 0.00 0.01 0.00 0.00 72.50 68.45 2h6r s THR 70 CO -0.04 0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.63 2h6r n GLY 71 N 3.09 0.48 3.67 4.40 0.00 -1.26 -5.05 105.19 110.53 2h6r n GLY 71 Ca 0.08 -0.86 -0.25 0.00 0.00 0.00 0.00 46.02 44.99 2h6r n GLY 71 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2h6r s HIS 72 N -2.03 2.81 -0.38 1.61 4.02 -1.20 -5.10 115.29 115.01 2h6r s HIS 72 Ca 0.00 -0.17 -0.18 0.00 1.02 0.00 0.00 55.06 55.73 2h6r s HIS 72 Cb 0.00 -1.31 0.01 0.00 -1.02 0.00 0.00 32.58 30.26 2h6r s HIS 72 CO 0.00 0.56 0.49 0.42 1.02 0.00 0.00 174.74 177.23 2h6r s ILE 73 N -2.00 5.03 -0.03 0.60 1.09 -1.26 -5.02 121.20 119.61 2h6r s ILE 73 Ca 0.29 0.07 -0.20 0.00 -1.10 0.00 0.00 60.65 59.72 2h6r s ILE 73 Cb -0.08 -4.00 -0.05 0.00 -1.06 0.00 0.00 42.46 37.27 2h6r s ILE 73 CO 0.20 -0.32 0.58 -0.22 -0.10 0.00 0.00 174.94 175.08 2h6r s LEU 74 N 2.34 4.38 0.17 2.97 1.98 -1.26 -2.26 118.68 127.00 2h6r s LEU 74 Ca 0.16 1.10 -0.15 0.00 -2.89 0.00 0.00 54.13 52.36 2h6r s LEU 74 Cb -0.16 -2.89 0.10 0.00 0.66 0.00 0.00 46.19 43.91 2h6r s LEU 74 CO 0.14 0.07 1.75 0.00 -1.89 0.00 0.00 176.35 176.42 2h6r h ALA 75 N 5.91 0.49 0.00 5.97 0.00 -1.84 -1.59 119.26 128.20 2h6r h ALA 75 Ca -0.44 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2h6r h ALA 75 Cb 1.20 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2h6r h ALA 75 CO 0.71 -0.25 0.00 0.93 0.00 0.00 0.00 179.25 180.64 2h6r h GLU 76 N 0.31 0.00 0.03 0.00 3.07 -1.95 -2.24 114.58 113.80 2h6r h GLU 76 Ca 0.19 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.84 2h6r h GLU 76 Cb 0.18 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 2h6r h GLU 76 CO -0.20 0.00 -0.97 0.00 -1.40 0.00 0.00 179.01 176.44 2h6r h ALA 77 N 2.02 0.40 -0.26 3.43 0.00 -1.71 -2.46 119.26 120.68 2h6r h ALA 77 Ca 0.00 -0.77 -0.09 0.00 0.00 0.00 0.00 54.91 54.05 2h6r h ALA 77 Cb 0.34 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2h6r h ALA 77 CO 0.00 0.95 -0.17 0.82 0.00 0.00 0.00 179.25 180.85 2h6r h ILE 78 N 0.10 1.30 0.00 0.00 5.03 -1.07 -2.97 117.51 119.90 2h6r h ILE 78 Ca -0.06 -1.29 -0.06 0.00 -0.12 0.00 0.00 64.86 63.33 2h6r h ILE 78 Cb 1.63 1.57 -0.01 0.00 -3.03 0.00 0.00 36.82 36.99 2h6r h ILE 78 CO 0.15 0.40 -0.27 0.50 -0.68 0.00 0.00 178.15 178.25 2h6r h LYS 79 N 0.31 0.00 0.00 2.37 3.11 -1.53 -2.40 116.57 118.43 2h6r h LYS 79 Ca 0.05 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 57.85 2h6r h LYS 79 Cb 0.70 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.92 2h6r h LYS 79 CO 0.05 0.27 -0.22 0.22 -2.81 0.00 0.00 179.45 176.96 2h6r h ASP 80 N 0.00 0.00 1.09 4.20 3.58 -1.28 -2.55 116.42 121.46 2h6r h ASP 80 Ca -0.00 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.33 2h6r h ASP 80 Cb 0.59 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.63 2h6r h ASP 80 CO 0.04 0.22 -0.55 0.00 -2.88 0.00 0.00 179.24 176.06 2h6r n GLY 82 N 0.79 1.16 3.78 0.00 0.00 -0.96 -4.70 105.19 105.25 2h6r n GLY 82 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2h6r n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h6r h LYS 84 N 1.87 0.00 0.00 0.00 3.64 -1.24 -3.45 116.57 117.39 2h6r h LYS 84 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2h6r h LYS 84 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2h6r h LYS 84 CO 0.60 0.56 0.00 0.41 -2.27 0.00 0.00 179.45 178.75 2h6r n GLY 85 N 1.31 2.33 3.49 5.01 0.00 -1.20 -0.27 105.19 115.86 2h6r n GLY 85 Ca -0.02 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 2h6r n GLY 85 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2h6r s THR 86 N -0.81 0.00 -0.14 2.61 -1.32 -0.47 -1.91 115.64 113.60 2h6r s THR 86 Ca 0.00 0.00 -0.06 0.00 -1.21 0.00 0.00 61.69 60.42 2h6r s THR 86 Cb 0.00 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 2h6r s THR 86 CO 0.00 0.00 0.07 -0.76 -2.21 0.00 0.00 174.62 171.72 2h6r s LEU 87 N -2.23 3.91 0.05 9.08 1.02 0.25 -1.49 118.68 129.27 2h6r s LEU 87 Ca 0.01 0.20 0.00 0.00 0.02 0.00 0.00 54.13 54.36 2h6r s LEU 87 Cb -0.01 -1.95 -0.03 0.00 0.02 0.00 0.00 46.19 44.22 2h6r s LEU 87 CO -0.06 0.29 -0.04 0.27 0.02 0.00 0.00 176.35 176.82 2h6r s ILE 88 N -0.32 0.30 -1.36 -0.59 -4.36 -0.97 -3.07 121.20 110.82 2h6r s ILE 88 Ca 0.09 -1.43 -0.07 0.00 -0.26 0.00 0.00 60.65 58.98 2h6r s ILE 88 Cb -0.12 -1.00 0.02 0.00 1.25 0.00 0.00 42.46 42.62 2h6r s ILE 88 CO 0.02 -0.73 1.05 -3.20 0.24 0.00 0.00 174.94 172.32 2h6r n ASN 89 N 0.77 -4.61 -4.82 4.36 4.05 -1.24 -0.16 115.26 113.62 2h6r n ASN 89 Ca -0.18 -0.64 -0.33 0.00 0.45 0.00 0.00 54.58 53.88 2h6r n ASN 89 Cb 0.58 -4.69 -0.02 0.00 1.23 0.00 0.00 39.78 36.88 2h6r n ASN 89 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 177.26 171.93 2h6r s HIS 90 N -3.36 3.15 0.66 1.20 2.46 -1.03 -4.06 115.29 114.31 2h6r s HIS 90 Ca 0.43 1.51 0.35 0.00 0.47 0.00 0.00 55.06 57.82 2h6r s HIS 90 Cb -0.20 -2.94 1.90 0.00 -0.13 0.00 0.00 32.58 31.21 2h6r s HIS 90 CO 0.76 -0.77 2.07 0.66 -2.47 0.00 0.00 174.74 174.99 2h6r h SER 91 N 0.87 0.00 0.38 9.88 4.64 -1.93 0.28 113.55 127.67 2h6r h SER 91 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2h6r h SER 91 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2h6r h SER 91 CO 0.59 0.00 -1.45 -0.62 -0.87 0.00 0.00 176.83 174.48 2h6r n GLU 92 N -2.99 0.53 -3.21 4.77 1.02 -1.26 -4.61 120.64 114.89 2h6r n GLU 92 Ca -0.02 -0.05 -0.23 0.00 -0.02 0.00 0.00 57.16 56.83 2h6r n GLU 92 Cb 0.28 -1.62 -0.07 0.00 -0.02 0.00 0.00 31.44 30.01 2h6r n GLU 92 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2h6r n LYS 93 N -2.28 0.55 -2.73 3.49 3.00 0.92 -5.12 118.16 115.98 2h6r n LYS 93 Ca -0.01 -3.09 -0.39 0.00 -0.00 0.00 0.00 58.31 54.82 2h6r n LYS 93 Cb 0.52 -1.37 -0.06 0.00 0.00 0.00 0.00 35.03 34.13 2h6r n LYS 93 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2h6r s ARG 94 N -0.65 4.71 0.44 1.64 0.52 -0.77 -2.47 118.95 122.38 2h6r s ARG 94 Ca 0.34 1.46 0.06 0.00 -0.52 0.00 0.00 55.73 57.07 2h6r s ARG 94 Cb 0.13 -3.07 -0.03 0.00 0.52 0.00 0.00 34.95 32.50 2h6r s ARG 94 CO -0.14 0.38 0.20 -1.64 0.02 0.00 0.00 175.30 174.12 2h6r s MET 95 N -1.57 2.23 0.68 3.54 -1.94 -1.26 -4.97 119.30 116.02 2h6r s MET 95 Ca 0.45 -1.92 -0.11 0.00 -1.71 0.00 0.00 55.69 52.40 2h6r s MET 95 Cb -0.24 -1.96 0.00 0.00 2.01 0.00 0.00 34.83 34.64 2h6r s MET 95 CO 0.30 -0.23 1.06 -0.51 -0.01 0.00 0.00 175.02 175.63 2h6r s LEU 96 N -3.97 3.17 0.09 -0.03 1.43 -1.26 -4.91 118.68 113.20 2h6r s LEU 96 Ca 0.36 1.62 -0.21 0.00 -1.03 0.00 0.00 54.13 54.88 2h6r s LEU 96 Cb 0.02 -4.50 -0.10 0.00 0.03 0.00 0.00 46.19 41.65 2h6r s LEU 96 CO 0.20 -1.39 1.67 0.25 0.23 0.00 0.00 176.35 177.31 2h6r h LEU 97 N -0.60 0.19 -1.61 1.79 6.46 -2.01 -2.49 115.31 117.05 2h6r h LEU 97 Ca -0.44 -0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.19 2h6r h LEU 97 Cb 1.21 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 41.09 2h6r h LEU 97 CO 0.57 0.25 -0.11 0.00 -0.62 0.00 0.00 178.44 178.53 2h6r h ALA 98 N 0.95 1.09 -0.04 1.25 0.00 -2.00 -3.04 119.26 117.47 2h6r h ALA 98 Ca 0.05 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 2h6r h ALA 98 Cb 0.10 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.88 2h6r h ALA 98 CO -0.01 0.14 -0.45 -0.44 0.00 0.00 0.00 179.25 178.49 2h6r h ASP 99 N 0.00 0.47 0.70 0.00 5.19 -1.83 -3.04 116.42 117.91 2h6r h ASP 99 Ca -0.00 -0.70 -0.11 0.00 -0.62 0.00 0.00 57.03 55.60 2h6r h ASP 99 Cb 0.50 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.85 2h6r h ASP 99 CO 0.01 1.10 -0.52 0.16 -3.12 0.00 0.00 179.24 176.88 2h6r h ILE 100 N -0.13 1.23 -0.23 0.35 3.07 -1.44 -1.70 117.51 118.65 2h6r h ILE 100 Ca -0.04 -1.87 -0.14 0.00 1.55 0.00 0.00 64.86 64.35 2h6r h ILE 100 Cb 1.13 2.05 -0.01 0.00 -0.27 0.00 0.00 36.82 39.73 2h6r h ILE 100 CO 0.09 0.51 -0.45 -0.08 -1.05 0.00 0.00 178.15 177.17 2h6r h GLU 101 N 0.00 0.57 0.01 0.16 4.22 -1.61 -1.07 114.58 116.85 2h6r h GLU 101 Ca -0.01 -0.31 -0.19 0.00 0.08 0.00 0.00 59.36 58.94 2h6r h GLU 101 Cb 1.01 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 2h6r h GLU 101 CO 0.07 0.90 -0.87 0.00 -2.18 0.00 0.00 179.01 176.93 2h6r h ALA 102 N 1.05 0.56 -0.28 2.92 0.00 -1.40 -2.64 119.26 119.47 2h6r h ALA 102 Ca 0.03 -0.77 -0.10 0.00 0.00 0.00 0.00 54.91 54.08 2h6r h ALA 102 Cb 0.96 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2h6r h ALA 102 CO 0.09 1.03 -0.20 0.28 0.00 0.00 0.00 179.25 180.44 2h6r h VAL 103 N 0.03 1.30 -0.72 0.00 2.07 -1.11 -0.41 116.25 117.41 2h6r h VAL 103 Ca -0.02 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 2h6r h VAL 103 Cb 1.53 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.83 2h6r h VAL 103 CO 0.12 0.42 0.40 0.40 0.02 0.00 0.00 177.57 178.93 2h6r h ILE 104 N 0.36 1.22 -0.51 4.57 5.03 -1.22 -0.13 117.51 126.83 2h6r h ILE 104 Ca 0.05 -0.53 -0.01 0.00 -0.12 0.00 0.00 64.86 64.25 2h6r h ILE 104 Cb 0.75 0.27 -0.02 0.00 -3.03 0.00 0.00 36.82 34.78 2h6r h ILE 104 CO 0.05 0.24 0.27 0.78 -0.68 0.00 0.00 178.15 178.81 2h6r h ASN 105 N 0.99 0.64 -0.46 1.72 -0.26 -1.29 -0.56 115.58 116.36 2h6r h ASN 105 Ca 0.25 -0.10 -0.07 0.00 -0.56 0.00 0.00 56.30 55.82 2h6r h ASN 105 Cb 0.03 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.10 2h6r h ASN 105 CO -0.04 0.56 0.03 0.11 -1.06 0.00 0.00 177.43 177.02 2h6r h LYS 106 N 0.68 0.86 -0.19 0.81 1.57 -0.66 -0.85 116.57 118.78 2h6r h LYS 106 Ca 0.18 -0.23 -0.14 0.00 -1.87 0.00 0.00 60.65 58.59 2h6r h LYS 106 Cb 0.06 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2h6r h LYS 106 CO -0.03 0.84 -0.46 0.00 -0.57 0.00 0.00 179.45 179.24 2h6r h LYS 108 N 0.39 0.43 0.00 0.00 1.79 -0.84 1.11 116.57 119.45 2h6r h LYS 108 Ca 0.03 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 2h6r h LYS 108 Cb 0.95 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.64 2h6r h LYS 108 CO 0.08 0.87 0.00 -0.91 -1.08 0.00 0.00 179.45 178.42 2h6r h ASN 109 N 0.33 0.00 0.00 0.86 -0.26 -0.93 -3.14 115.58 112.44 2h6r h ASN 109 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2h6r h ASN 109 Cb 1.08 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.34 2h6r h ASN 109 CO 0.10 0.00 -0.70 0.18 -1.06 0.00 0.00 177.43 175.95 2h6r n LEU 110 N -2.55 0.40 0.00 1.61 4.77 -0.60 -5.00 117.00 115.64 2h6r n LEU 110 Ca 0.03 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 2h6r n LEU 110 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2h6r n LEU 110 CO 0.27 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 2h6r n GLY 111 N 1.38 0.74 3.79 -0.72 0.00 0.14 -5.06 105.19 105.45 2h6r n GLY 111 Ca 0.01 -0.22 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 2h6r n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2h6r s LEU 112 N 0.00 4.55 0.45 0.99 1.43 0.34 -4.92 118.68 121.52 2h6r s LEU 112 Ca 0.00 1.46 -0.21 0.00 -1.03 0.00 0.00 54.13 54.34 2h6r s LEU 112 Cb 0.00 -3.11 -0.09 0.00 0.03 0.00 0.00 46.19 43.02 2h6r s LEU 112 CO 0.00 0.22 1.01 -0.70 0.23 0.00 0.00 176.35 177.11 2h6r s GLU 113 N -1.04 4.02 -0.20 1.70 2.12 0.63 -4.18 118.70 121.75 2h6r s GLU 113 Ca 0.33 1.31 0.01 0.00 0.36 0.00 0.00 54.97 56.98 2h6r s GLU 113 Cb -0.21 -2.21 0.03 0.00 0.26 0.00 0.00 34.13 31.99 2h6r s GLU 113 CO 0.23 -0.23 -0.18 0.95 -0.54 0.00 0.00 175.26 175.49 2h6r s THR 114 N -1.98 2.09 -0.72 -1.70 -4.23 -1.26 -1.36 115.64 106.47 2h6r s THR 114 Ca 0.64 -1.12 0.02 0.00 -1.18 0.00 0.00 61.69 60.05 2h6r s THR 114 Cb -0.15 -1.97 0.18 0.00 1.34 0.00 0.00 72.50 71.90 2h6r s THR 114 CO 0.19 0.40 0.54 -0.63 -0.54 0.00 0.00 174.62 174.57 2h6r s ILE 115 N 1.24 3.43 -0.21 2.99 1.01 -0.56 -1.71 121.20 127.40 2h6r s ILE 115 Ca 0.01 -3.81 -0.26 0.00 0.00 0.00 0.00 60.65 56.59 2h6r s ILE 115 Cb -0.15 -3.22 -0.01 0.00 0.01 0.00 0.00 42.46 39.10 2h6r s ILE 115 CO -0.11 -0.98 0.88 0.54 0.00 0.00 0.00 174.94 175.27 2h6r s VAL 116 N -1.04 4.82 0.41 2.92 0.11 -0.86 -2.29 120.40 124.47 2h6r s VAL 116 Ca 0.23 1.70 -0.22 0.00 -2.93 0.00 0.00 61.98 60.76 2h6r s VAL 116 Cb -0.11 -4.17 -0.11 0.00 -1.53 0.00 0.00 36.38 30.47 2h6r s VAL 116 CO -0.11 -0.06 0.96 0.00 -3.33 0.00 0.00 175.10 172.56 2h6r s THR 118 N -2.02 0.28 -0.07 0.00 -1.32 0.36 -4.60 115.64 108.27 2h6r s THR 118 Ca 0.59 -1.86 0.04 0.00 -1.21 0.00 0.00 61.69 59.25 2h6r s THR 118 Cb -0.12 -1.71 -0.07 0.00 -1.51 0.00 0.00 72.50 69.09 2h6r s THR 118 CO 0.16 -0.82 -0.02 -0.46 -2.21 0.00 0.00 174.62 171.28 2h6r n ASN 119 N 0.02 3.39 -4.72 8.08 0.23 -1.26 -1.80 115.26 119.20 2h6r n ASN 119 Ca -0.11 -0.02 -0.25 0.00 -0.53 0.00 0.00 54.58 53.67 2h6r n ASN 119 Cb 0.62 0.33 -0.08 0.00 -2.08 0.00 0.00 39.78 38.57 2h6r n ASN 119 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 2h6r s ASN 120 N -4.21 4.35 0.16 0.53 0.02 -1.26 -4.28 114.94 110.24 2h6r s ASN 120 Ca -0.06 -1.12 0.10 0.00 -1.02 0.00 0.00 52.86 50.76 2h6r s ASN 120 Cb 0.02 -0.47 -0.12 0.00 0.02 0.00 0.00 41.25 40.70 2h6r s ASN 120 CO 0.23 -0.53 1.27 0.16 0.02 0.00 0.00 177.10 178.25 2h6r h ILE 121 N 1.48 1.32 -0.09 0.60 3.07 -1.97 -2.04 117.51 119.88 2h6r h ILE 121 Ca -0.43 -2.91 -0.14 0.00 1.55 0.00 0.00 64.86 62.92 2h6r h ILE 121 Cb 1.25 2.64 -0.01 0.00 -0.27 0.00 0.00 36.82 40.43 2h6r h ILE 121 CO 0.71 0.75 -0.58 0.78 -1.05 0.00 0.00 178.15 178.76 2h6r h ASN 122 N 0.00 0.31 1.59 2.16 2.35 -1.99 -2.12 115.58 117.89 2h6r h ASN 122 Ca -0.04 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 2h6r h ASN 122 Cb 1.65 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.93 2h6r h ASN 122 CO 0.10 0.82 -0.15 0.71 -1.65 0.00 0.00 177.43 177.27 2h6r h THR 123 N 0.21 0.00 -0.02 2.81 1.35 -1.95 -2.89 112.91 112.41 2h6r h THR 123 Ca -0.00 -0.74 -0.03 0.00 -0.55 0.00 0.00 66.41 65.08 2h6r h THR 123 Cb 1.08 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 2h6r h THR 123 CO 0.09 0.00 -0.11 0.28 -0.25 0.00 0.00 175.52 175.53 2h6r h SER 124 N 0.00 0.14 0.52 5.36 0.02 -0.81 -2.85 113.55 115.93 2h6r h SER 124 Ca 0.00 -0.67 0.00 0.00 -0.84 0.00 0.00 61.79 60.28 2h6r h SER 124 Cb 0.87 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.37 2h6r h SER 124 CO 0.00 0.78 0.00 2.29 -1.14 0.00 0.00 176.83 178.76 2h6r n LYS 125 N -4.65 0.35 -0.01 3.45 2.85 -0.85 -2.17 118.16 117.14 2h6r n LYS 125 Ca -0.09 0.04 -0.17 0.00 -1.05 0.00 0.00 58.31 57.04 2h6r n LYS 125 Cb 0.39 -1.50 -0.13 0.00 -0.65 0.00 0.00 35.03 33.14 2h6r n LYS 125 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2h6r h ALA 126 N 3.22 -0.03 0.00 0.58 0.00 -1.41 -3.29 119.26 118.33 2h6r h ALA 126 Ca 0.00 -0.58 -0.07 0.00 0.00 0.00 0.00 54.91 54.25 2h6r h ALA 126 Cb 0.26 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2h6r h ALA 126 CO 0.00 0.19 -0.35 0.28 0.00 0.00 0.00 179.25 179.36 2h6r h VAL 127 N -0.63 0.70 -0.02 0.00 2.07 -1.45 -2.98 116.25 113.94 2h6r h VAL 127 Ca -0.07 -1.65 0.01 0.00 0.82 0.00 0.00 66.70 65.80 2h6r h VAL 127 Cb 1.29 2.10 -0.00 0.00 -1.52 0.00 0.00 31.29 33.16 2h6r h VAL 127 CO 0.08 0.35 0.04 0.00 0.02 0.00 0.00 177.57 178.05 2h6r h ALA 128 N 1.65 1.32 0.00 1.67 0.00 -1.50 0.17 119.26 122.56 2h6r h ALA 128 Ca -0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 2h6r h ALA 128 Cb 1.07 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2h6r h ALA 128 CO 0.05 -0.05 -0.68 0.00 0.00 0.00 0.00 179.25 178.56 2h6r h ALA 129 N 1.94 0.59 0.00 0.00 0.00 -1.60 -3.04 119.26 117.14 2h6r h ALA 129 Ca 0.01 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2h6r h ALA 129 Cb 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2h6r h ALA 129 CO -0.00 0.85 0.00 1.28 0.00 0.00 0.00 179.25 181.38 2h6r n LEU 130 N -3.32 0.46 -3.00 0.00 4.32 0.58 -4.96 117.00 111.07 2h6r n LEU 130 Ca 0.01 0.57 -0.01 0.00 -0.02 0.00 0.00 56.01 56.56 2h6r n LEU 130 Cb 0.79 -0.46 0.01 0.00 -1.62 0.00 0.00 43.42 42.14 2h6r n LEU 130 CO 0.43 -0.25 0.31 -1.20 -1.22 0.00 0.00 177.39 175.46 2h6r n SER 131 N -1.96 -7.46 -2.64 -1.43 7.64 -1.11 -5.00 113.62 101.66 2h6r n SER 131 Ca 0.05 -0.11 -0.07 0.00 1.01 0.00 0.00 58.87 59.75 2h6r n SER 131 Cb 0.32 -5.12 0.04 0.00 -1.01 0.00 0.00 64.21 58.44 2h6r n SER 131 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2h6r n PRO 132 N -1.84 0.20 -0.01 1.43 -0.04 -1.26 -5.04 135.00 128.44 2h6r n PRO 132 Ca -0.01 -0.69 -0.22 0.00 -0.04 0.00 0.00 63.50 62.55 2h6r n PRO 132 Cb 0.51 -0.23 -0.14 0.00 -0.04 0.00 0.00 33.50 33.60 2h6r n PRO 132 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2h6r h ASP 133 N -0.25 0.35 -5.02 3.54 3.32 -1.92 -3.44 116.42 112.99 2h6r h ASP 133 Ca -0.10 -0.84 -0.06 0.00 0.02 0.00 0.00 57.03 56.04 2h6r h ASP 133 Cb 0.33 -0.11 -0.16 0.00 0.22 0.00 0.00 39.33 39.60 2h6r h ASP 133 CO 0.09 1.73 0.01 0.00 -1.72 0.00 0.00 179.24 179.36 2h6r s ILE 135 N -2.39 0.63 -0.17 0.00 2.07 -0.78 -2.03 121.20 118.53 2h6r s ILE 135 Ca -0.06 -0.14 -0.15 0.00 -1.41 0.00 0.00 60.65 58.90 2h6r s ILE 135 Cb -0.01 -0.66 -0.04 0.00 0.13 0.00 0.00 42.46 41.88 2h6r s ILE 135 CO -0.01 0.26 0.33 0.00 -1.91 0.00 0.00 174.94 173.60 2h6r s ALA 136 N 1.13 3.57 0.23 1.50 0.00 -0.60 0.35 121.76 127.93 2h6r s ALA 136 Ca -0.07 -0.46 0.06 0.00 0.00 0.00 0.00 51.96 51.48 2h6r s ALA 136 Cb -0.14 -2.47 -0.03 0.00 0.00 0.00 0.00 23.12 20.48 2h6r s ALA 136 CO -0.01 -0.02 0.24 0.08 0.00 0.00 0.00 175.76 176.05 2h6r s VAL 137 N 0.70 4.76 -0.66 0.00 1.01 0.28 0.13 120.40 126.62 2h6r s VAL 137 Ca 0.18 -1.18 0.04 0.00 0.00 0.00 0.00 61.98 61.02 2h6r s VAL 137 Cb -0.14 -3.54 0.16 0.00 0.00 0.00 0.00 36.38 32.86 2h6r s VAL 137 CO 0.05 -0.29 0.44 -0.70 0.00 0.00 0.00 175.10 174.61 2h6r s GLU 138 N -3.72 2.37 0.15 2.72 2.12 -0.74 -2.27 118.70 119.33 2h6r s GLU 138 Ca 0.33 -3.16 -0.24 0.00 0.36 0.00 0.00 54.97 52.26 2h6r s GLU 138 Cb -0.09 -3.42 0.03 0.00 0.26 0.00 0.00 34.13 30.91 2h6r s GLU 138 CO 0.26 -1.24 1.61 -1.35 -0.54 0.00 0.00 175.26 174.00 2h6r h PRO 139 N 5.70 -0.28 -0.76 4.30 0.11 -1.90 -3.43 132.00 135.74 2h6r h PRO 139 Ca 0.09 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.22 2h6r h PRO 139 Cb 0.79 0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.97 2h6r h PRO 139 CO 0.72 -0.19 0.00 -2.30 -0.21 0.00 0.00 178.00 176.02 2h6r n PRO 140 N -5.40 0.00 0.00 1.05 -0.02 -1.26 -5.09 135.00 124.28 2h6r n PRO 140 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2h6r n PRO 140 Cb 0.32 -0.20 0.00 0.00 -0.02 0.00 0.00 33.50 33.60 2h6r n PRO 140 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2h6r n VAL 157 N 0.38 0.00 -0.16 -1.45 0.31 -1.26 -5.22 118.33 110.93 2h6r n VAL 157 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 2h6r n VAL 157 Cb 0.00 -0.11 0.12 0.00 -0.91 0.00 0.00 33.84 32.94 2h6r n VAL 157 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2h6r h GLU 158 N 0.00 0.93 0.00 5.55 4.81 -1.95 -1.19 114.58 122.73 2h6r h GLU 158 Ca 0.00 -0.24 -0.06 0.00 -0.13 0.00 0.00 59.36 58.93 2h6r h GLU 158 Cb 0.00 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 2h6r h GLU 158 CO 0.00 0.88 -0.31 0.78 -0.73 0.00 0.00 179.01 179.63 2h6r h GLY 159 N 1.01 0.00 1.67 1.92 0.00 -2.00 -2.56 103.07 103.11 2h6r h GLY 159 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.24 2h6r h GLY 159 CO 0.01 0.00 -1.17 -0.84 0.00 0.00 0.00 176.54 174.55 2h6r h THR 160 N 0.00 1.51 -0.24 4.70 2.02 -1.86 -2.91 112.91 116.14 2h6r h THR 160 Ca -0.00 -3.02 -0.11 0.00 0.77 0.00 0.00 66.41 64.04 2h6r h THR 160 Cb 0.92 2.86 -0.00 0.00 -1.74 0.00 0.00 68.15 70.19 2h6r h THR 160 CO 0.04 0.88 -0.29 0.58 0.37 0.00 0.00 175.52 177.10 2h6r h VAL 161 N 0.08 1.32 0.00 3.16 2.07 -1.11 -2.67 116.25 119.10 2h6r h VAL 161 Ca -0.11 -1.48 -0.08 0.00 0.82 0.00 0.00 66.70 65.85 2h6r h VAL 161 Cb 1.89 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 33.35 2h6r h VAL 161 CO 0.19 0.46 -0.37 0.08 0.02 0.00 0.00 177.57 177.95 2h6r h ARG 162 N 0.33 0.00 -0.11 1.57 0.11 -1.56 -1.38 114.38 113.33 2h6r h ARG 162 Ca 0.03 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.90 2h6r h ARG 162 Cb 0.86 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.95 2h6r h ARG 162 CO 0.07 0.37 -0.79 0.00 0.10 0.00 0.00 179.97 179.72 2h6r h ALA 163 N 1.63 0.40 0.07 0.08 0.00 -1.47 -2.74 119.26 117.22 2h6r h ALA 163 Ca -0.00 -0.62 -0.27 0.00 0.00 0.00 0.00 54.91 54.02 2h6r h ALA 163 Cb 0.89 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.68 2h6r h ALA 163 CO 0.05 0.72 -1.14 0.28 0.00 0.00 0.00 179.25 179.16 2h6r h VAL 164 N 0.42 1.34 0.00 0.00 2.07 -1.39 -3.24 116.25 115.44 2h6r h VAL 164 Ca -0.05 -2.50 -0.03 0.00 0.82 0.00 0.00 66.70 64.94 2h6r h VAL 164 Cb 1.40 2.61 -0.00 0.00 -1.52 0.00 0.00 31.29 33.78 2h6r h VAL 164 CO 0.15 0.75 -0.14 0.50 0.02 0.00 0.00 177.57 178.86 2h6r h LYS 165 N 0.26 0.00 0.07 1.57 3.64 -1.29 0.13 116.57 120.94 2h6r h LYS 165 Ca -0.15 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 58.99 2h6r h LYS 165 Cb 1.81 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.63 2h6r h LYS 165 CO 0.21 0.14 -1.09 0.93 -2.27 0.00 0.00 179.45 177.38 2h6r h GLU 166 N 0.00 0.29 0.16 1.90 5.08 -1.53 -2.68 114.58 117.80 2h6r h GLU 166 Ca -0.00 -0.40 -0.22 0.00 -1.00 0.00 0.00 59.36 57.74 2h6r h GLU 166 Cb 0.45 0.13 0.02 0.00 0.50 0.00 0.00 28.75 29.86 2h6r h GLU 166 CO 0.02 1.14 -0.94 0.82 -1.00 0.00 0.00 179.01 179.04 2h6r h ILE 167 N 0.12 1.46 -2.02 3.13 1.08 -1.51 -3.44 117.51 116.34 2h6r h ILE 167 Ca -0.10 -2.55 -0.20 0.00 -0.39 0.00 0.00 64.86 61.63 2h6r h ILE 167 Cb 1.77 3.14 -0.31 0.00 -3.07 0.00 0.00 36.82 38.35 2h6r h ILE 167 CO 0.18 0.73 -0.52 0.21 -0.69 0.00 0.00 178.15 178.06 2h6r s ASN 168 N -7.09 0.56 0.23 1.72 2.47 0.42 -4.92 114.94 108.33 2h6r s ASN 168 Ca -0.13 0.04 0.25 0.00 0.42 0.00 0.00 52.86 53.44 2h6r s ASN 168 Cb 0.02 0.94 0.88 0.00 -1.45 0.00 0.00 41.25 41.63 2h6r s ASN 168 CO 0.86 -0.31 1.76 1.17 -3.72 0.00 0.00 177.10 176.85 2h6r n LYS 169 N 5.35 0.24 0.00 0.43 3.00 -1.01 -3.18 118.16 122.99 2h6r n LYS 169 Ca -0.04 0.29 0.12 0.00 -0.00 0.00 0.00 58.31 58.69 2h6r n LYS 169 Cb 0.50 -1.83 0.34 0.00 0.00 0.00 0.00 35.03 34.04 2h6r n LYS 169 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2h6r n ASP 170 N -2.26 0.38 -4.64 3.14 8.00 -1.26 -4.81 116.55 115.11 2h6r n ASP 170 Ca 0.04 -0.07 -0.41 0.00 0.71 0.00 0.00 54.79 55.07 2h6r n ASP 170 Cb 0.36 0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 41.47 2h6r n ASP 170 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2h6r s VAL 171 N -3.00 4.97 0.20 2.53 1.01 -1.19 -5.00 120.40 119.92 2h6r s VAL 171 Ca 0.12 1.26 -0.19 0.00 0.00 0.00 0.00 61.98 63.16 2h6r s VAL 171 Cb 0.18 -3.98 -0.08 0.00 0.00 0.00 0.00 36.38 32.50 2h6r s VAL 171 CO 0.66 0.04 0.70 -1.59 0.00 0.00 0.00 175.10 174.91 2h6r s LYS 172 N 2.33 4.23 -0.14 2.72 -2.85 -1.22 -4.76 119.74 120.05 2h6r s LYS 172 Ca 0.29 0.83 -0.08 0.00 -1.00 0.00 0.00 55.97 56.02 2h6r s LYS 172 Cb -0.16 -2.92 -0.04 0.00 -2.06 0.00 0.00 37.83 32.65 2h6r s LYS 172 CO 0.09 0.42 0.13 0.08 0.10 0.00 0.00 175.35 176.18 2h6r s VAL 173 N -1.48 5.44 0.06 1.79 1.01 -1.26 -1.86 120.40 124.10 2h6r s VAL 173 Ca 0.41 0.19 0.09 0.00 0.00 0.00 0.00 61.98 62.67 2h6r s VAL 173 Cb -0.17 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 2h6r s VAL 173 CO 0.21 0.58 -0.26 -0.76 0.00 0.00 0.00 175.10 174.87 2h6r s LEU 174 N -0.68 2.20 -0.26 3.92 1.43 0.16 -0.24 118.68 125.20 2h6r s LEU 174 Ca 0.13 -0.61 -0.09 0.00 -1.03 0.00 0.00 54.13 52.53 2h6r s LEU 174 Cb -0.12 -1.23 -0.03 0.00 0.03 0.00 0.00 46.19 44.84 2h6r s LEU 174 CO 0.03 0.23 0.11 0.00 0.23 0.00 0.00 176.35 176.95 2h6r n GLY 176 N 4.97 3.45 3.48 0.00 0.00 -0.96 -1.48 105.19 114.66 2h6r n GLY 176 Ca -0.15 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 43.96 2h6r n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h6r s ALA 177 N -1.63 -2.60 -1.03 4.61 0.00 -1.26 -4.70 121.76 115.15 2h6r s ALA 177 Ca 0.37 2.08 -0.07 0.00 0.00 0.00 0.00 51.96 54.34 2h6r s ALA 177 Cb 0.18 -1.95 -0.06 0.00 0.00 0.00 0.00 23.12 21.29 2h6r s ALA 177 CO -0.08 -0.71 0.89 0.41 0.00 0.00 0.00 175.76 176.26 2h6r n GLY 178 N 4.40 -1.16 2.86 0.00 0.00 -1.26 -4.90 105.19 105.13 2h6r n GLY 178 Ca -0.13 0.57 -0.27 0.00 0.00 0.00 0.00 46.02 46.20 2h6r n GLY 178 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2h6r s ILE 179 N -3.36 0.89 0.00 -0.61 1.01 -1.26 -4.97 121.20 112.89 2h6r s ILE 179 Ca 0.42 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.71 2h6r s ILE 179 Cb -0.06 -1.04 0.00 0.00 0.01 0.00 0.00 42.46 41.37 2h6r s ILE 179 CO 0.75 0.21 0.00 -0.24 0.00 0.00 0.00 174.94 175.66 2h6r n SER 180 N 4.97 0.70 -4.69 3.58 2.88 -1.26 -4.80 113.62 114.99 2h6r n SER 180 Ca -0.11 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.18 2h6r n SER 180 Cb 0.49 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 64.05 2h6r n SER 180 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2h6r s LYS 181 N -1.90 1.75 0.04 -1.46 1.02 -1.26 -4.73 119.74 113.20 2h6r s LYS 181 Ca 0.00 -0.64 -0.14 0.00 0.02 0.00 0.00 55.97 55.21 2h6r s LYS 181 Cb 0.00 -2.20 -0.34 0.00 -0.52 0.00 0.00 37.83 34.78 2h6r s LYS 181 CO 0.00 -1.48 1.04 0.78 -0.92 0.00 0.00 175.35 174.76 2h6r h GLY 182 N -0.71 0.60 1.52 -3.33 0.00 -1.86 -3.33 103.07 95.97 2h6r h GLY 182 Ca -0.41 -1.48 -0.00 0.00 0.00 0.00 0.00 47.33 45.43 2h6r h GLY 182 CO 0.48 1.30 0.30 1.05 0.00 0.00 0.00 176.54 179.67 2h6r h GLU 183 N 0.16 0.64 0.00 4.80 9.09 -1.94 -1.66 114.58 125.68 2h6r h GLU 183 Ca -0.23 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 59.13 2h6r h GLU 183 Cb 2.10 -0.14 0.00 0.00 -1.65 0.00 0.00 28.75 29.06 2h6r h GLU 183 CO 0.26 0.45 0.02 -0.25 0.05 0.00 0.00 179.01 179.54 2h6r n ASP 184 N -4.44 0.00 -0.02 3.06 8.00 -1.25 -0.61 116.55 121.29 2h6r n ASP 184 Ca 0.04 0.21 -0.06 0.00 0.71 0.00 0.00 54.79 55.70 2h6r n ASP 184 Cb 0.07 -0.21 -0.02 0.00 -0.02 0.00 0.00 41.12 40.94 2h6r n ASP 184 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2h6r n VAL 185 N -1.19 0.72 -0.26 2.53 0.31 -0.67 -3.76 118.33 116.01 2h6r n VAL 185 Ca 0.00 0.06 -0.00 0.00 -0.01 0.00 0.00 64.34 64.39 2h6r n VAL 185 Cb 0.02 -1.66 0.07 0.00 -0.91 0.00 0.00 33.84 31.36 2h6r n VAL 185 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2h6r h LYS 186 N -0.25 -0.04 -0.25 5.55 1.63 -1.13 1.78 116.57 123.86 2h6r h LYS 186 Ca -0.11 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.74 2h6r h LYS 186 Cb 0.82 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.45 2h6r h LYS 186 CO -0.07 -0.03 0.18 0.00 -3.45 0.00 0.00 179.45 176.08 2h6r h ALA 187 N 1.54 2.11 0.01 5.00 0.00 -1.09 -1.55 119.26 125.28 2h6r h ALA 187 Ca 0.34 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.12 2h6r h ALA 187 Cb 0.57 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.35 2h6r h ALA 187 CO -0.79 -0.17 -0.46 0.00 0.00 0.00 0.00 179.25 177.84 2h6r h ALA 188 N 1.87 0.05 0.00 0.00 0.00 0.24 -3.30 119.26 118.11 2h6r h ALA 188 Ca 0.11 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2h6r h ALA 188 Cb 0.33 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2h6r h ALA 188 CO -0.01 0.24 0.00 1.47 0.00 0.00 0.00 179.25 180.94 2h6r n LEU 189 N -4.34 0.79 0.00 0.00 -0.00 0.84 -2.59 117.00 111.70 2h6r n LEU 189 Ca -0.10 0.61 0.14 0.00 -0.00 0.00 0.00 56.01 56.66 2h6r n LEU 189 Cb 0.61 -0.40 0.62 0.00 -0.00 0.00 0.00 43.42 44.25 2h6r n LEU 189 CO 0.43 -0.32 0.96 0.47 -0.00 0.00 0.00 177.39 178.94 2h6r n ASP 190 N -2.28 0.00 -1.11 1.45 8.00 -0.60 -3.05 116.55 118.95 2h6r n ASP 190 Ca 0.04 0.47 0.11 0.00 0.71 0.00 0.00 54.79 56.13 2h6r n ASP 190 Cb 0.37 -0.49 0.22 0.00 -0.02 0.00 0.00 41.12 41.19 2h6r n ASP 190 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2h6r n LEU 191 N -1.49 3.43 0.00 0.64 4.77 -1.07 -4.94 117.00 118.34 2h6r n LEU 191 Ca 0.07 -1.58 0.00 0.00 -0.03 0.00 0.00 56.01 54.47 2h6r n LEU 191 Cb 0.33 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2h6r n LEU 191 CO 0.27 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.70 2h6r n GLY 192 N 1.41 1.78 3.76 -0.72 0.00 -1.17 -4.40 105.19 105.85 2h6r n GLY 192 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 2h6r n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h6r s ALA 193 N -2.14 2.82 -0.22 4.61 0.00 -1.19 -4.73 121.76 120.91 2h6r s ALA 193 Ca 0.00 1.10 0.12 0.00 0.00 0.00 0.00 51.96 53.18 2h6r s ALA 193 Cb 0.00 -3.47 0.44 0.00 0.00 0.00 0.00 23.12 20.09 2h6r s ALA 193 CO 0.00 -1.04 1.20 0.39 0.00 0.00 0.00 175.76 176.31 2h6r n GLU 194 N -0.95 2.07 0.00 0.00 1.02 0.67 -4.38 120.64 119.07 2h6r n GLU 194 Ca 0.10 -3.45 0.00 0.00 -0.02 0.00 0.00 57.16 53.79 2h6r n GLU 194 Cb 0.47 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 2h6r n GLU 194 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2h6r n GLY 195 N -0.75 1.52 2.87 0.62 0.00 -1.23 -2.71 105.19 105.51 2h6r n GLY 195 Ca 0.25 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 2h6r n GLY 195 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2h6r s VAL 196 N -2.00 -0.01 -0.10 1.61 1.01 0.13 -2.10 120.40 118.95 2h6r s VAL 196 Ca 0.00 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.01 2h6r s VAL 196 Cb 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 36.38 36.37 2h6r s VAL 196 CO 0.00 0.01 -0.12 -0.22 0.00 0.00 0.00 175.10 174.77 2h6r s LEU 197 N 0.10 1.53 0.26 3.92 0.20 -0.55 -0.29 118.68 123.86 2h6r s LEU 197 Ca -0.01 -0.35 -0.05 0.00 0.69 0.00 0.00 54.13 54.41 2h6r s LEU 197 Cb -0.01 -0.94 -0.02 0.00 -0.43 0.00 0.00 46.19 44.79 2h6r s LEU 197 CO -0.00 -0.03 0.34 -1.48 -0.29 0.00 0.00 176.35 174.89 2h6r s LEU 198 N 1.14 0.89 0.00 -0.68 0.05 -0.72 -3.99 118.68 115.36 2h6r s LEU 198 Ca -0.05 -1.29 0.00 0.00 0.05 0.00 0.00 54.13 52.85 2h6r s LEU 198 Cb -0.14 1.11 0.00 0.00 -2.05 0.00 0.00 46.19 45.11 2h6r s LEU 198 CO -0.03 -1.06 0.00 0.00 -0.55 0.00 0.00 176.35 174.71 2h6r n ALA 199 N -0.40 1.81 0.11 1.48 0.00 -1.26 -0.01 120.51 122.23 2h6r n ALA 199 Ca 0.01 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.65 2h6r n ALA 199 Cb 0.63 0.00 0.76 0.00 0.00 0.00 0.00 19.45 20.84 2h6r n ALA 199 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2h6r h SER 200 N 0.00 0.00 0.79 0.00 4.64 -1.98 -0.07 113.55 116.93 2h6r h SER 200 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2h6r h SER 200 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2h6r h SER 200 CO 0.00 0.00 0.00 1.23 -0.87 0.00 0.00 176.83 177.19 2h6r h GLY 201 N 0.00 0.00 0.00 -0.77 0.00 -1.92 -3.18 103.07 97.20 2h6r h GLY 201 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 2h6r h GLY 201 CO -0.00 0.00 -0.85 -0.62 0.00 0.00 0.00 176.54 175.07 2h6r n VAL 202 N -2.58 0.00 0.16 4.60 0.31 -0.39 -4.49 118.33 115.94 2h6r n VAL 202 Ca 0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.20 2h6r n VAL 202 Cb 0.25 -0.44 -0.08 0.00 -0.91 0.00 0.00 33.84 32.65 2h6r n VAL 202 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2h6r h VAL 203 N 0.00 0.76 -0.00 2.52 2.07 -1.20 -2.98 116.25 117.41 2h6r h VAL 203 Ca 0.00 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.16 2h6r h VAL 203 Cb 0.85 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 2h6r h VAL 203 CO 0.00 0.08 -0.04 0.29 0.02 0.00 0.00 177.57 177.92 2h6r n LYS 204 N -5.17 0.93 -2.03 1.57 5.02 -1.20 -4.83 118.16 112.45 2h6r n LYS 204 Ca -0.10 -0.24 -0.38 0.00 -2.02 0.00 0.00 58.31 55.57 2h6r n LYS 204 Cb 0.22 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 33.75 2h6r n LYS 204 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2h6r s ALA 205 N -2.23 2.89 0.00 7.82 0.00 -1.13 -4.99 121.76 124.11 2h6r s ALA 205 Ca 0.37 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.45 2h6r s ALA 205 Cb 0.21 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.86 2h6r s ALA 205 CO 0.41 -1.00 0.30 1.17 0.00 0.00 0.00 175.76 176.64 2h6r n LYS 206 N -0.77 0.00 -2.70 0.00 4.81 -1.26 -4.40 118.16 113.84 2h6r n LYS 206 Ca 0.09 0.23 -0.42 0.00 -0.87 0.00 0.00 58.31 57.34 2h6r n LYS 206 Cb 0.47 -0.93 -0.03 0.00 0.02 0.00 0.00 35.03 34.55 2h6r n LYS 206 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 2h6r s ASN 207 N -1.95 6.47 0.54 3.14 2.47 -1.26 -4.86 114.94 119.49 2h6r s ASN 207 Ca 0.00 -1.48 0.25 0.00 0.42 0.00 0.00 52.86 52.06 2h6r s ASN 207 Cb 0.00 -2.50 1.43 0.00 -1.45 0.00 0.00 41.25 38.73 2h6r s ASN 207 CO 0.00 -1.40 2.01 0.58 -3.72 0.00 0.00 177.10 174.57 2h6r h VAL 208 N 6.33 0.68 -0.10 -5.21 2.07 -1.88 -2.62 116.25 115.53 2h6r h VAL 208 Ca 0.09 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.41 2h6r h VAL 208 Cb 1.02 0.76 0.01 0.00 -1.52 0.00 0.00 31.29 31.56 2h6r h VAL 208 CO 1.29 0.00 -0.72 -0.08 0.02 0.00 0.00 177.57 178.08 2h6r h GLU 209 N 0.00 0.66 0.00 1.57 4.81 -1.93 -3.09 114.58 116.60 2h6r h GLU 209 Ca 0.21 -0.58 -0.06 0.00 -0.13 0.00 0.00 59.36 58.80 2h6r h GLU 209 Cb 0.89 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 2h6r h GLU 209 CO -0.00 1.19 -0.30 1.05 -0.73 0.00 0.00 179.01 180.22 2h6r h GLU 210 N 0.33 0.00 -0.38 1.92 4.11 -1.90 -2.61 114.58 116.05 2h6r h GLU 210 Ca -0.06 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.22 2h6r h GLU 210 Cb 1.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 2h6r h GLU 210 CO 0.15 0.30 -0.33 0.00 0.07 0.00 0.00 179.01 179.20 2h6r h ALA 211 N 1.70 0.55 0.05 1.06 0.00 -1.50 -0.72 119.26 120.39 2h6r h ALA 211 Ca -0.00 -0.43 -0.24 0.00 0.00 0.00 0.00 54.91 54.24 2h6r h ALA 211 Cb 0.92 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2h6r h ALA 211 CO 0.04 0.61 -1.04 0.82 0.00 0.00 0.00 179.25 179.69 2h6r h ILE 212 N 0.71 1.46 -0.10 0.00 2.04 -1.51 -2.42 117.51 117.69 2h6r h ILE 212 Ca 0.07 -2.71 -0.17 0.00 1.00 0.00 0.00 64.86 63.05 2h6r h ILE 212 Cb 0.91 2.62 -0.01 0.00 -0.74 0.00 0.00 36.82 39.61 2h6r h ILE 212 CO 0.08 0.80 -0.65 0.03 0.00 0.00 0.00 178.15 178.41 2h6r h ARG 213 N 0.15 0.37 -0.49 2.37 3.08 -1.47 0.20 114.38 118.59 2h6r h ARG 213 Ca -0.09 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 59.63 2h6r h ARG 213 Cb 1.70 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.78 2h6r h ARG 213 CO 0.17 0.90 0.09 1.49 -1.07 0.00 0.00 179.97 181.55 2h6r h GLU 214 N 0.27 0.76 0.00 0.04 4.57 -1.16 -3.41 114.58 115.65 2h6r h GLU 214 Ca -0.01 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 2h6r h GLU 214 Cb 1.19 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 2h6r h GLU 214 CO 0.11 0.71 0.00 1.28 -1.18 0.00 0.00 179.01 179.92 2h6r n LEU 215 N -4.27 0.00 -1.73 1.64 4.77 -0.69 -3.40 117.00 113.31 2h6r n LEU 215 Ca 0.03 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.82 2h6r n LEU 215 Cb 0.23 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 2h6r n LEU 215 CO 0.40 0.00 -0.21 -0.38 -1.33 0.00 0.00 177.39 175.87 2h6r n ILE 216 N 0.00 -0.32 -0.90 -0.08 5.41 -0.03 -4.78 119.36 118.66 2h6r n ILE 216 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2h6r n ILE 216 Cb 0.00 -2.20 0.00 0.00 -0.71 0.00 0.00 39.64 36.73 2h6r n ILE 216 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84