#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 -0.13 -0.05 1.12 1.01 -1.22 -4.52 120.40 116.61 2h6r s VAL 2 Ca 0.00 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.13 2h6r s VAL 2 Cb 0.00 -0.57 0.01 0.00 0.00 0.00 0.00 36.38 35.82 2h6r s VAL 2 CO 0.00 0.05 -0.12 -0.63 0.00 0.00 0.00 175.10 174.40 2h6r s ILE 3 N 1.59 1.12 -0.13 2.22 -1.09 -1.24 0.31 121.20 123.98 2h6r s ILE 3 Ca -0.08 -0.50 0.00 0.00 -2.23 0.00 0.00 60.65 57.85 2h6r s ILE 3 Cb -0.09 -1.01 0.02 0.00 -1.58 0.00 0.00 42.46 39.80 2h6r s ILE 3 CO -0.12 0.34 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.11 2h6r s VAL 4 N 0.46 1.46 -0.41 2.92 1.01 0.56 -0.26 120.40 126.14 2h6r s VAL 4 Ca -0.10 -0.57 -0.15 0.00 0.00 0.00 0.00 61.98 61.15 2h6r s VAL 4 Cb -0.14 -1.37 0.02 0.00 0.00 0.00 0.00 36.38 34.89 2h6r s VAL 4 CO 0.03 0.44 0.31 -0.63 0.00 0.00 0.00 175.10 175.24 2h6r s ILE 5 N 1.42 5.25 -0.07 2.22 1.01 -0.17 -1.74 121.20 129.11 2h6r s ILE 5 Ca 0.02 -0.61 -0.27 0.00 0.00 0.00 0.00 60.65 59.79 2h6r s ILE 5 Cb -0.13 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 2h6r s ILE 5 CO -0.08 -0.30 0.87 0.21 0.00 0.00 0.00 174.94 175.64 2h6r s ASN 6 N 1.69 7.15 0.11 3.58 2.47 0.74 -0.22 114.94 130.46 2h6r s ASN 6 Ca 0.06 1.40 0.17 0.00 0.42 0.00 0.00 52.86 54.91 2h6r s ASN 6 Cb -0.19 -2.50 -0.09 0.00 -1.45 0.00 0.00 41.25 37.02 2h6r s ASN 6 CO 0.10 -0.28 0.94 1.88 -3.72 0.00 0.00 177.10 176.03 2h6r h TYR 7 N 6.95 0.00 0.00 0.43 -1.99 -1.53 -3.39 116.97 117.43 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 0.53 0.00 1.63 -0.00 0.00 0.00 178.16 181.00 2h6r n LYS 8 N -2.93 0.00 -0.90 4.88 5.02 -1.26 -2.88 118.16 120.09 2h6r n LYS 8 Ca -0.07 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.25 2h6r n LYS 8 Cb 0.80 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.85 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 -1.72 -0.18 -2.24 -1.26 -4.64 114.28 104.58 2h6r n THR 9 Ca 0.00 -0.89 -0.35 0.00 -2.27 0.00 0.00 64.05 60.54 2h6r n THR 9 Cb 0.00 0.59 0.06 0.00 -2.10 0.00 0.00 70.33 68.88 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 -0.51 2.30 -0.00 4.78 1.51 -1.14 -4.91 117.35 119.37 2h6r s TYR 10 Ca 0.20 1.56 0.28 0.00 -1.01 0.00 0.00 57.07 58.10 2h6r s TYR 10 Cb 0.22 -3.41 0.99 0.00 -0.11 0.00 0.00 41.96 39.65 2h6r s TYR 10 CO -0.08 -2.26 1.85 -0.91 -1.11 0.00 0.00 175.55 173.04 2h6r h ASN 11 N 0.21 0.00 0.54 2.29 -0.26 -1.99 -2.79 115.58 113.59 2h6r h ASN 11 Ca -0.48 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.26 2h6r h ASN 11 Cb 1.29 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.55 2h6r h ASN 11 CO 0.53 0.09 -0.07 -0.62 -1.06 0.00 0.00 177.43 176.30 2h6r n GLU 12 N -3.19 0.45 -0.40 0.81 4.71 -1.26 -3.67 120.64 118.10 2h6r n GLU 12 Ca 0.01 -0.08 0.07 0.00 -0.01 0.00 0.00 57.16 57.15 2h6r n GLU 12 Cb 0.40 -1.50 0.18 0.00 -1.01 0.00 0.00 31.44 29.52 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 -1.20 2.01 -4.69 1.62 3.41 -1.05 -4.09 113.62 109.62 2h6r n SER 13 Ca 0.13 -3.57 -0.36 0.00 -0.26 0.00 0.00 58.87 54.81 2h6r n SER 13 Cb 0.27 -0.49 -0.09 0.00 -0.26 0.00 0.00 64.21 63.64 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 -3.09 5.37 0.00 -1.33 1.01 -1.24 -4.12 121.20 117.80 2h6r s ILE 14 Ca 0.36 0.22 0.00 0.00 0.00 0.00 0.00 60.65 61.22 2h6r s ILE 14 Cb 0.34 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 39.31 2h6r s ILE 14 CO -0.03 0.39 0.00 0.61 0.00 0.00 0.00 174.94 175.91 2h6r n GLY 15 N 3.91 3.43 0.33 6.18 0.00 -1.26 -1.49 105.19 116.29 2h6r n GLY 15 Ca -0.15 -0.03 0.20 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.24 1.61 4.21 -1.98 0.68 115.58 119.86 2h6r h ASN 16 Ca 0.00 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.39 2h6r h ASN 16 Cb 0.00 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.19 2h6r h ASN 16 CO 0.00 0.00 -0.26 0.03 -1.29 0.00 0.00 177.43 175.91 2h6r h ARG 17 N 0.00 0.73 0.00 0.81 -0.00 -1.56 -2.17 114.38 112.19 2h6r h ARG 17 Ca 0.01 -0.31 0.00 0.00 -0.50 0.00 0.00 59.98 59.18 2h6r h ARG 17 Cb 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.03 2h6r h ARG 17 CO -0.00 0.91 -0.46 0.78 0.00 0.00 0.00 179.97 181.20 2h6r h GLY 18 N 0.97 0.00 1.51 0.04 0.00 -0.99 -3.27 103.07 101.34 2h6r h GLY 18 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.22 2h6r h GLY 18 CO 0.06 0.00 -0.77 -2.00 0.00 0.00 0.00 176.54 173.83 2h6r h LEU 19 N 0.00 0.57 -0.99 3.11 6.46 -0.92 -2.79 115.31 120.75 2h6r h LEU 19 Ca 0.00 -0.38 -0.11 0.00 -0.12 0.00 0.00 57.88 57.27 2h6r h LEU 19 Cb 0.89 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.64 2h6r h LEU 19 CO 0.00 1.14 -0.48 -0.33 -0.62 0.00 0.00 178.44 178.15 2h6r h GLU 20 N 0.32 0.06 0.00 1.25 4.39 -1.46 -2.52 114.58 116.61 2h6r h GLU 20 Ca -0.04 -0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.51 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 0.53 -0.55 0.82 -1.16 0.00 0.00 179.01 178.78 2h6r h ILE 21 N 0.05 1.21 -0.01 3.13 2.04 -1.59 -2.54 117.51 119.80 2h6r h ILE 21 Ca -0.00 -2.02 -0.01 0.00 1.00 0.00 0.00 64.86 63.84 2h6r h ILE 21 Cb 0.87 2.15 -0.00 0.00 -0.74 0.00 0.00 36.82 39.09 2h6r h ILE 21 CO 0.07 0.54 -0.01 0.00 0.00 0.00 0.00 178.15 178.74 2h6r h ALA 22 N 1.45 0.01 0.00 1.87 0.00 -1.19 -2.19 119.26 119.22 2h6r h ALA 22 Ca -0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2h6r h ALA 22 Cb 1.10 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2h6r h ALA 22 CO 0.07 -0.20 -0.10 1.57 0.00 0.00 0.00 179.25 180.59 2h6r h LYS 23 N -0.51 0.00 -0.07 0.00 2.10 -1.51 0.19 116.57 116.77 2h6r h LYS 23 Ca 0.00 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.41 2h6r h LYS 23 Cb 0.56 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.90 2h6r h LYS 23 CO 0.00 0.10 -0.89 0.82 -2.00 0.00 0.00 179.45 177.48 2h6r h ILE 24 N 0.00 1.30 0.00 0.07 1.08 -1.44 -0.81 117.51 117.71 2h6r h ILE 24 Ca -0.00 -2.15 -0.11 0.00 -0.39 0.00 0.00 64.86 62.21 2h6r h ILE 24 Cb 0.59 2.20 -0.02 0.00 -3.07 0.00 0.00 36.82 36.52 2h6r h ILE 24 CO 0.01 0.67 -0.50 0.00 -0.69 0.00 0.00 178.15 177.64 2h6r h ALA 25 N 0.57 0.92 -0.18 1.87 0.00 -0.84 -2.86 119.26 118.73 2h6r h ALA 25 Ca -0.08 -0.46 -0.19 0.00 0.00 0.00 0.00 54.91 54.19 2h6r h ALA 25 Cb 1.53 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 2h6r h ALA 25 CO 0.17 0.63 -0.64 1.49 0.00 0.00 0.00 179.25 180.90 2h6r h GLU 26 N 0.00 0.66 -0.18 0.00 4.81 -0.46 -2.46 114.58 116.95 2h6r h GLU 26 Ca -0.01 -0.47 -0.02 0.00 -0.13 0.00 0.00 59.36 58.74 2h6r h GLU 26 Cb 1.06 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 2h6r h GLU 26 CO 0.07 1.09 0.04 -0.22 -0.73 0.00 0.00 179.01 179.26 2h6r h LYS 27 N 0.48 0.29 0.00 1.92 1.63 -0.96 -2.67 116.57 117.27 2h6r h LYS 27 Ca -0.01 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 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 0.13 0.43 0.00 1.33 -3.45 0.00 0.00 179.45 177.89 2h6r n VAL 28 N -4.78 0.60 0.06 2.00 0.24 -1.10 -2.50 118.33 112.84 2h6r n VAL 28 Ca -0.04 -0.03 -0.09 0.00 -2.04 0.00 0.00 64.34 62.14 2h6r n VAL 28 Cb 0.17 -0.78 0.04 0.00 -1.47 0.00 0.00 33.84 31.79 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 0.44 -0.40 -1.34 0.87 -1.10 -2.81 113.55 109.21 2h6r h SER 29 Ca 0.00 -0.29 -0.10 0.00 -1.23 0.00 0.00 61.79 60.17 2h6r h SER 29 Cb 0.53 -0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 62.31 2h6r h SER 29 CO 0.00 1.02 0.05 -1.84 -0.53 0.00 0.00 176.83 175.53 2h6r n GLU 30 N -3.83 2.88 0.00 2.24 -0.00 -1.10 -2.29 120.64 118.54 2h6r n GLU 30 Ca -0.04 -2.99 0.00 0.00 -0.00 0.00 0.00 57.16 54.13 2h6r n GLU 30 Cb 0.71 -1.93 0.00 0.00 -0.00 0.00 0.00 31.44 30.21 2h6r n GLU 30 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2h6r n GLU 31 N -0.57 3.69 0.00 3.44 2.13 -1.04 -4.72 120.64 123.57 2h6r n GLU 31 Ca 0.29 -0.08 0.00 0.00 0.66 0.00 0.00 57.16 58.03 2h6r n GLU 31 Cb 1.05 -0.47 0.00 0.00 0.27 0.00 0.00 31.44 32.29 2h6r n GLU 31 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2h6r n SER 32 N -0.55 2.19 0.00 4.31 2.88 -1.06 -5.04 113.62 116.34 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 0.02 0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 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 1.27 0.68 3.36 0.46 0.00 -0.97 -5.07 105.19 104.92 2h6r n GLY 33 Ca 0.00 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.00 3.04 -0.04 -0.61 1.09 -1.02 -5.01 121.20 116.65 2h6r s ILE 34 Ca 0.00 -0.66 -0.30 0.00 -1.10 0.00 0.00 60.65 58.59 2h6r s ILE 34 Cb 0.00 -2.28 -0.04 0.00 -1.06 0.00 0.00 42.46 39.07 2h6r s ILE 34 CO 0.00 0.52 1.32 0.28 -0.10 0.00 0.00 174.94 176.96 2h6r s THR 35 N 0.44 3.97 -0.11 2.92 -1.32 -1.26 -4.31 115.64 115.97 2h6r s THR 35 Ca -0.10 1.31 0.03 0.00 -1.21 0.00 0.00 61.69 61.72 2h6r s THR 35 Cb -0.16 -3.84 0.00 0.00 -1.51 0.00 0.00 72.50 67.00 2h6r s THR 35 CO 0.05 -0.02 -0.23 -0.63 -2.21 0.00 0.00 174.62 171.58 2h6r s ILE 36 N 2.53 1.99 0.33 5.08 -1.09 -1.26 -3.60 121.20 125.18 2h6r s ILE 36 Ca 0.60 -0.97 0.08 0.00 -2.23 0.00 0.00 60.65 58.14 2h6r s ILE 36 Cb -0.28 -1.74 -0.04 0.00 -1.58 0.00 0.00 42.46 38.82 2h6r s ILE 36 CO 0.24 0.54 0.13 -0.83 -1.23 0.00 0.00 174.94 173.79 2h6r s GLY 37 N 0.49 1.92 0.09 6.18 0.00 0.64 -4.13 107.32 112.51 2h6r s GLY 37 Ca -0.15 -1.81 0.04 0.00 0.00 0.00 0.00 44.72 42.79 2h6r s GLY 37 CO 0.06 -1.75 -0.10 -1.34 0.00 0.00 0.00 173.10 169.96 2h6r s VAL 38 N -2.41 0.93 -0.63 1.40 -7.23 -0.11 -1.00 120.40 111.35 2h6r s VAL 38 Ca 0.37 -1.56 0.05 0.00 -1.81 0.00 0.00 61.98 59.03 2h6r s VAL 38 Cb -0.03 -1.27 0.18 0.00 0.56 0.00 0.00 36.38 35.82 2h6r s VAL 38 CO 0.22 -0.51 0.49 0.00 -0.31 0.00 0.00 175.10 175.00 2h6r n ALA 39 N 0.70 3.34 -1.43 1.32 0.00 0.69 -0.48 120.51 124.65 2h6r n ALA 39 Ca -0.17 -4.22 -0.29 0.00 0.00 0.00 0.00 53.44 48.76 2h6r n ALA 39 Cb 0.57 -0.95 0.17 0.00 0.00 0.00 0.00 19.45 19.24 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 -1.25 0.50 0.61 0.00 0.02 -1.22 -1.35 135.00 132.31 2h6r s PRO 40 Ca 0.29 0.19 -0.15 0.00 0.02 0.00 0.00 61.00 61.34 2h6r s PRO 40 Cb 0.00 -1.77 -0.03 0.00 0.02 0.00 0.00 34.50 32.72 2h6r s PRO 40 CO -0.16 -2.61 1.06 -0.65 -0.33 0.00 0.00 177.00 174.31 2h6r s GLN 41 N -5.31 3.28 0.36 5.54 -0.21 -1.26 -4.08 119.66 117.97 2h6r s GLN 41 Ca 0.66 1.16 0.13 0.00 0.02 0.00 0.00 55.36 57.34 2h6r s GLN 41 Cb -0.13 -2.03 0.96 0.00 1.00 0.00 0.00 33.01 32.81 2h6r s GLN 41 CO 0.55 -0.84 1.77 0.74 -2.12 0.00 0.00 175.29 175.39 2h6r h PHE 42 N 0.28 0.83 0.00 0.91 -1.00 -1.96 0.12 116.94 116.11 2h6r h PHE 42 Ca -0.46 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.34 2h6r h PHE 42 Cb 1.22 -0.24 0.00 0.00 3.61 0.00 0.00 35.95 40.53 2h6r h PHE 42 CO 0.59 0.12 0.00 -0.39 -1.61 0.00 0.00 178.31 177.02 2h6r h VAL 43 N 0.53 0.00 0.00 -0.55 -1.51 -2.03 -3.24 116.25 109.45 2h6r h VAL 43 Ca 0.59 -0.76 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 2h6r h VAL 43 Cb 1.26 1.74 0.00 0.00 -2.13 0.00 0.00 31.29 32.16 2h6r h VAL 43 CO -0.34 0.00 -1.06 0.47 -1.23 0.00 0.00 177.57 175.41 2h6r n ASP 44 N -2.89 0.92 -0.09 4.19 10.43 -0.07 -4.72 116.55 124.32 2h6r n ASP 44 Ca 0.03 -0.92 -0.04 0.00 2.57 0.00 0.00 54.79 56.43 2h6r n ASP 44 Cb 0.45 1.07 -0.03 0.00 1.84 0.00 0.00 41.12 44.44 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 0.00 -0.69 -0.07 0.64 3.38 -1.31 -1.80 115.31 115.45 2h6r h LEU 45 Ca 0.00 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2h6r h LEU 45 Cb 0.53 0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2h6r h LEU 45 CO 0.00 -0.11 0.00 -2.11 0.09 0.00 0.00 178.44 176.31 2h6r n ARG 46 N -3.69 0.02 0.08 1.13 1.85 -1.26 -2.40 116.66 112.39 2h6r n ARG 46 Ca -0.00 0.26 -0.07 0.00 -1.00 0.00 0.00 57.85 57.03 2h6r n ARG 46 Cb 0.11 -1.54 0.04 0.00 -1.05 0.00 0.00 32.46 30.02 2h6r n ARG 46 CO 0.00 0.00 0.00 1.98 -0.01 0.00 0.00 177.63 179.60 2h6r h MET 47 N 0.00 0.22 0.18 2.89 4.05 -1.62 -3.05 114.93 117.60 2h6r h MET 47 Ca 0.00 -0.20 -0.33 0.00 -0.28 0.00 0.00 59.70 58.88 2h6r h MET 47 Cb 0.27 0.05 0.01 0.00 -0.80 0.00 0.00 31.60 31.13 2h6r h MET 47 CO 0.00 0.88 -1.62 0.82 0.23 0.00 0.00 176.91 177.23 2h6r h ILE 48 N 0.14 1.09 -0.92 1.77 2.04 -1.26 -3.26 117.51 117.11 2h6r h ILE 48 Ca -0.03 -2.65 0.00 0.00 1.00 0.00 0.00 64.86 63.18 2h6r h ILE 48 Cb 1.34 2.82 -0.04 0.00 -0.74 0.00 0.00 36.82 40.20 2h6r h ILE 48 CO 0.12 0.84 0.58 0.58 0.00 0.00 0.00 178.15 180.26 2h6r h VAL 49 N 0.10 1.25 0.00 1.67 2.07 -1.58 0.56 116.25 120.33 2h6r h VAL 49 Ca -0.29 -0.51 -0.12 0.00 0.82 0.00 0.00 66.70 66.60 2h6r h VAL 49 Cb 2.09 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 2h6r h VAL 49 CO 0.19 0.25 -0.58 -0.33 0.02 0.00 0.00 177.57 177.13 2h6r h GLU 50 N 1.26 0.00 0.00 1.57 5.08 -1.68 -3.37 114.58 117.44 2h6r h GLU 50 Ca 0.33 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.37 2h6r h GLU 50 Cb -0.09 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.10 2h6r h GLU 50 CO -0.07 0.58 -2.20 0.09 -1.00 0.00 0.00 179.01 176.41 2h6r n ASN 51 N -3.42 1.67 -4.67 1.42 3.02 -1.09 -5.00 115.26 107.19 2h6r n ASN 51 Ca 0.00 -0.07 -0.33 0.00 -0.03 0.00 0.00 54.58 54.16 2h6r n ASN 51 Cb 0.69 0.20 -0.09 0.00 -0.61 0.00 0.00 39.78 39.97 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 4.10 -1.02 2.41 1.01 0.20 -5.05 120.40 119.62 2h6r s VAL 52 Ca -0.20 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 2h6r s VAL 52 Cb 0.06 -2.80 0.31 0.00 0.00 0.00 0.00 36.38 33.95 2h6r s VAL 52 CO 0.58 0.42 1.45 -3.20 0.00 0.00 0.00 175.10 174.36 2h6r n ASN 53 N 1.54 6.28 -3.92 3.32 5.15 -1.26 -4.45 115.26 121.92 2h6r n ASN 53 Ca -0.15 -3.46 -0.09 0.00 -0.60 0.00 0.00 54.58 50.28 2h6r n ASN 53 Cb 0.53 -1.19 -0.08 0.00 -0.53 0.00 0.00 39.78 38.51 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 -3.02 0.15 -0.06 -1.44 -5.25 -1.26 -5.02 121.20 105.31 2h6r s ILE 54 Ca 0.33 -1.26 -0.31 0.00 -0.99 0.00 0.00 60.65 58.42 2h6r s ILE 54 Cb 0.08 -1.23 -0.09 0.00 2.95 0.00 0.00 42.46 44.17 2h6r s ILE 54 CO 0.06 -0.70 2.02 -2.65 -1.79 0.00 0.00 174.94 171.88 2h6r n PRO 55 N 0.24 2.46 -4.09 0.37 -0.02 -1.26 -4.90 135.00 127.80 2h6r n PRO 55 Ca -0.16 0.86 -0.35 0.00 -2.02 0.00 0.00 63.50 61.83 2h6r n PRO 55 Cb 0.61 -2.95 -0.12 0.00 -0.02 0.00 0.00 33.50 31.01 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 5.29 4.05 0.12 -1.45 1.01 -1.26 -0.93 120.40 127.23 2h6r s VAL 56 Ca 0.93 -0.28 0.10 0.00 0.00 0.00 0.00 61.98 62.73 2h6r s VAL 56 Cb -0.49 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 2h6r s VAL 56 CO 0.43 0.43 -0.25 -0.31 0.00 0.00 0.00 175.10 175.41 2h6r s TYR 57 N 0.89 2.36 0.45 5.22 1.51 0.36 -0.91 117.35 127.23 2h6r s TYR 57 Ca 0.01 -0.36 -0.15 0.00 -1.01 0.00 0.00 57.07 55.57 2h6r s TYR 57 Cb -0.14 -1.28 -0.08 0.00 -0.11 0.00 0.00 41.96 40.35 2h6r s TYR 57 CO 0.02 0.33 0.88 0.00 -1.11 0.00 0.00 175.55 175.67 2h6r s ALA 58 N -1.05 3.19 -0.88 3.71 0.00 -0.85 -3.40 121.76 122.48 2h6r s ALA 58 Ca 0.15 0.05 0.26 0.00 0.00 0.00 0.00 51.96 52.41 2h6r s ALA 58 Cb -0.10 -2.93 0.76 0.00 0.00 0.00 0.00 23.12 20.84 2h6r s ALA 58 CO 0.06 -0.06 1.62 1.04 0.00 0.00 0.00 175.76 178.42 2h6r n GLN 59 N -1.27 0.10 -3.62 0.00 6.02 -1.26 0.93 117.38 118.29 2h6r n GLN 59 Ca 0.05 0.05 -0.04 0.00 -0.01 0.00 0.00 57.00 57.05 2h6r n GLN 59 Cb 0.54 -1.59 -0.04 0.00 1.02 0.00 0.00 30.24 30.17 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 -0.13 -0.14 1.08 5.04 -1.17 -4.52 115.29 112.40 2h6r s HIS 60 Ca 0.11 0.20 -0.04 0.00 -1.54 0.00 0.00 55.06 53.79 2h6r s HIS 60 Cb 0.16 0.49 0.07 0.00 0.04 0.00 0.00 32.58 33.34 2h6r s HIS 60 CO 0.63 -0.14 0.19 0.42 -2.34 0.00 0.00 174.74 173.51 2h6r s ILE 61 N -1.33 -0.30 0.45 0.89 1.01 -1.26 -4.92 121.20 115.73 2h6r s ILE 61 Ca 0.07 0.16 -0.23 0.00 0.00 0.00 0.00 60.65 60.65 2h6r s ILE 61 Cb -0.01 -0.46 -0.08 0.00 0.01 0.00 0.00 42.46 41.92 2h6r s ILE 61 CO -0.05 0.01 1.13 -1.81 0.00 0.00 0.00 174.94 174.22 2h6r s ASP 62 N 2.32 6.31 -1.20 3.58 -0.00 -0.97 -4.94 116.67 121.77 2h6r s ASP 62 Ca 0.04 2.23 -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 -0.82 1.59 0.21 -0.00 0.00 0.00 175.17 176.07 2h6r s ASN 63 N -1.43 6.78 0.03 0.27 2.47 -1.26 -4.65 114.94 117.15 2h6r s ASN 63 Ca 0.62 -2.26 -0.05 0.00 0.42 0.00 0.00 52.86 51.60 2h6r s ASN 63 Cb -0.27 -2.54 -0.01 0.00 -1.45 0.00 0.00 41.25 36.98 2h6r s ASN 63 CO 0.32 -1.19 0.07 0.27 -3.72 0.00 0.00 177.10 172.86 2h6r s ILE 64 N 3.96 0.13 -0.04 -5.21 -4.36 -1.26 -5.08 121.20 109.34 2h6r s ILE 64 Ca 0.49 -1.10 -0.03 0.00 -0.26 0.00 0.00 60.65 59.76 2h6r s ILE 64 Cb 0.02 -0.83 -0.04 0.00 1.25 0.00 0.00 42.46 42.86 2h6r s ILE 64 CO 0.02 -0.61 0.11 0.20 0.24 0.00 0.00 174.94 174.90 2h6r s ASN 65 N -2.05 5.98 -0.42 4.36 0.01 -1.26 -4.70 114.94 116.86 2h6r s ASN 65 Ca -0.06 0.28 -0.40 0.00 -0.71 0.00 0.00 52.86 51.97 2h6r s ASN 65 Cb -0.02 -1.81 -0.15 0.00 0.41 0.00 0.00 41.25 39.67 2h6r s ASN 65 CO -0.04 0.31 2.13 -2.65 -1.51 0.00 0.00 177.10 175.34 2h6r n PRO 66 N 1.42 0.56 0.00 -0.60 -0.02 -1.26 -4.65 135.00 130.44 2h6r n PRO 66 Ca -0.15 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 2h6r n PRO 66 Cb 0.53 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 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 6.79 0.65 3.33 -1.23 0.00 -1.26 -5.08 105.19 108.39 2h6r n GLY 67 Ca 0.46 0.35 -0.47 0.00 0.00 0.00 0.00 46.02 46.36 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 6.81 -0.39 1.61 0.01 -1.26 -4.92 113.70 117.57 2h6r s SER 68 Ca 0.00 -2.76 0.03 0.00 1.31 0.00 0.00 55.95 54.52 2h6r s SER 68 Cb 0.00 -2.21 0.16 0.00 0.21 0.00 0.00 66.02 64.17 2h6r s SER 68 CO 0.00 -0.56 0.33 -1.00 0.41 0.00 0.00 173.24 172.43 2h6r s HIS 69 N 0.08 0.35 0.10 2.43 4.02 -1.26 -5.13 115.29 115.89 2h6r s HIS 69 Ca 0.19 -1.51 -0.31 0.00 1.02 0.00 0.00 55.06 54.46 2h6r s HIS 69 Cb -0.10 -0.67 -0.07 0.00 -1.02 0.00 0.00 32.58 30.72 2h6r s HIS 69 CO -0.09 -0.90 1.25 0.99 1.02 0.00 0.00 174.74 177.01 2h6r s THR 70 N 0.88 3.75 -0.25 1.30 2.01 -1.26 -3.19 115.64 118.87 2h6r s THR 70 Ca 0.23 1.29 0.00 0.00 0.31 0.00 0.00 61.69 63.52 2h6r s THR 70 Cb -0.12 -3.83 0.00 0.00 0.01 0.00 0.00 72.50 68.57 2h6r s THR 70 CO -0.06 0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.60 2h6r n GLY 71 N 3.10 0.56 3.62 4.40 0.00 -1.26 -5.05 105.19 110.56 2h6r n GLY 71 Ca 0.09 -0.97 -0.26 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.09 2.71 -0.38 1.61 4.02 -1.19 -5.10 115.29 114.87 2h6r s HIS 72 Ca 0.00 -0.20 -0.19 0.00 1.02 0.00 0.00 55.06 55.70 2h6r s HIS 72 Cb 0.00 -1.28 0.01 0.00 -1.02 0.00 0.00 32.58 30.28 2h6r s HIS 72 CO 0.00 0.55 0.53 0.42 1.02 0.00 0.00 174.74 177.26 2h6r s ILE 73 N -1.90 4.99 -0.02 0.60 1.09 -1.26 -5.02 121.20 119.68 2h6r s ILE 73 Ca 0.28 0.18 -0.20 0.00 -1.10 0.00 0.00 60.65 59.81 2h6r s ILE 73 Cb -0.08 -4.03 -0.05 0.00 -1.06 0.00 0.00 42.46 37.24 2h6r s ILE 73 CO 0.17 -0.33 0.58 -0.22 -0.10 0.00 0.00 174.94 175.05 2h6r s LEU 74 N 2.44 4.39 0.17 2.97 1.98 -1.26 -2.28 118.68 127.10 2h6r s LEU 74 Ca 0.18 1.11 -0.14 0.00 -2.89 0.00 0.00 54.13 52.39 2h6r s LEU 74 Cb -0.15 -2.89 0.11 0.00 0.66 0.00 0.00 46.19 43.91 2h6r s LEU 74 CO 0.15 0.08 1.77 0.00 -1.89 0.00 0.00 176.35 176.46 2h6r h ALA 75 N 5.81 0.55 0.00 5.97 0.00 -1.84 -1.72 119.26 128.03 2h6r h ALA 75 Ca -0.45 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2h6r h ALA 75 Cb 1.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2h6r h ALA 75 CO 0.70 -0.17 0.00 0.93 0.00 0.00 0.00 179.25 180.71 2h6r h GLU 76 N 0.40 0.00 0.01 0.00 3.07 -1.95 -2.22 114.58 113.89 2h6r h GLU 76 Ca 0.20 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.86 2h6r h GLU 76 Cb 0.14 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 2h6r h GLU 76 CO -0.17 0.00 -0.92 0.00 -1.40 0.00 0.00 179.01 176.53 2h6r h ALA 77 N 2.01 0.48 -0.23 3.43 0.00 -1.73 -2.45 119.26 120.77 2h6r h ALA 77 Ca 0.00 -0.77 -0.09 0.00 0.00 0.00 0.00 54.91 54.04 2h6r h ALA 77 Cb 0.37 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2h6r h ALA 77 CO 0.00 1.00 -0.22 0.82 0.00 0.00 0.00 179.25 180.85 2h6r h ILE 78 N 0.06 1.32 0.00 0.00 1.08 -1.07 -2.99 117.51 115.90 2h6r h ILE 78 Ca -0.04 -1.39 -0.05 0.00 -0.39 0.00 0.00 64.86 62.99 2h6r h ILE 78 Cb 1.58 1.70 -0.01 0.00 -3.07 0.00 0.00 36.82 37.02 2h6r h ILE 78 CO 0.13 0.43 -0.26 0.50 -0.69 0.00 0.00 178.15 178.26 2h6r h LYS 79 N 0.26 0.00 -0.07 2.37 1.63 -1.54 -2.48 116.57 116.73 2h6r h LYS 79 Ca 0.04 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.78 2h6r h LYS 79 Cb 0.78 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.40 2h6r h LYS 79 CO 0.06 0.26 -0.24 0.22 -3.45 0.00 0.00 179.45 176.30 2h6r h ASP 80 N 0.00 0.12 0.80 4.20 3.58 -1.29 -2.57 116.42 121.26 2h6r h ASP 80 Ca -0.00 -0.03 -0.12 0.00 0.42 0.00 0.00 57.03 57.30 2h6r h ASP 80 Cb 0.60 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.60 2h6r h ASP 80 CO 0.03 0.36 -0.56 0.00 -2.88 0.00 0.00 179.24 176.19 2h6r n GLY 82 N 0.42 1.22 3.79 0.00 0.00 -0.97 -4.74 105.19 104.91 2h6r n GLY 82 Ca -0.00 0.00 -0.35 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 1.75 0.32 0.00 0.00 6.56 -1.40 -3.45 116.57 120.36 2h6r h LYS 84 Ca -0.49 -0.49 0.00 0.00 -1.06 0.00 0.00 60.65 58.61 2h6r h LYS 84 Cb 1.23 0.17 0.00 0.00 -0.57 0.00 0.00 32.23 33.06 2h6r h LYS 84 CO 0.59 1.20 0.00 0.41 -2.06 0.00 0.00 179.45 179.60 2h6r n GLY 85 N 1.39 3.28 3.47 3.86 0.00 -1.21 -0.05 105.19 115.94 2h6r n GLY 85 Ca -0.09 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.52 0.00 -0.14 2.61 -1.32 -0.52 -2.00 115.64 113.75 2h6r s THR 86 Ca 0.00 0.00 -0.05 0.00 -1.21 0.00 0.00 61.69 60.43 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 0.05 -0.76 -2.21 0.00 0.00 174.62 171.70 2h6r s LEU 87 N -2.45 3.81 0.05 9.08 1.02 0.27 -1.55 118.68 128.91 2h6r s LEU 87 Ca 0.02 0.16 0.00 0.00 0.02 0.00 0.00 54.13 54.34 2h6r s LEU 87 Cb -0.01 -1.92 -0.03 0.00 0.02 0.00 0.00 46.19 44.24 2h6r s LEU 87 CO -0.09 0.28 -0.04 0.27 0.02 0.00 0.00 176.35 176.79 2h6r s ILE 88 N -0.30 0.32 -1.38 -0.59 -4.36 -0.98 -3.06 121.20 110.85 2h6r s ILE 88 Ca 0.08 -1.49 -0.08 0.00 -0.26 0.00 0.00 60.65 58.90 2h6r s ILE 88 Cb -0.12 -1.08 0.03 0.00 1.25 0.00 0.00 42.46 42.54 2h6r s ILE 88 CO 0.02 -0.76 1.05 -3.20 0.24 0.00 0.00 174.94 172.29 2h6r n ASN 89 N 0.68 -4.70 -4.80 4.36 4.05 -1.22 -0.13 115.26 113.49 2h6r n ASN 89 Ca -0.18 -0.65 -0.34 0.00 0.45 0.00 0.00 54.58 53.86 2h6r n ASN 89 Cb 0.58 -4.61 -0.04 0.00 1.23 0.00 0.00 39.78 36.94 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 3.05 0.52 1.20 2.46 -0.84 -4.06 115.29 114.25 2h6r s HIS 90 Ca 0.46 1.58 0.24 0.00 0.47 0.00 0.00 55.06 57.81 2h6r s HIS 90 Cb -0.21 -3.03 1.30 0.00 -0.13 0.00 0.00 32.58 30.51 2h6r s HIS 90 CO 0.77 -0.71 1.71 0.66 -2.47 0.00 0.00 174.74 174.70 2h6r h SER 91 N 1.62 0.00 0.14 9.88 4.64 -1.93 0.57 113.55 128.47 2h6r h SER 91 Ca -0.49 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.77 2h6r h SER 91 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 2h6r h SER 91 CO 0.59 0.00 -1.92 -0.62 -0.87 0.00 0.00 176.83 174.01 2h6r n GLU 92 N -2.67 0.66 -3.41 4.77 1.02 -1.26 -4.66 120.64 115.09 2h6r n GLU 92 Ca -0.02 -0.12 -0.26 0.00 -0.02 0.00 0.00 57.16 56.74 2h6r n GLU 92 Cb 0.41 -1.57 -0.09 0.00 -0.02 0.00 0.00 31.44 30.17 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 -2.40 0.70 -3.02 3.49 3.00 0.20 -5.11 118.16 115.02 2h6r n LYS 93 Ca -0.08 -3.46 -0.40 0.00 -0.00 0.00 0.00 58.31 54.37 2h6r n LYS 93 Cb 0.66 -1.67 -0.05 0.00 0.00 0.00 0.00 35.03 33.97 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 4.46 0.39 1.64 0.52 -0.90 -1.99 118.95 122.41 2h6r s ARG 94 Ca 0.33 0.98 0.08 0.00 -0.52 0.00 0.00 55.73 56.59 2h6r s ARG 94 Cb 0.07 -3.39 -0.03 0.00 0.52 0.00 0.00 34.95 32.12 2h6r s ARG 94 CO -0.16 0.22 0.30 -1.64 0.02 0.00 0.00 175.30 174.04 2h6r s MET 95 N 0.21 2.51 0.82 3.54 -1.94 -1.26 -4.99 119.30 118.19 2h6r s MET 95 Ca 0.38 -1.52 -0.11 0.00 -1.71 0.00 0.00 55.69 52.73 2h6r s MET 95 Cb -0.19 -2.32 0.08 0.00 2.01 0.00 0.00 34.83 34.41 2h6r s MET 95 CO 0.21 -0.07 1.09 -0.51 -0.01 0.00 0.00 175.02 175.73 2h6r s LEU 96 N -4.03 2.80 0.08 -0.03 1.43 -1.26 -4.87 118.68 112.81 2h6r s LEU 96 Ca 0.44 1.76 -0.21 0.00 -1.03 0.00 0.00 54.13 55.09 2h6r s LEU 96 Cb -0.03 -4.35 -0.11 0.00 0.03 0.00 0.00 46.19 41.73 2h6r s LEU 96 CO 0.26 -2.28 1.62 0.25 0.23 0.00 0.00 176.35 176.43 2h6r h LEU 97 N -1.30 0.21 -1.57 1.79 6.46 -2.01 -2.47 115.31 116.43 2h6r h LEU 97 Ca -0.45 -0.16 -0.02 0.00 -0.12 0.00 0.00 57.88 57.13 2h6r h LEU 97 Cb 1.25 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 41.12 2h6r h LEU 97 CO 0.52 0.31 -0.09 0.00 -0.62 0.00 0.00 178.44 178.56 2h6r h ALA 98 N 0.91 1.06 -0.03 1.25 0.00 -2.00 -3.02 119.26 117.41 2h6r h ALA 98 Ca 0.05 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 2h6r h ALA 98 Cb 0.17 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.95 2h6r h ALA 98 CO -0.00 0.11 -0.41 -0.44 0.00 0.00 0.00 179.25 178.50 2h6r h ASP 99 N 0.00 0.42 0.69 0.00 5.19 -1.83 -3.05 116.42 117.84 2h6r h ASP 99 Ca -0.00 -0.72 -0.11 0.00 -0.62 0.00 0.00 57.03 55.59 2h6r h ASP 99 Cb 0.51 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.88 2h6r h ASP 99 CO 0.01 1.08 -0.50 0.16 -3.12 0.00 0.00 179.24 176.87 2h6r h ILE 100 N -0.20 1.21 -0.18 0.35 3.07 -1.43 -1.78 117.51 118.53 2h6r h ILE 100 Ca -0.04 -1.81 -0.14 0.00 1.55 0.00 0.00 64.86 64.42 2h6r h ILE 100 Cb 1.11 2.02 -0.01 0.00 -0.27 0.00 0.00 36.82 39.67 2h6r h ILE 100 CO 0.08 0.49 -0.47 -0.08 -1.05 0.00 0.00 178.15 177.12 2h6r h GLU 101 N 0.00 0.47 0.00 0.16 4.22 -1.61 -1.31 114.58 116.52 2h6r h GLU 101 Ca -0.01 -0.27 -0.19 0.00 0.08 0.00 0.00 59.36 58.98 2h6r h GLU 101 Cb 0.98 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 2h6r h GLU 101 CO 0.07 0.85 -0.89 0.00 -2.18 0.00 0.00 179.01 176.85 2h6r h ALA 102 N 1.11 0.53 -0.28 2.92 0.00 -1.41 -2.77 119.26 119.36 2h6r h ALA 102 Ca 0.02 -0.80 -0.11 0.00 0.00 0.00 0.00 54.91 54.02 2h6r h ALA 102 Cb 0.98 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2h6r h ALA 102 CO 0.09 1.09 -0.26 0.28 0.00 0.00 0.00 179.25 180.45 2h6r h VAL 103 N 0.01 1.30 -0.71 0.00 2.07 -1.12 -0.61 116.25 117.19 2h6r h VAL 103 Ca -0.01 -1.42 -0.04 0.00 0.82 0.00 0.00 66.70 66.05 2h6r h VAL 103 Cb 1.57 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 32.90 2h6r h VAL 103 CO 0.12 0.45 0.29 0.40 0.02 0.00 0.00 177.57 178.85 2h6r h ILE 104 N 0.41 1.24 -0.47 4.57 5.03 -1.27 -0.01 117.51 127.01 2h6r h ILE 104 Ca 0.05 -0.75 -0.06 0.00 -0.12 0.00 0.00 64.86 63.98 2h6r h ILE 104 Cb 0.82 0.39 -0.02 0.00 -3.03 0.00 0.00 36.82 34.98 2h6r h ILE 104 CO 0.07 0.31 0.06 0.78 -0.68 0.00 0.00 178.15 178.68 2h6r h ASN 105 N 1.03 0.75 -0.57 1.72 -0.26 -1.31 -0.77 115.58 116.17 2h6r h ASN 105 Ca 0.24 -0.27 -0.08 0.00 -0.56 0.00 0.00 56.30 55.63 2h6r h ASN 105 Cb 0.19 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.23 2h6r h ASN 105 CO -0.02 0.83 0.04 0.11 -1.06 0.00 0.00 177.43 177.33 2h6r h LYS 106 N 0.65 0.98 0.00 0.81 1.57 -0.70 -1.58 116.57 118.29 2h6r h LYS 106 Ca 0.14 -0.29 -0.07 0.00 -1.87 0.00 0.00 60.65 58.56 2h6r h LYS 106 Cb 0.41 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2h6r h LYS 106 CO 0.01 0.96 -0.34 0.00 -0.57 0.00 0.00 179.45 179.51 2h6r h LYS 108 N 0.00 0.85 0.00 0.00 3.64 -0.64 0.58 116.57 121.00 2h6r h LYS 108 Ca -0.00 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2h6r h LYS 108 Cb 0.62 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 2h6r h LYS 108 CO 0.04 1.06 0.00 0.09 -2.27 0.00 0.00 179.45 178.37 2h6r n ASN 109 N -4.18 0.00 -0.22 4.20 5.03 -0.64 -3.33 115.26 116.12 2h6r n ASN 109 Ca -0.02 0.34 0.05 0.00 0.87 0.00 0.00 54.58 55.82 2h6r n ASN 109 Cb 0.48 -0.44 -0.01 0.00 -1.02 0.00 0.00 39.78 38.79 2h6r n ASN 109 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2h6r n LEU 110 N -1.44 1.18 -0.90 3.41 4.77 -0.83 -5.00 117.00 118.18 2h6r n LEU 110 Ca 0.09 -0.74 -0.03 0.00 -0.03 0.00 0.00 56.01 55.31 2h6r n LEU 110 Cb 0.31 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.41 2h6r n LEU 110 CO 0.26 0.24 0.03 0.61 -1.33 0.00 0.00 177.39 177.19 2h6r n GLY 111 N 0.96 0.73 3.52 -0.72 0.00 -0.60 -5.05 105.19 104.03 2h6r n GLY 111 Ca 0.04 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.81 2.84 0.34 0.99 1.43 0.19 -4.92 118.68 117.74 2h6r s LEU 112 Ca 0.06 -0.33 -0.20 0.00 -1.03 0.00 0.00 54.13 52.63 2h6r s LEU 112 Cb -0.03 -1.65 -0.10 0.00 0.03 0.00 0.00 46.19 44.44 2h6r s LEU 112 CO 0.08 0.26 0.84 -0.70 0.23 0.00 0.00 176.35 177.06 2h6r s GLU 113 N -1.52 4.24 -0.20 1.70 2.12 0.93 -4.35 118.70 121.62 2h6r s GLU 113 Ca 0.16 0.98 0.01 0.00 0.36 0.00 0.00 54.97 56.49 2h6r s GLU 113 Cb -0.11 -2.51 0.03 0.00 0.26 0.00 0.00 34.13 31.81 2h6r s GLU 113 CO 0.07 0.17 -0.17 0.95 -0.54 0.00 0.00 175.26 175.73 2h6r s THR 114 N -1.89 2.05 -0.73 -1.70 -4.23 -1.26 -1.43 115.64 106.45 2h6r s THR 114 Ca 0.54 -1.10 0.01 0.00 -1.18 0.00 0.00 61.69 59.96 2h6r s THR 114 Cb -0.13 -1.94 0.18 0.00 1.34 0.00 0.00 72.50 71.95 2h6r s THR 114 CO 0.18 0.38 0.55 -0.63 -0.54 0.00 0.00 174.62 174.56 2h6r s ILE 115 N 1.25 3.47 -0.22 2.99 1.01 -0.60 -0.60 121.20 128.50 2h6r s ILE 115 Ca 0.01 -3.83 -0.26 0.00 0.00 0.00 0.00 60.65 56.57 2h6r s ILE 115 Cb -0.15 -3.24 -0.00 0.00 0.01 0.00 0.00 42.46 39.08 2h6r s ILE 115 CO -0.11 -0.99 0.90 0.54 0.00 0.00 0.00 174.94 175.29 2h6r s VAL 116 N -1.07 4.79 0.42 2.92 0.11 -0.80 -2.31 120.40 124.47 2h6r s VAL 116 Ca 0.23 1.74 -0.22 0.00 -2.93 0.00 0.00 61.98 60.81 2h6r s VAL 116 Cb -0.11 -4.19 -0.10 0.00 -1.53 0.00 0.00 36.38 30.45 2h6r s VAL 116 CO -0.11 -0.09 0.98 0.00 -3.33 0.00 0.00 175.10 172.54 2h6r s THR 118 N -1.99 0.28 -0.07 0.00 -1.32 0.53 -4.59 115.64 108.47 2h6r s THR 118 Ca 0.60 -1.86 0.04 0.00 -1.21 0.00 0.00 61.69 59.27 2h6r s THR 118 Cb -0.13 -1.68 -0.07 0.00 -1.51 0.00 0.00 72.50 69.11 2h6r s THR 118 CO 0.18 -0.85 -0.01 -0.46 -2.21 0.00 0.00 174.62 171.27 2h6r n ASN 119 N 0.03 3.37 -4.72 8.08 0.23 -1.26 -1.31 115.26 119.68 2h6r n ASN 119 Ca -0.12 -0.02 -0.26 0.00 -0.53 0.00 0.00 54.58 53.66 2h6r n ASN 119 Cb 0.62 0.38 -0.08 0.00 -2.08 0.00 0.00 39.78 38.61 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 -4.16 4.29 0.20 0.53 0.02 -1.26 -4.45 114.94 110.11 2h6r s ASN 120 Ca -0.06 -1.16 0.14 0.00 -1.02 0.00 0.00 52.86 50.75 2h6r s ASN 120 Cb 0.02 -0.42 -0.04 0.00 0.02 0.00 0.00 41.25 40.84 2h6r s ASN 120 CO 0.24 -0.54 1.27 0.16 0.02 0.00 0.00 177.10 178.25 2h6r h ILE 121 N 1.49 0.95 -0.06 0.60 -2.65 -1.97 -2.23 117.51 113.64 2h6r h ILE 121 Ca -0.43 -2.42 -0.16 0.00 1.03 0.00 0.00 64.86 62.88 2h6r h ILE 121 Cb 1.25 2.43 -0.01 0.00 -2.05 0.00 0.00 36.82 38.44 2h6r h ILE 121 CO 0.72 0.54 -0.66 0.78 0.03 0.00 0.00 178.15 179.57 2h6r h ASN 122 N 0.00 0.29 1.44 2.16 2.35 -1.99 -2.26 115.58 117.57 2h6r h ASN 122 Ca -0.04 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 2h6r h ASN 122 Cb 1.52 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.80 2h6r h ASN 122 CO 0.07 0.87 -0.15 0.71 -1.65 0.00 0.00 177.43 177.28 2h6r h THR 123 N 0.18 0.00 -0.00 2.81 1.35 -1.96 -2.89 112.91 112.40 2h6r h THR 123 Ca -0.01 -0.59 -0.01 0.00 -0.55 0.00 0.00 66.41 65.24 2h6r h THR 123 Cb 1.19 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 2h6r h THR 123 CO 0.10 0.00 -0.05 0.28 -0.25 0.00 0.00 175.52 175.60 2h6r h SER 124 N 0.00 0.05 0.48 5.36 0.02 -0.90 -2.91 113.55 115.66 2h6r h SER 124 Ca 0.00 -0.72 0.00 0.00 -0.84 0.00 0.00 61.79 60.23 2h6r h SER 124 Cb 0.79 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.32 2h6r h SER 124 CO 0.00 0.77 0.00 2.29 -1.14 0.00 0.00 176.83 178.75 2h6r n LYS 125 N -4.70 0.35 0.00 3.45 2.85 -0.90 -2.09 118.16 117.13 2h6r n LYS 125 Ca -0.09 0.05 -0.18 0.00 -1.05 0.00 0.00 58.31 57.04 2h6r n LYS 125 Cb 0.38 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 33.12 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 3.19 -0.05 0.00 0.58 0.00 -1.45 -3.30 119.26 118.23 2h6r h ALA 126 Ca 0.00 -0.64 -0.08 0.00 0.00 0.00 0.00 54.91 54.19 2h6r h ALA 126 Cb 0.24 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2h6r h ALA 126 CO 0.00 0.25 -0.39 0.28 0.00 0.00 0.00 179.25 179.39 2h6r h VAL 127 N -0.61 0.75 -0.02 0.00 2.07 -1.44 -3.02 116.25 113.97 2h6r h VAL 127 Ca -0.10 -1.79 0.01 0.00 0.82 0.00 0.00 66.70 65.65 2h6r h VAL 127 Cb 1.40 2.17 -0.00 0.00 -1.52 0.00 0.00 31.29 33.34 2h6r h VAL 127 CO 0.09 0.38 0.05 0.00 0.02 0.00 0.00 177.57 178.11 2h6r h ALA 128 N 1.61 1.34 0.00 1.67 0.00 -1.50 0.19 119.26 122.57 2h6r h ALA 128 Ca -0.00 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 2h6r h ALA 128 Cb 1.14 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2h6r h ALA 128 CO 0.05 -0.06 -0.71 0.00 0.00 0.00 0.00 179.25 178.53 2h6r h ALA 129 N 1.93 0.60 0.00 0.00 0.00 -1.61 -3.02 119.26 117.16 2h6r h ALA 129 Ca 0.01 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2h6r h ALA 129 Cb 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2h6r h ALA 129 CO -0.00 0.89 0.00 1.28 0.00 0.00 0.00 179.25 181.42 2h6r n LEU 130 N -3.37 0.49 -3.09 0.00 4.32 0.64 -4.96 117.00 111.04 2h6r n LEU 130 Ca 0.01 0.58 -0.06 0.00 -0.02 0.00 0.00 56.01 56.51 2h6r n LEU 130 Cb 0.78 -0.46 0.03 0.00 -1.62 0.00 0.00 43.42 42.15 2h6r n LEU 130 CO 0.43 -0.28 0.20 -1.20 -1.22 0.00 0.00 177.39 175.32 2h6r n SER 131 N -2.00 -7.12 -2.83 -1.43 7.64 -1.12 -5.00 113.62 101.76 2h6r n SER 131 Ca 0.04 -0.34 -0.09 0.00 1.01 0.00 0.00 58.87 59.50 2h6r n SER 131 Cb 0.31 -5.12 0.05 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 -2.37 0.13 -0.08 1.43 -0.04 -1.26 -5.05 135.00 127.76 2h6r n PRO 132 Ca -0.03 -0.89 -0.15 0.00 -0.04 0.00 0.00 63.50 62.40 2h6r n PRO 132 Cb 0.55 -0.30 -0.10 0.00 -0.04 0.00 0.00 33.50 33.61 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 -0.32 0.00 -5.15 3.54 3.32 -1.91 -3.42 116.42 112.48 2h6r h ASP 133 Ca -0.13 -0.56 -0.14 0.00 0.02 0.00 0.00 57.03 56.23 2h6r h ASP 133 Cb 0.42 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.82 2h6r h ASP 133 CO 0.12 1.13 -0.68 0.00 -1.72 0.00 0.00 179.24 178.08 2h6r s ILE 135 N -3.75 -0.09 -0.23 0.00 2.07 -0.21 -1.90 121.20 117.09 2h6r s ILE 135 Ca 0.06 0.33 -0.09 0.00 -1.41 0.00 0.00 60.65 59.54 2h6r s ILE 135 Cb 0.07 -0.13 -0.04 0.00 0.13 0.00 0.00 42.46 42.48 2h6r s ILE 135 CO -0.09 0.14 0.12 0.00 -1.91 0.00 0.00 174.94 173.20 2h6r s ALA 136 N 1.70 3.46 -0.24 1.50 0.00 -0.48 0.12 121.76 127.83 2h6r s ALA 136 Ca -0.01 -0.91 -0.14 0.00 0.00 0.00 0.00 51.96 50.90 2h6r s ALA 136 Cb -0.12 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.78 2h6r s ALA 136 CO -0.03 -0.17 0.31 0.08 0.00 0.00 0.00 175.76 175.95 2h6r s VAL 137 N 1.01 5.25 -0.20 0.00 1.01 -0.40 0.20 120.40 127.27 2h6r s VAL 137 Ca 0.06 0.47 0.20 0.00 0.00 0.00 0.00 61.98 62.71 2h6r s VAL 137 Cb -0.14 -3.64 0.48 0.00 0.00 0.00 0.00 36.38 33.08 2h6r s VAL 137 CO 0.04 0.25 1.15 -0.62 0.00 0.00 0.00 175.10 175.91 2h6r n GLU 138 N 4.75 1.67 -3.45 2.72 1.02 -0.43 -2.23 120.64 124.70 2h6r n GLU 138 Ca -0.11 -3.27 -0.42 0.00 -0.02 0.00 0.00 57.16 53.34 2h6r n GLU 138 Cb 0.51 -1.37 -0.10 0.00 -0.02 0.00 0.00 31.44 30.47 2h6r n GLU 138 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2h6r s PRO 139 N -2.87 3.24 -0.85 3.49 0.04 -1.26 -4.73 135.00 132.06 2h6r s PRO 139 Ca 0.34 -0.76 -0.25 0.00 0.04 0.00 0.00 61.00 60.36 2h6r s PRO 139 Cb 0.36 -3.90 -0.04 0.00 0.04 0.00 0.00 34.50 30.95 2h6r s PRO 139 CO -0.06 -0.64 1.93 -1.25 0.04 0.00 0.00 177.00 177.02 2h6r s PRO 140 N 1.83 2.57 0.00 0.56 0.04 -1.26 -4.90 135.00 133.83 2h6r s PRO 140 Ca 0.08 -0.14 0.00 0.00 0.04 0.00 0.00 61.00 60.97 2h6r s PRO 140 Cb -0.18 -4.95 0.00 0.00 0.04 0.00 0.00 34.50 29.41 2h6r s PRO 140 CO 0.11 -3.27 0.00 -1.91 0.04 0.00 0.00 177.00 171.97 2h6r n GLU 158 N 8.91 0.00 0.25 4.56 2.13 -1.26 -4.99 120.64 130.24 2h6r n GLU 158 Ca 0.37 0.00 0.15 0.00 0.66 0.00 0.00 57.16 58.34 2h6r n GLU 158 Cb 0.48 0.00 0.51 0.00 0.27 0.00 0.00 31.44 32.70 2h6r n GLU 158 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2h6r h GLY 159 N 0.00 0.00 1.62 8.31 0.00 -2.00 -2.71 103.07 108.29 2h6r h GLY 159 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 2h6r h GLY 159 CO 0.00 0.00 -1.15 -0.84 0.00 0.00 0.00 176.54 174.55 2h6r h THR 160 N 0.00 1.48 -0.21 4.70 2.02 -1.97 -2.78 112.91 116.14 2h6r h THR 160 Ca -0.00 -2.89 -0.09 0.00 0.77 0.00 0.00 66.41 64.19 2h6r h THR 160 Cb 0.69 2.80 -0.00 0.00 -1.74 0.00 0.00 68.15 69.89 2h6r h THR 160 CO 0.00 0.85 -0.23 0.58 0.37 0.00 0.00 175.52 177.09 2h6r h VAL 161 N 0.11 1.33 0.00 3.16 2.07 -1.85 -2.72 116.25 118.35 2h6r h VAL 161 Ca -0.12 -1.41 -0.08 0.00 0.82 0.00 0.00 66.70 65.91 2h6r h VAL 161 Cb 1.85 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 33.36 2h6r h VAL 161 CO 0.19 0.43 -0.40 0.08 0.02 0.00 0.00 177.57 177.90 2h6r h ARG 162 N 0.21 0.00 -0.10 1.57 0.11 -1.58 -2.45 114.38 112.14 2h6r h ARG 162 Ca 0.03 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.92 2h6r h ARG 162 Cb 0.79 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.87 2h6r h ARG 162 CO 0.06 0.40 -0.72 0.00 0.10 0.00 0.00 179.97 179.80 2h6r h ALA 163 N 1.60 0.56 0.05 0.08 0.00 -1.45 -3.05 119.26 117.04 2h6r h ALA 163 Ca -0.00 -0.59 -0.24 0.00 0.00 0.00 0.00 54.91 54.07 2h6r h ALA 163 Cb 0.86 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2h6r h ALA 163 CO 0.05 0.74 -1.04 0.28 0.00 0.00 0.00 179.25 179.28 2h6r h VAL 164 N 0.34 1.45 -0.04 0.00 2.07 -1.38 -3.31 116.25 115.39 2h6r h VAL 164 Ca -0.03 -2.71 -0.11 0.00 0.82 0.00 0.00 66.70 64.68 2h6r h VAL 164 Cb 1.30 2.62 -0.01 0.00 -1.52 0.00 0.00 31.29 33.67 2h6r h VAL 164 CO 0.13 0.80 -0.48 0.50 0.02 0.00 0.00 177.57 178.53 2h6r h LYS 165 N 0.15 0.09 0.15 1.57 1.63 -1.49 -1.69 116.57 116.98 2h6r h LYS 165 Ca -0.09 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.66 2h6r h LYS 165 Cb 1.71 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.33 2h6r h LYS 165 CO 0.17 0.55 -0.11 0.93 -3.45 0.00 0.00 179.45 177.54 2h6r h GLU 166 N 0.07 -0.26 0.00 1.90 4.39 -1.62 -2.74 114.58 116.33 2h6r h GLU 166 Ca 0.00 0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.65 2h6r h GLU 166 Cb 0.88 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.58 2h6r h GLU 166 CO 0.07 -0.17 -0.35 0.97 -1.16 0.00 0.00 179.01 178.37 2h6r h ILE 167 N -0.27 0.71 -1.20 3.13 6.09 -1.68 -3.44 117.51 120.85 2h6r h ILE 167 Ca -0.00 -1.60 0.14 0.00 -1.37 0.00 0.00 64.86 62.03 2h6r h ILE 167 Cb 0.24 2.05 -0.22 0.00 0.47 0.00 0.00 36.82 39.36 2h6r h ILE 167 CO -0.01 0.34 0.05 0.21 -3.07 0.00 0.00 178.15 175.67 2h6r s ASN 168 N -6.34 -0.83 0.27 2.19 2.47 -0.64 -4.88 114.94 107.18 2h6r s ASN 168 Ca 0.02 0.97 0.15 0.00 0.42 0.00 0.00 52.86 54.41 2h6r s ASN 168 Cb 0.09 1.88 0.14 0.00 -1.45 0.00 0.00 41.25 41.91 2h6r s ASN 168 CO 0.69 -0.16 1.47 0.50 -3.72 0.00 0.00 177.10 175.88 2h6r h LYS 169 N 7.77 0.00 0.00 0.43 3.64 -1.75 -3.29 116.57 123.37 2h6r h LYS 169 Ca -0.17 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.14 2h6r h LYS 169 Cb 1.12 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 2h6r h LYS 169 CO 0.09 0.55 -0.34 -0.44 -2.27 0.00 0.00 179.45 177.04 2h6r h ASP 170 N 0.00 0.00 -2.91 4.20 3.32 -1.93 -3.45 116.42 115.65 2h6r h ASP 170 Ca -0.01 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 2h6r h ASP 170 Cb 1.35 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.91 2h6r h ASP 170 CO 0.07 0.34 0.82 -0.69 -1.72 0.00 0.00 179.24 178.06 2h6r s VAL 171 N -3.50 3.56 0.05 -1.35 1.01 -1.25 -4.97 120.40 113.95 2h6r s VAL 171 Ca 0.01 1.00 -0.21 0.00 0.00 0.00 0.00 61.98 62.79 2h6r s VAL 171 Cb 0.10 -3.65 -0.06 0.00 0.00 0.00 0.00 36.38 32.77 2h6r s VAL 171 CO 0.68 0.02 0.62 -0.54 0.00 0.00 0.00 175.10 175.87 2h6r s LYS 172 N 2.14 4.31 -0.20 2.72 1.02 -1.05 -4.86 119.74 123.83 2h6r s LYS 172 Ca 0.65 0.81 -0.10 0.00 0.02 0.00 0.00 55.97 57.35 2h6r s LYS 172 Cb -0.33 -3.30 -0.05 0.00 -0.52 0.00 0.00 37.83 33.63 2h6r s LYS 172 CO 0.28 0.49 0.13 0.08 -0.92 0.00 0.00 175.35 175.40 2h6r s VAL 173 N -0.63 5.39 0.05 3.17 1.01 -1.26 -1.05 120.40 127.08 2h6r s VAL 173 Ca 0.31 0.18 0.09 0.00 0.00 0.00 0.00 61.98 62.56 2h6r s VAL 173 Cb -0.19 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 2h6r s VAL 173 CO 0.19 0.45 -0.23 -0.76 0.00 0.00 0.00 175.10 174.75 2h6r s LEU 174 N 0.30 2.35 -0.03 3.92 1.43 0.12 -1.37 118.68 125.40 2h6r s LEU 174 Ca 0.08 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.65 2h6r s LEU 174 Cb -0.11 -1.37 -0.03 0.00 0.03 0.00 0.00 46.19 44.70 2h6r s LEU 174 CO -0.02 0.25 0.00 0.00 0.23 0.00 0.00 176.35 176.82 2h6r n GLY 176 N 1.62 1.10 3.17 0.00 0.00 -0.94 -1.00 105.19 109.12 2h6r n GLY 176 Ca -0.16 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.32 2.67 -1.02 4.61 0.00 -1.26 -4.78 121.76 121.67 2h6r s ALA 177 Ca 0.11 -1.55 -0.08 0.00 0.00 0.00 0.00 51.96 50.44 2h6r s ALA 177 Cb 0.21 -1.68 -0.05 0.00 0.00 0.00 0.00 23.12 21.60 2h6r s ALA 177 CO -0.07 -0.93 0.86 0.41 0.00 0.00 0.00 175.76 176.03 2h6r n GLY 178 N 4.62 -1.15 3.14 0.00 0.00 -1.26 -4.89 105.19 105.63 2h6r n GLY 178 Ca -0.16 0.55 -0.31 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.34 1.87 0.00 -0.61 -1.09 -1.26 -4.97 121.20 111.80 2h6r s ILE 179 Ca 0.39 -0.87 0.00 0.00 -2.23 0.00 0.00 60.65 57.94 2h6r s ILE 179 Cb -0.07 -1.67 0.00 0.00 -1.58 0.00 0.00 42.46 39.14 2h6r s ILE 179 CO 0.77 0.51 0.00 -0.24 -1.23 0.00 0.00 174.94 174.75 2h6r n SER 180 N 4.07 1.97 -4.25 3.58 2.88 -1.26 -4.80 113.62 115.81 2h6r n SER 180 Ca -0.20 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.19 2h6r n SER 180 Cb 0.52 0.35 -0.10 0.00 -0.75 0.00 0.00 64.21 64.22 2h6r n SER 180 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2h6r s LYS 181 N -0.93 1.06 0.42 -1.46 0.00 -1.26 -4.69 119.74 112.88 2h6r s LYS 181 Ca 0.00 -1.39 0.26 0.00 0.00 0.00 0.00 55.97 54.84 2h6r s LYS 181 Cb 0.00 -0.74 1.40 0.00 0.00 0.00 0.00 37.83 38.49 2h6r s LYS 181 CO 0.00 0.11 1.77 0.78 0.00 0.00 0.00 175.35 178.01 2h6r h GLY 182 N 3.00 0.00 0.92 0.59 0.00 0.39 -1.32 103.07 106.65 2h6r h GLY 182 Ca -0.38 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.84 2h6r h GLY 182 CO 0.59 0.00 -0.29 0.83 0.00 0.00 0.00 176.54 177.67 2h6r h GLU 183 N 0.00 0.62 0.00 4.80 5.08 -1.83 -1.13 114.58 122.12 2h6r h GLU 183 Ca 0.00 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2h6r h GLU 183 Cb 0.15 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2h6r h GLU 183 CO 0.00 0.95 0.00 -0.25 -1.00 0.00 0.00 179.01 178.71 2h6r n ASP 184 N -4.31 0.66 -0.00 1.42 8.00 -0.51 -2.21 116.55 119.60 2h6r n ASP 184 Ca -0.05 0.65 -0.20 0.00 0.71 0.00 0.00 54.79 55.90 2h6r n ASP 184 Cb 0.47 -0.80 -0.14 0.00 -0.02 0.00 0.00 41.12 40.64 2h6r n ASP 184 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2h6r h VAL 185 N 0.00 1.26 0.00 2.53 2.07 -1.30 -3.24 116.25 117.57 2h6r h VAL 185 Ca 0.00 -2.41 -0.10 0.00 0.82 0.00 0.00 66.70 65.02 2h6r h VAL 185 Cb 0.40 2.89 -0.01 0.00 -1.52 0.00 0.00 31.29 33.05 2h6r h VAL 185 CO 0.00 0.65 -0.47 0.11 0.02 0.00 0.00 177.57 177.88 2h6r h LYS 186 N -0.50 0.00 0.00 1.57 1.57 -1.12 -2.73 116.57 115.36 2h6r h LYS 186 Ca -0.22 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.51 2h6r h LYS 186 Cb 1.57 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.87 2h6r h LYS 186 CO 0.05 0.47 -0.25 0.00 -0.57 0.00 0.00 179.45 179.14 2h6r h ALA 187 N 1.53 0.94 0.10 3.86 0.00 -1.59 -2.69 119.26 121.42 2h6r h ALA 187 Ca -0.00 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.51 2h6r h ALA 187 Cb 1.00 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.77 2h6r h ALA 187 CO 0.06 0.32 -0.73 0.00 0.00 0.00 0.00 179.25 178.90 2h6r h ALA 188 N 1.75 -0.05 0.00 0.00 0.00 -1.51 -3.32 119.26 116.13 2h6r h ALA 188 Ca -0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2h6r h ALA 188 Cb 0.89 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2h6r h ALA 188 CO 0.03 0.35 0.00 1.47 0.00 0.00 0.00 179.25 181.11 2h6r n LEU 189 N -4.17 0.69 -0.00 0.00 -0.00 -1.07 -2.49 117.00 109.96 2h6r n LEU 189 Ca -0.13 0.60 0.14 0.00 -0.00 0.00 0.00 56.01 56.62 2h6r n LEU 189 Cb 0.77 -0.42 0.61 0.00 -0.00 0.00 0.00 43.42 44.38 2h6r n LEU 189 CO 0.48 -0.29 0.93 0.47 -0.00 0.00 0.00 177.39 178.97 2h6r n ASP 190 N -2.18 0.05 -0.99 1.45 8.00 -1.01 -3.01 116.55 118.85 2h6r n ASP 190 Ca 0.04 0.33 0.11 0.00 0.71 0.00 0.00 54.79 55.98 2h6r n ASP 190 Cb 0.35 -0.40 0.16 0.00 -0.02 0.00 0.00 41.12 41.21 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 -1.46 3.14 0.00 0.64 4.77 -1.04 -4.94 117.00 118.12 2h6r n LEU 191 Ca 0.08 -1.36 0.00 0.00 -0.03 0.00 0.00 56.01 54.70 2h6r n LEU 191 Cb 0.32 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2h6r n LEU 191 CO 0.27 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 2h6r n GLY 192 N 1.29 1.27 3.77 -0.72 0.00 -1.16 -4.59 105.19 105.05 2h6r n GLY 192 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 2.99 -0.14 4.61 0.00 -1.18 -4.75 121.76 121.29 2h6r s ALA 193 Ca 0.00 0.88 0.07 0.00 0.00 0.00 0.00 51.96 52.92 2h6r s ALA 193 Cb 0.00 -3.36 0.14 0.00 0.00 0.00 0.00 23.12 19.90 2h6r s ALA 193 CO 0.00 -0.57 1.09 0.39 0.00 0.00 0.00 175.76 176.67 2h6r n GLU 194 N -0.44 2.48 -3.61 0.00 -0.58 -0.47 -4.41 120.64 113.62 2h6r n GLU 194 Ca 0.07 -1.94 -0.01 0.00 -0.42 0.00 0.00 57.16 54.86 2h6r n GLU 194 Cb 0.48 -1.22 -0.01 0.00 -0.57 0.00 0.00 31.44 30.12 2h6r n GLU 194 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2h6r s GLY 195 N -1.60 -0.34 -0.01 0.62 0.00 -1.24 -3.40 107.32 101.35 2h6r s GLY 195 Ca 0.14 1.28 0.02 0.00 0.00 0.00 0.00 44.72 46.16 2h6r s GLY 195 CO 0.03 0.37 -0.07 0.14 0.00 0.00 0.00 173.10 173.57 2h6r s VAL 196 N -2.31 0.58 -0.11 1.40 1.01 0.15 -1.77 120.40 119.35 2h6r s VAL 196 Ca 0.12 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.83 2h6r s VAL 196 Cb 0.02 -0.50 0.02 0.00 0.00 0.00 0.00 36.38 35.91 2h6r s VAL 196 CO -0.04 0.17 -0.14 -0.22 0.00 0.00 0.00 175.10 174.87 2h6r s LEU 197 N -0.02 1.67 0.25 3.92 0.20 -0.17 -0.33 118.68 124.21 2h6r s LEU 197 Ca 0.01 -0.41 -0.04 0.00 0.69 0.00 0.00 54.13 54.37 2h6r s LEU 197 Cb -0.05 -1.06 -0.02 0.00 -0.43 0.00 0.00 46.19 44.64 2h6r s LEU 197 CO -0.00 -0.00 0.31 -1.48 -0.29 0.00 0.00 176.35 174.89 2h6r s LEU 198 N 1.06 0.91 0.00 -0.68 0.05 -0.71 -4.09 118.68 115.22 2h6r s LEU 198 Ca -0.05 -1.29 0.00 0.00 0.05 0.00 0.00 54.13 52.84 2h6r s LEU 198 Cb -0.15 1.01 0.00 0.00 -2.05 0.00 0.00 46.19 45.01 2h6r s LEU 198 CO -0.02 -1.03 0.00 0.00 -0.55 0.00 0.00 176.35 174.75 2h6r n ALA 199 N -0.38 2.05 0.15 1.48 0.00 -1.26 -0.19 120.51 122.36 2h6r n ALA 199 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.53 2h6r n ALA 199 Cb 0.64 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.46 2h6r n ALA 199 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2h6r n SER 200 N -1.07 0.36 0.26 0.00 3.41 -1.26 -2.38 113.62 112.93 2h6r n SER 200 Ca 0.00 0.66 0.15 0.00 -0.26 0.00 0.00 58.87 59.42 2h6r n SER 200 Cb 0.00 -0.71 0.49 0.00 -0.26 0.00 0.00 64.21 63.73 2h6r n SER 200 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2h6r h GLY 201 N 0.35 0.00 0.00 5.00 0.00 -1.91 -3.28 103.07 103.23 2h6r h GLY 201 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2h6r h GLY 201 CO 0.00 0.00 -0.88 -0.62 0.00 0.00 0.00 176.54 175.04 2h6r n VAL 202 N -3.10 0.00 -0.23 4.60 0.31 -1.03 -4.57 118.33 114.31 2h6r n VAL 202 Ca 0.02 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.31 2h6r n VAL 202 Cb 0.39 -0.94 0.07 0.00 -0.91 0.00 0.00 33.84 32.46 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 1.07 0.27 2.52 2.07 -1.66 -3.25 116.25 117.27 2h6r h VAL 203 Ca 0.00 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2h6r h VAL 203 Cb 0.88 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2h6r h VAL 203 CO 0.00 0.14 -0.13 0.11 0.02 0.00 0.00 177.57 177.71 2h6r h LYS 204 N 0.78 -0.35 -3.75 1.57 1.79 -1.78 -3.47 116.57 111.36 2h6r h LYS 204 Ca 0.27 0.02 -0.35 0.00 -2.18 0.00 0.00 60.65 58.42 2h6r h LYS 204 Cb 0.04 0.08 0.15 0.00 -1.58 0.00 0.00 32.23 30.92 2h6r h LYS 204 CO -0.12 -0.02 -1.14 0.00 -1.08 0.00 0.00 179.45 177.10 2h6r n ALA 205 N -2.60 -4.27 -0.45 3.86 0.00 -1.23 -4.97 120.51 110.85 2h6r n ALA 205 Ca -0.08 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 52.95 2h6r n ALA 205 Cb 0.25 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 18.98 2h6r n ALA 205 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2h6r n LYS 206 N 1.53 0.00 -2.80 0.00 5.02 -1.26 -4.61 118.16 116.03 2h6r n LYS 206 Ca -0.01 0.27 -0.42 0.00 -2.02 0.00 0.00 58.31 56.13 2h6r n LYS 206 Cb 0.35 -1.08 -0.04 0.00 -0.02 0.00 0.00 35.03 34.24 2h6r n LYS 206 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2h6r s ASN 207 N -2.04 6.78 -0.06 4.39 3.84 -1.26 -4.95 114.94 121.64 2h6r s ASN 207 Ca 0.00 0.81 -0.27 0.00 0.21 0.00 0.00 52.86 53.61 2h6r s ASN 207 Cb 0.00 -2.47 -0.22 0.00 -0.55 0.00 0.00 41.25 38.01 2h6r s ASN 207 CO 0.00 -0.75 1.09 0.58 -2.79 0.00 0.00 177.10 175.22 2h6r h VAL 208 N 5.68 1.54 0.00 -5.21 2.07 -1.86 -2.78 116.25 115.69 2h6r h VAL 208 Ca -0.23 -1.60 -0.01 0.00 0.82 0.00 0.00 66.70 65.68 2h6r h VAL 208 Cb 1.08 2.61 -0.00 0.00 -1.52 0.00 0.00 31.29 33.46 2h6r h VAL 208 CO 0.96 0.42 -0.06 1.05 0.02 0.00 0.00 177.57 179.95 2h6r h GLU 209 N -0.65 0.00 -0.01 1.57 4.11 -1.92 -1.91 114.58 115.77 2h6r h GLU 209 Ca -0.00 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.21 2h6r h GLU 209 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2h6r h GLU 209 CO 0.00 0.06 -0.92 0.93 0.07 0.00 0.00 179.01 179.16 2h6r h GLU 210 N 0.00 0.42 -0.43 1.06 5.08 -1.98 -0.71 114.58 118.01 2h6r h GLU 210 Ca -0.00 -0.43 -0.15 0.00 -1.00 0.00 0.00 59.36 57.78 2h6r h GLU 210 Cb 0.66 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 2h6r h GLU 210 CO 0.01 1.09 -0.31 0.00 -1.00 0.00 0.00 179.01 178.81 2h6r h ALA 211 N 0.76 0.63 -0.15 3.43 0.00 -1.17 -1.92 119.26 120.83 2h6r h ALA 211 Ca -0.07 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.32 2h6r h ALA 211 Cb 1.55 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2h6r h ALA 211 CO 0.16 0.68 -0.27 0.82 0.00 0.00 0.00 179.25 180.64 2h6r h ILE 212 N 0.82 1.36 0.00 0.00 2.04 -1.35 -3.11 117.51 117.26 2h6r h ILE 212 Ca 0.09 -1.52 -0.00 0.00 1.00 0.00 0.00 64.86 64.42 2h6r h ILE 212 Cb 0.90 1.98 -0.00 0.00 -0.74 0.00 0.00 36.82 38.95 2h6r h ILE 212 CO 0.08 0.45 -0.01 0.03 0.00 0.00 0.00 178.15 178.70 2h6r h ARG 213 N 0.07 0.00 -0.34 2.37 3.08 -1.05 -2.02 114.38 116.48 2h6r h ARG 213 Ca 0.01 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.89 2h6r h ARG 213 Cb 0.86 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.90 2h6r h ARG 213 CO 0.06 0.01 -0.47 1.49 -1.07 0.00 0.00 179.97 180.00 2h6r h GLU 214 N 0.00 0.91 -0.00 0.04 4.57 -1.28 -2.77 114.58 116.04 2h6r h GLU 214 Ca -0.00 -0.52 -0.03 0.00 -1.18 0.00 0.00 59.36 57.62 2h6r h GLU 214 Cb 0.03 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 2h6r h GLU 214 CO 0.00 1.17 -0.13 -0.07 -1.18 0.00 0.00 179.01 178.80 2h6r h LEU 215 N 0.72 0.12 0.06 1.64 3.38 -1.37 0.72 115.31 120.58 2h6r h LEU 215 Ca 0.04 -0.79 -0.38 0.00 0.09 0.00 0.00 57.88 56.85 2h6r h LEU 215 Cb 1.07 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.74 2h6r h LEU 215 CO 0.11 0.89 -2.22 2.30 0.09 0.00 0.00 178.44 179.60 2h6r n ILE 216 N -4.60 1.63 -0.60 1.22 -6.64 -0.85 -3.72 119.36 105.79 2h6r n ILE 216 Ca -0.10 -0.58 0.00 0.00 -1.77 0.00 0.00 62.75 60.30 2h6r n ILE 216 Cb 0.45 -1.60 0.00 0.00 -1.44 0.00 0.00 39.64 37.05 2h6r n ILE 216 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07