#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 1.31 -0.12 1.12 0.11 -1.19 -3.44 120.40 118.19 2h6r s VAL 2 Ca 0.00 -0.96 0.03 0.00 -2.93 0.00 0.00 61.98 58.12 2h6r s VAL 2 Cb 0.00 -1.15 0.01 0.00 -1.53 0.00 0.00 36.38 33.71 2h6r s VAL 2 CO 0.00 0.17 -0.22 -0.63 -3.33 0.00 0.00 175.10 171.09 2h6r s ILE 3 N -0.69 2.00 -0.19 7.04 -1.09 -0.91 -0.74 121.20 126.62 2h6r s ILE 3 Ca 0.05 -0.96 -0.02 0.00 -2.23 0.00 0.00 60.65 57.49 2h6r s ILE 3 Cb -0.08 -1.76 -0.01 0.00 -1.58 0.00 0.00 42.46 39.04 2h6r s ILE 3 CO 0.01 0.54 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.48 2h6r s VAL 4 N 0.66 3.05 -0.39 2.92 1.01 0.04 0.38 120.40 128.07 2h6r s VAL 4 Ca -0.11 -0.62 -0.13 0.00 0.00 0.00 0.00 61.98 61.12 2h6r s VAL 4 Cb -0.16 -2.34 0.02 0.00 0.00 0.00 0.00 36.38 33.89 2h6r s VAL 4 CO 0.02 0.47 0.26 -0.63 0.00 0.00 0.00 175.10 175.22 2h6r s ILE 5 N 1.12 4.96 -0.07 2.22 1.01 -0.21 -1.86 121.20 128.37 2h6r s ILE 5 Ca 0.01 -0.72 -0.28 0.00 0.00 0.00 0.00 60.65 59.66 2h6r s ILE 5 Cb -0.14 -3.75 -0.02 0.00 0.01 0.00 0.00 42.46 38.55 2h6r s ILE 5 CO -0.03 -0.26 0.90 0.21 0.00 0.00 0.00 174.94 175.76 2h6r s ASN 6 N 1.63 7.19 0.12 3.58 2.47 0.88 -0.41 114.94 130.41 2h6r s ASN 6 Ca 0.04 1.45 0.17 0.00 0.42 0.00 0.00 52.86 54.94 2h6r s ASN 6 Cb -0.19 -2.51 -0.08 0.00 -1.45 0.00 0.00 41.25 37.02 2h6r s ASN 6 CO 0.09 -0.30 0.97 1.88 -3.72 0.00 0.00 177.10 176.02 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 0.69 0.47 0.00 1.63 -0.00 0.00 0.00 178.16 180.95 2h6r n LYS 8 N -2.92 0.00 -1.92 4.88 5.02 -1.26 -3.06 118.16 118.91 2h6r n LYS 8 Ca -0.06 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.25 2h6r n LYS 8 Cb 0.78 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.81 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 0.40 -1.89 -0.18 -2.24 -1.26 -4.66 114.28 104.45 2h6r n THR 9 Ca 0.00 -1.58 -0.32 0.00 -2.27 0.00 0.00 64.05 59.88 2h6r n THR 9 Cb 0.00 1.09 0.02 0.00 -2.10 0.00 0.00 70.33 69.34 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 -1.19 2.98 0.17 4.78 1.51 -1.17 -4.95 117.35 119.49 2h6r s TYR 10 Ca 0.31 1.49 0.23 0.00 -1.01 0.00 0.00 57.07 58.10 2h6r s TYR 10 Cb 0.36 -2.99 0.93 0.00 -0.11 0.00 0.00 41.96 40.15 2h6r s TYR 10 CO -0.13 -1.20 1.83 -0.91 -1.11 0.00 0.00 175.55 174.04 2h6r h ASN 11 N 0.09 0.00 0.09 2.29 -0.26 -1.98 -2.75 115.58 113.06 2h6r h ASN 11 Ca -0.46 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.28 2h6r h ASN 11 Cb 1.22 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.48 2h6r h ASN 11 CO 0.57 0.24 0.00 -0.62 -1.06 0.00 0.00 177.43 176.56 2h6r n GLU 12 N -3.45 0.90 -0.00 0.81 4.71 -1.26 -3.37 120.64 118.98 2h6r n GLU 12 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2h6r n GLU 12 Cb 0.42 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.36 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 -1.05 1.49 -4.72 1.62 3.41 -1.04 -4.06 113.62 109.27 2h6r n SER 13 Ca 0.22 -1.48 -0.40 0.00 -0.26 0.00 0.00 58.87 56.95 2h6r n SER 13 Cb 0.13 -0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.04 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 -0.48 4.89 0.00 -1.33 1.01 -1.22 -3.63 121.20 120.45 2h6r s ILE 14 Ca 0.00 1.70 0.00 0.00 0.00 0.00 0.00 60.65 62.35 2h6r s ILE 14 Cb 0.00 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.32 2h6r s ILE 14 CO 0.00 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.81 2h6r n GLY 15 N 2.82 2.06 0.14 6.18 0.00 -1.26 -2.90 105.19 112.23 2h6r n GLY 15 Ca 0.01 -0.56 0.11 0.00 0.00 0.00 0.00 46.02 45.57 2h6r n GLY 15 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2h6r n ASN 16 N 1.69 0.56 -0.22 1.61 4.13 -1.26 -1.69 115.26 120.08 2h6r n ASN 16 Ca 0.00 0.70 -0.09 0.00 1.68 0.00 0.00 54.58 56.88 2h6r n ASN 16 Cb 0.00 -0.80 0.03 0.00 -1.54 0.00 0.00 39.78 37.47 2h6r n ASN 16 CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 2h6r h ARG 17 N 0.00 1.06 0.00 3.52 3.08 -1.82 -0.53 114.38 119.69 2h6r h ARG 17 Ca 0.00 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.73 2h6r h ARG 17 Cb 0.15 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2h6r h ARG 17 CO 0.00 1.02 0.00 0.78 -1.07 0.00 0.00 179.97 180.70 2h6r h GLY 18 N 0.96 0.00 1.45 0.04 0.00 -1.39 -3.01 103.07 101.13 2h6r h GLY 18 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.30 2h6r h GLY 18 CO 0.02 0.00 -0.79 -2.00 0.00 0.00 0.00 176.54 173.78 2h6r h LEU 19 N 0.00 0.64 -1.00 3.11 6.46 -1.14 -2.78 115.31 120.61 2h6r h LEU 19 Ca 0.00 -0.44 -0.10 0.00 -0.12 0.00 0.00 57.88 57.22 2h6r h LEU 19 Cb 0.82 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.54 2h6r h LEU 19 CO 0.00 1.21 -0.47 -0.33 -0.62 0.00 0.00 178.44 178.23 2h6r h GLU 20 N 0.35 0.08 0.00 1.25 4.39 -1.00 -2.49 114.58 117.16 2h6r h GLU 20 Ca -0.05 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.50 2h6r h GLU 20 Cb 1.39 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.02 2h6r h GLU 20 CO 0.14 0.53 -0.54 0.82 -1.16 0.00 0.00 179.01 178.81 2h6r h ILE 21 N 0.07 1.20 -0.01 3.13 2.04 -1.46 -2.51 117.51 119.97 2h6r h ILE 21 Ca 0.00 -1.97 -0.00 0.00 1.00 0.00 0.00 64.86 63.89 2h6r h ILE 21 Cb 0.85 2.12 -0.00 0.00 -0.74 0.00 0.00 36.82 39.05 2h6r h ILE 21 CO 0.06 0.53 -0.01 0.00 0.00 0.00 0.00 178.15 178.73 2h6r h ALA 22 N 1.46 0.01 0.00 1.87 0.00 -1.17 -2.25 119.26 119.18 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 1.07 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2h6r h ALA 22 CO 0.07 -0.21 -0.10 1.57 0.00 0.00 0.00 179.25 180.58 2h6r h LYS 23 N -0.53 0.00 -0.06 0.00 2.10 -1.50 0.18 116.57 116.75 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 0.56 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 1.32 0.00 0.07 1.08 -1.44 -0.84 117.51 117.70 2h6r h ILE 24 Ca -0.00 -2.18 -0.11 0.00 -0.39 0.00 0.00 64.86 62.18 2h6r h ILE 24 Cb 0.57 2.21 -0.02 0.00 -3.07 0.00 0.00 36.82 36.52 2h6r h ILE 24 CO 0.01 0.67 -0.52 0.00 -0.69 0.00 0.00 178.15 177.63 2h6r h ALA 25 N 0.61 0.88 -0.15 1.87 0.00 -0.82 -2.86 119.26 118.78 2h6r h ALA 25 Ca -0.08 -0.47 -0.19 0.00 0.00 0.00 0.00 54.91 54.17 2h6r h ALA 25 Cb 1.52 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 2h6r h ALA 25 CO 0.17 0.65 -0.67 1.49 0.00 0.00 0.00 179.25 180.89 2h6r h GLU 26 N 0.00 0.59 -0.11 0.00 4.81 -0.49 -2.47 114.58 116.91 2h6r h GLU 26 Ca -0.01 -0.44 -0.01 0.00 -0.13 0.00 0.00 59.36 58.77 2h6r h GLU 26 Cb 1.10 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.56 2h6r h GLU 26 CO 0.07 1.06 0.03 -0.22 -0.73 0.00 0.00 179.01 179.21 2h6r h LYS 27 N 0.42 0.19 0.00 1.92 3.64 -0.98 -2.64 116.57 119.12 2h6r h LYS 27 Ca -0.02 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2h6r h LYS 27 Cb 1.26 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2h6r h LYS 27 CO 0.13 0.37 0.00 1.33 -2.27 0.00 0.00 179.45 179.00 2h6r n VAL 28 N -4.85 0.49 -0.01 2.00 0.24 -1.10 -3.13 118.33 111.97 2h6r n VAL 28 Ca -0.06 0.08 -0.18 0.00 -2.04 0.00 0.00 64.34 62.14 2h6r n VAL 28 Cb 0.16 -0.74 -0.08 0.00 -1.47 0.00 0.00 33.84 31.70 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 0.86 -2.21 -1.34 0.87 -1.07 -3.21 113.55 107.44 2h6r h SER 29 Ca 0.00 -0.66 -0.74 0.00 -1.23 0.00 0.00 61.79 59.15 2h6r h SER 29 Cb 0.43 -0.26 -0.31 0.00 -0.44 0.00 0.00 62.40 61.82 2h6r h SER 29 CO 0.00 1.40 0.55 1.21 -0.53 0.00 0.00 176.83 179.46 2h6r n GLU 30 N -3.99 4.60 0.00 2.24 2.13 -1.14 -2.15 120.64 122.33 2h6r n GLU 30 Ca -0.09 -4.62 0.00 0.00 0.66 0.00 0.00 57.16 53.11 2h6r n GLU 30 Cb 0.75 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 30.07 2h6r n GLU 30 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2h6r n GLU 31 N -0.16 0.00 0.00 5.31 0.28 -1.25 -4.87 120.64 119.95 2h6r n GLU 31 Ca 0.43 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.43 2h6r n GLU 31 Cb 0.30 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.17 2h6r n GLU 31 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2h6r n SER 32 N 0.00 1.43 -0.04 -1.84 2.88 -1.21 -5.04 113.62 109.80 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 0.17 0.22 -0.00 0.00 -0.75 0.00 0.00 64.21 63.85 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 0.93 0.47 3.72 0.46 0.00 -0.92 -5.02 105.19 104.84 2h6r n GLY 33 Ca 0.00 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 2h6r n GLY 33 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2h6r s ILE 34 N -1.97 4.66 -0.04 -0.61 2.07 -1.20 -5.05 121.20 119.06 2h6r s ILE 34 Ca 0.00 -0.11 -0.30 0.00 -1.41 0.00 0.00 60.65 58.83 2h6r s ILE 34 Cb 0.00 -3.00 -0.04 0.00 0.13 0.00 0.00 42.46 39.56 2h6r s ILE 34 CO 0.00 0.59 1.19 -0.89 -1.91 0.00 0.00 174.94 173.93 2h6r s THR 35 N -0.76 4.24 -0.20 4.00 2.01 -1.22 -4.57 115.64 119.14 2h6r s THR 35 Ca 0.12 1.57 0.01 0.00 0.31 0.00 0.00 61.69 63.70 2h6r s THR 35 Cb -0.12 -4.01 0.05 0.00 0.01 0.00 0.00 72.50 68.43 2h6r s THR 35 CO 0.03 0.02 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.26 2h6r s ILE 36 N 2.03 1.58 0.36 1.82 -1.09 -1.26 -2.14 121.20 122.49 2h6r s ILE 36 Ca 0.56 -1.03 0.08 0.00 -2.23 0.00 0.00 60.65 58.03 2h6r s ILE 36 Cb -0.25 -1.70 -0.03 0.00 -1.58 0.00 0.00 42.46 38.90 2h6r s ILE 36 CO 0.23 0.11 0.29 -0.83 -1.23 0.00 0.00 174.94 173.50 2h6r s GLY 37 N 1.41 1.91 0.10 6.18 0.00 0.16 -4.24 107.32 112.85 2h6r s GLY 37 Ca -0.02 -1.75 0.03 0.00 0.00 0.00 0.00 44.72 42.98 2h6r s GLY 37 CO -0.08 -1.65 -0.10 -1.34 0.00 0.00 0.00 173.10 169.94 2h6r s VAL 38 N -2.38 0.90 -0.62 1.40 -7.23 -0.08 -1.05 120.40 111.35 2h6r s VAL 38 Ca 0.42 -1.65 0.05 0.00 -1.81 0.00 0.00 61.98 58.99 2h6r s VAL 38 Cb -0.04 -1.36 0.19 0.00 0.56 0.00 0.00 36.38 35.72 2h6r s VAL 38 CO 0.26 -0.59 0.51 0.00 -0.31 0.00 0.00 175.10 174.97 2h6r n ALA 39 N 0.53 3.36 -1.25 1.32 0.00 0.46 -0.52 120.51 124.41 2h6r n ALA 39 Ca -0.16 -4.23 -0.29 0.00 0.00 0.00 0.00 53.44 48.77 2h6r n ALA 39 Cb 0.58 -0.94 0.19 0.00 0.00 0.00 0.00 19.45 19.27 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 -1.32 0.14 0.62 0.00 0.02 -1.22 -1.58 135.00 131.65 2h6r s PRO 40 Ca 0.30 0.27 -0.14 0.00 0.02 0.00 0.00 61.00 61.45 2h6r s PRO 40 Cb 0.02 -1.72 -0.03 0.00 0.02 0.00 0.00 34.50 32.79 2h6r s PRO 40 CO -0.15 -2.87 1.05 -0.65 -0.33 0.00 0.00 177.00 174.05 2h6r s GLN 41 N -5.17 3.27 0.37 5.54 -0.21 -1.26 -4.11 119.66 118.08 2h6r s GLN 41 Ca 0.67 1.10 0.14 0.00 0.02 0.00 0.00 55.36 57.29 2h6r s GLN 41 Cb -0.15 -2.03 0.99 0.00 1.00 0.00 0.00 33.01 32.82 2h6r s GLN 41 CO 0.56 -0.84 1.78 0.74 -2.12 0.00 0.00 175.29 175.41 2h6r h PHE 42 N 0.14 0.78 0.00 0.91 -1.00 -1.96 0.33 116.94 116.14 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 0.60 0.12 0.00 -0.39 -1.61 0.00 0.00 178.31 177.03 2h6r h VAL 43 N 0.51 0.00 -0.01 -0.55 -1.51 -2.03 -3.24 116.25 109.41 2h6r h VAL 43 Ca 0.58 -0.62 0.00 0.00 -1.23 0.00 0.00 66.70 65.42 2h6r h VAL 43 Cb 1.28 1.60 0.00 0.00 -2.13 0.00 0.00 31.29 32.03 2h6r h VAL 43 CO -0.32 0.00 -0.36 0.47 -1.23 0.00 0.00 177.57 176.13 2h6r n ASP 44 N -2.59 1.85 0.00 4.19 10.43 0.01 -4.76 116.55 125.69 2h6r n ASP 44 Ca 0.04 -1.43 0.00 0.00 2.57 0.00 0.00 54.79 55.98 2h6r n ASP 44 Cb 0.43 0.44 0.00 0.00 1.84 0.00 0.00 41.12 43.83 2h6r n ASP 44 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 2h6r n LEU 45 N 0.01 0.00 0.02 0.64 4.77 -0.65 -2.43 117.00 119.37 2h6r n LEU 45 Ca 0.08 0.90 0.04 0.00 -0.03 0.00 0.00 56.01 57.00 2h6r n LEU 45 Cb 0.40 -0.40 0.19 0.00 -2.33 0.00 0.00 43.42 41.28 2h6r n LEU 45 CO 0.22 -0.40 0.63 -2.11 -1.33 0.00 0.00 177.39 174.41 2h6r n ARG 46 N -2.14 0.03 -0.06 3.23 1.85 -1.26 -2.38 116.66 115.93 2h6r n ARG 46 Ca 0.00 0.42 -0.13 0.00 -1.00 0.00 0.00 57.85 57.14 2h6r n ARG 46 Cb 0.00 -1.57 -0.07 0.00 -1.05 0.00 0.00 32.46 29.77 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 0.41 -0.00 2.89 4.05 -1.78 -2.91 114.93 117.59 2h6r h MET 47 Ca 0.00 -0.22 -0.17 0.00 -0.28 0.00 0.00 59.70 59.02 2h6r h MET 47 Cb 0.11 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.90 2h6r h MET 47 CO 0.00 0.79 -0.79 0.82 0.23 0.00 0.00 176.91 177.96 2h6r h ILE 48 N 0.05 1.52 -0.71 1.77 1.08 -1.33 -3.09 117.51 116.80 2h6r h ILE 48 Ca 0.02 -2.58 -0.07 0.00 -0.39 0.00 0.00 64.86 61.84 2h6r h ILE 48 Cb 0.73 2.40 -0.03 0.00 -3.07 0.00 0.00 36.82 36.85 2h6r h ILE 48 CO 0.04 0.74 0.17 0.58 -0.69 0.00 0.00 178.15 178.99 2h6r h VAL 49 N 0.05 1.26 0.00 1.67 2.07 -1.53 0.44 116.25 120.22 2h6r h VAL 49 Ca -0.02 -0.99 -0.12 0.00 0.82 0.00 0.00 66.70 66.39 2h6r h VAL 49 Cb 1.39 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 2h6r h VAL 49 CO 0.11 0.38 -0.58 -0.33 0.02 0.00 0.00 177.57 177.17 2h6r h GLU 50 N 1.08 0.00 0.00 1.57 5.08 -1.56 -3.37 114.58 117.38 2h6r h GLU 50 Ca 0.22 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.25 2h6r h GLU 50 Cb 0.38 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.57 2h6r h GLU 50 CO 0.00 0.58 -2.25 0.09 -1.00 0.00 0.00 179.01 176.44 2h6r n ASN 51 N -3.39 1.63 -4.68 1.42 3.02 -1.15 -4.99 115.26 107.12 2h6r n ASN 51 Ca 0.01 -0.07 -0.33 0.00 -0.03 0.00 0.00 54.58 54.15 2h6r n ASN 51 Cb 0.70 0.16 -0.09 0.00 -0.61 0.00 0.00 39.78 39.95 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 -2.44 4.16 -1.02 2.41 1.01 0.15 -5.05 120.40 119.63 2h6r s VAL 52 Ca -0.22 -0.54 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 2h6r s VAL 52 Cb 0.07 -2.83 0.31 0.00 0.00 0.00 0.00 36.38 33.92 2h6r s VAL 52 CO 0.60 0.42 1.46 -3.20 0.00 0.00 0.00 175.10 174.38 2h6r n ASN 53 N 1.54 6.31 -3.93 3.32 5.15 -1.26 -4.46 115.26 121.92 2h6r n ASN 53 Ca -0.15 -3.47 -0.09 0.00 -0.60 0.00 0.00 54.58 50.27 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 -3.06 0.16 -0.05 -1.44 -5.25 -1.26 -5.02 121.20 105.28 2h6r s ILE 54 Ca 0.33 -1.30 -0.31 0.00 -0.99 0.00 0.00 60.65 58.39 2h6r s ILE 54 Cb 0.09 -1.26 -0.09 0.00 2.95 0.00 0.00 42.46 44.14 2h6r s ILE 54 CO 0.06 -0.72 2.02 -2.65 -1.79 0.00 0.00 174.94 171.86 2h6r n PRO 55 N 0.20 2.51 -4.11 0.37 -0.02 -1.26 -4.90 135.00 127.79 2h6r n PRO 55 Ca -0.16 0.88 -0.35 0.00 -2.02 0.00 0.00 63.50 61.85 2h6r n PRO 55 Cb 0.61 -2.98 -0.12 0.00 -0.02 0.00 0.00 33.50 30.99 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 5.30 4.04 0.12 -1.45 1.01 -1.26 -0.90 120.40 127.26 2h6r s VAL 56 Ca 0.93 -0.29 0.10 0.00 0.00 0.00 0.00 61.98 62.73 2h6r s VAL 56 Cb -0.47 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 2h6r s VAL 56 CO 0.43 0.44 -0.25 -0.31 0.00 0.00 0.00 175.10 175.40 2h6r s TYR 57 N 0.85 2.36 0.47 5.22 1.51 0.33 -0.68 117.35 127.40 2h6r s TYR 57 Ca 0.01 -0.36 -0.14 0.00 -1.01 0.00 0.00 57.07 55.57 2h6r s TYR 57 Cb -0.14 -1.28 -0.07 0.00 -0.11 0.00 0.00 41.96 40.35 2h6r s TYR 57 CO 0.02 0.33 0.90 0.00 -1.11 0.00 0.00 175.55 175.69 2h6r s ALA 58 N -1.05 3.18 -0.88 3.71 0.00 -0.79 -3.43 121.76 122.49 2h6r s ALA 58 Ca 0.15 0.04 0.26 0.00 0.00 0.00 0.00 51.96 52.40 2h6r s ALA 58 Cb -0.10 -2.95 0.71 0.00 0.00 0.00 0.00 23.12 20.77 2h6r s ALA 58 CO 0.06 -0.13 1.58 1.04 0.00 0.00 0.00 175.76 178.31 2h6r n GLN 59 N -1.43 0.11 -3.62 0.00 6.02 -1.26 0.79 117.38 117.98 2h6r n GLN 59 Ca 0.05 0.05 -0.04 0.00 -0.01 0.00 0.00 57.00 57.04 2h6r n GLN 59 Cb 0.54 -1.59 -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 -0.13 -0.14 1.08 5.04 -1.17 -4.52 115.29 112.39 2h6r s HIS 60 Ca 0.11 0.20 -0.04 0.00 -1.54 0.00 0.00 55.06 53.78 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 0.64 -0.14 0.21 0.42 -2.34 0.00 0.00 174.74 173.53 2h6r s ILE 61 N -1.36 -0.32 0.46 0.89 1.01 -1.26 -4.93 121.20 115.69 2h6r s ILE 61 Ca 0.07 0.14 -0.23 0.00 0.00 0.00 0.00 60.65 60.63 2h6r s ILE 61 Cb -0.01 -0.48 -0.08 0.00 0.01 0.00 0.00 42.46 41.90 2h6r s ILE 61 CO -0.05 -0.01 1.14 -1.81 0.00 0.00 0.00 174.94 174.22 2h6r s ASP 62 N 2.33 6.24 -1.18 3.58 -0.00 -0.96 -4.94 116.67 121.74 2h6r s ASP 62 Ca 0.04 2.25 -0.19 0.00 -0.00 0.00 0.00 52.55 54.65 2h6r s ASP 62 Cb -0.14 -2.60 0.08 0.00 -0.00 0.00 0.00 42.92 40.27 2h6r s ASP 62 CO -0.09 -0.87 1.57 0.21 -0.00 0.00 0.00 175.17 176.00 2h6r s ASN 63 N -1.43 6.76 0.04 0.27 2.47 -1.26 -4.65 114.94 117.13 2h6r s ASN 63 Ca 0.63 -2.22 -0.05 0.00 0.42 0.00 0.00 52.86 51.64 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 0.33 -1.20 0.08 0.27 -3.72 0.00 0.00 177.10 172.86 2h6r s ILE 64 N 3.95 0.13 -0.05 -5.21 -4.36 -1.26 -5.08 121.20 109.32 2h6r s ILE 64 Ca 0.49 -1.11 -0.03 0.00 -0.26 0.00 0.00 60.65 59.74 2h6r s ILE 64 Cb 0.01 -0.87 -0.04 0.00 1.25 0.00 0.00 42.46 42.81 2h6r s ILE 64 CO 0.01 -0.61 0.11 0.20 0.24 0.00 0.00 174.94 174.88 2h6r s ASN 65 N -2.10 5.94 -0.42 4.36 0.01 -1.26 -4.71 114.94 116.76 2h6r s ASN 65 Ca -0.05 0.27 -0.40 0.00 -0.71 0.00 0.00 52.86 51.97 2h6r s ASN 65 Cb -0.01 -1.79 -0.15 0.00 0.41 0.00 0.00 41.25 39.70 2h6r s ASN 65 CO -0.04 0.32 2.12 -2.65 -1.51 0.00 0.00 177.10 175.33 2h6r n PRO 66 N 1.46 0.56 0.00 -0.60 -0.02 -1.26 -4.65 135.00 130.50 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 6.74 0.71 3.35 -1.23 0.00 -1.26 -5.08 105.19 108.42 2h6r n GLY 67 Ca 0.46 0.32 -0.46 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 6.77 -0.39 1.61 0.01 -1.26 -4.92 113.70 117.52 2h6r s SER 68 Ca 0.00 -2.63 0.03 0.00 1.31 0.00 0.00 55.95 54.65 2h6r s SER 68 Cb 0.00 -2.24 0.16 0.00 0.21 0.00 0.00 66.02 64.15 2h6r s SER 68 CO 0.00 -0.64 0.35 -1.00 0.41 0.00 0.00 173.24 172.36 2h6r s HIS 69 N 0.50 0.30 0.11 2.43 4.02 -1.26 -5.13 115.29 116.27 2h6r s HIS 69 Ca 0.21 -1.48 -0.31 0.00 1.02 0.00 0.00 55.06 54.50 2h6r s HIS 69 Cb -0.09 -0.64 -0.07 0.00 -1.02 0.00 0.00 32.58 30.76 2h6r s HIS 69 CO -0.09 -0.91 1.25 0.99 1.02 0.00 0.00 174.74 176.99 2h6r s THR 70 N 0.87 3.70 -0.29 1.30 2.01 -1.26 -3.22 115.64 118.75 2h6r s THR 70 Ca 0.23 1.28 0.00 0.00 0.31 0.00 0.00 61.69 63.51 2h6r s THR 70 Cb -0.11 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.58 2h6r s THR 70 CO -0.07 0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.61 2h6r n GLY 71 N 2.97 0.59 3.62 4.40 0.00 -1.26 -5.04 105.19 110.46 2h6r n GLY 71 Ca 0.08 -0.93 -0.25 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.10 2.71 -0.37 1.61 4.02 -1.20 -5.10 115.29 114.86 2h6r s HIS 72 Ca 0.00 -0.20 -0.18 0.00 1.02 0.00 0.00 55.06 55.70 2h6r s HIS 72 Cb 0.00 -1.27 0.00 0.00 -1.02 0.00 0.00 32.58 30.29 2h6r s HIS 72 CO 0.00 0.56 0.51 0.42 1.02 0.00 0.00 174.74 177.24 2h6r s ILE 73 N -1.94 5.01 -0.03 0.60 1.09 -1.26 -5.02 121.20 119.64 2h6r s ILE 73 Ca 0.28 0.19 -0.20 0.00 -1.10 0.00 0.00 60.65 59.82 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 0.18 -0.29 0.56 -0.22 -0.10 0.00 0.00 174.94 175.07 2h6r s LEU 74 N 2.39 4.38 0.17 2.97 1.98 -1.26 -2.28 118.68 127.03 2h6r s LEU 74 Ca 0.18 1.07 -0.14 0.00 -2.89 0.00 0.00 54.13 52.35 2h6r s LEU 74 Cb -0.16 -2.86 0.12 0.00 0.66 0.00 0.00 46.19 43.96 2h6r s LEU 74 CO 0.14 0.08 1.76 0.00 -1.89 0.00 0.00 176.35 176.44 2h6r h ALA 75 N 5.89 0.56 0.00 5.97 0.00 -1.84 -1.63 119.26 128.21 2h6r h ALA 75 Ca -0.44 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2h6r h ALA 75 Cb 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2h6r h ALA 75 CO 0.71 -0.19 0.00 0.93 0.00 0.00 0.00 179.25 180.70 2h6r h GLU 76 N 0.38 0.00 0.03 0.00 3.07 -1.95 -2.22 114.58 113.89 2h6r h GLU 76 Ca 0.21 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.85 2h6r h GLU 76 Cb 0.17 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 2h6r h GLU 76 CO -0.19 0.00 -0.99 0.00 -1.40 0.00 0.00 179.01 176.44 2h6r h ALA 77 N 2.03 0.39 -0.24 3.43 0.00 -1.72 -2.52 119.26 120.64 2h6r h ALA 77 Ca 0.00 -0.81 -0.08 0.00 0.00 0.00 0.00 54.91 54.02 2h6r h ALA 77 Cb 0.37 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2h6r h ALA 77 CO 0.00 1.03 -0.18 0.82 0.00 0.00 0.00 179.25 180.92 2h6r h ILE 78 N 0.06 1.31 0.00 0.00 1.08 -1.05 -3.01 117.51 115.91 2h6r h ILE 78 Ca -0.05 -1.31 -0.05 0.00 -0.39 0.00 0.00 64.86 63.06 2h6r h ILE 78 Cb 1.67 1.64 -0.01 0.00 -3.07 0.00 0.00 36.82 37.06 2h6r h ILE 78 CO 0.15 0.40 -0.26 0.50 -0.69 0.00 0.00 178.15 178.25 2h6r h LYS 79 N 0.25 0.00 0.00 2.37 3.11 -1.53 -2.41 116.57 118.35 2h6r h LYS 79 Ca 0.05 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 57.83 2h6r h LYS 79 Cb 0.71 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.93 2h6r h LYS 79 CO 0.05 0.26 -0.25 0.22 -2.81 0.00 0.00 179.45 176.91 2h6r h ASP 80 N 0.00 0.00 0.98 4.20 3.58 -1.31 -2.58 116.42 121.29 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 0.57 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.60 2h6r h ASP 80 CO 0.03 0.25 -0.57 0.00 -2.88 0.00 0.00 179.24 176.08 2h6r n GLY 82 N 0.67 1.17 3.78 0.00 0.00 -0.97 -4.69 105.19 105.14 2h6r n GLY 82 Ca 0.00 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 2.02 0.21 0.00 0.00 3.64 -1.27 -3.45 116.57 117.72 2h6r h LYS 84 Ca -0.49 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 58.55 2h6r h LYS 84 Cb 1.24 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 2h6r h LYS 84 CO 0.60 1.14 0.00 0.41 -2.27 0.00 0.00 179.45 179.33 2h6r n GLY 85 N 1.39 2.98 3.48 5.01 0.00 -1.20 0.09 105.19 116.93 2h6r n GLY 85 Ca -0.06 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.57 0.00 -0.15 2.61 -1.32 0.22 -1.89 115.64 114.55 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 -2.22 3.94 0.05 9.08 1.02 0.24 -1.54 118.68 129.24 2h6r s LEU 87 Ca 0.00 0.21 0.00 0.00 0.02 0.00 0.00 54.13 54.36 2h6r s LEU 87 Cb -0.01 -1.97 -0.03 0.00 0.02 0.00 0.00 46.19 44.20 2h6r s LEU 87 CO -0.06 0.28 -0.04 0.27 0.02 0.00 0.00 176.35 176.82 2h6r s ILE 88 N -0.28 0.31 -1.38 -0.59 -4.36 -0.98 -3.05 121.20 110.88 2h6r s ILE 88 Ca 0.09 -1.49 -0.08 0.00 -0.26 0.00 0.00 60.65 58.91 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 0.01 -0.76 1.05 -3.20 0.24 0.00 0.00 174.94 172.28 2h6r n ASN 89 N 0.67 -4.67 -4.82 4.36 4.05 -1.26 -0.17 115.26 113.43 2h6r n ASN 89 Ca -0.18 -0.65 -0.33 0.00 0.45 0.00 0.00 54.58 53.88 2h6r n ASN 89 Cb 0.58 -4.63 -0.02 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 3.16 0.59 1.20 2.46 -1.23 -4.06 115.29 114.05 2h6r s HIS 90 Ca 0.45 1.52 0.29 0.00 0.47 0.00 0.00 55.06 57.78 2h6r s HIS 90 Cb -0.21 -2.94 1.54 0.00 -0.13 0.00 0.00 32.58 30.85 2h6r s HIS 90 CO 0.77 -0.75 1.97 0.66 -2.47 0.00 0.00 174.74 174.92 2h6r h SER 91 N 0.93 0.00 0.90 9.88 4.64 -1.93 -0.39 113.55 127.58 2h6r h SER 91 Ca -0.48 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.65 2h6r h SER 91 Cb 1.21 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.26 2h6r h SER 91 CO 0.59 0.00 -1.18 -0.33 -0.87 0.00 0.00 176.83 175.04 2h6r h GLU 92 N 0.00 0.00 -2.01 4.77 5.08 -2.02 -3.41 114.58 116.99 2h6r h GLU 92 Ca 0.16 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.99 2h6r h GLU 92 Cb 0.92 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 29.80 2h6r h GLU 92 CO -0.00 0.56 -0.99 1.17 -1.00 0.00 0.00 179.01 178.75 2h6r n LYS 93 N -3.12 0.46 -2.63 2.33 4.81 -0.22 -5.13 118.16 114.68 2h6r n LYS 93 Ca -0.06 -3.06 -0.35 0.00 -0.87 0.00 0.00 58.31 53.97 2h6r n LYS 93 Cb 0.89 -1.45 -0.05 0.00 0.02 0.00 0.00 35.03 34.45 2h6r n LYS 93 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2h6r s ARG 94 N -0.41 4.05 0.52 1.64 0.52 -0.82 -3.47 118.95 121.00 2h6r s ARG 94 Ca 0.34 1.34 0.02 0.00 -0.52 0.00 0.00 55.73 56.91 2h6r s ARG 94 Cb 0.10 -2.28 0.02 0.00 0.52 0.00 0.00 34.95 33.32 2h6r s ARG 94 CO -0.16 -0.21 0.20 -1.33 0.02 0.00 0.00 175.30 173.83 2h6r n MET 95 N -0.55 0.73 -1.77 3.54 2.81 -1.26 -4.98 117.12 115.65 2h6r n MET 95 Ca 0.07 -3.54 -0.31 0.00 -1.81 0.00 0.00 57.70 52.11 2h6r n MET 95 Cb 0.52 0.67 0.03 0.00 -0.71 0.00 0.00 33.22 33.73 2h6r n MET 95 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2h6r s LEU 96 N 0.00 3.13 0.08 4.03 1.43 -1.26 -4.93 118.68 121.16 2h6r s LEU 96 Ca 0.15 1.43 -0.21 0.00 -1.03 0.00 0.00 54.13 54.48 2h6r s LEU 96 Cb -0.01 -4.38 -0.11 0.00 0.03 0.00 0.00 46.19 41.72 2h6r s LEU 96 CO 0.10 -1.15 1.62 0.25 0.23 0.00 0.00 176.35 177.39 2h6r h LEU 97 N -0.52 0.19 -1.62 1.79 6.46 -2.01 -2.51 115.31 117.11 2h6r h LEU 97 Ca -0.44 -0.16 -0.02 0.00 -0.12 0.00 0.00 57.88 57.13 2h6r h LEU 97 Cb 1.21 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 41.08 2h6r h LEU 97 CO 0.61 0.30 -0.10 0.00 -0.62 0.00 0.00 178.44 178.63 2h6r h ALA 98 N 0.90 1.07 -0.03 1.25 0.00 -2.00 -3.02 119.26 117.43 2h6r h ALA 98 Ca 0.05 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 2h6r h ALA 98 Cb 0.17 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.95 2h6r h ALA 98 CO -0.00 0.12 -0.47 -0.44 0.00 0.00 0.00 179.25 178.45 2h6r h ASP 99 N 0.00 0.47 0.67 0.00 5.19 -1.85 -3.04 116.42 117.86 2h6r h ASP 99 Ca -0.00 -0.72 -0.12 0.00 -0.62 0.00 0.00 57.03 55.57 2h6r h ASP 99 Cb 0.49 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.84 2h6r h ASP 99 CO 0.01 1.12 -0.55 0.16 -3.12 0.00 0.00 179.24 176.86 2h6r h ILE 100 N -0.14 1.31 -0.25 0.35 3.07 -1.43 -1.81 117.51 118.60 2h6r h ILE 100 Ca -0.05 -1.96 -0.13 0.00 1.55 0.00 0.00 64.86 64.27 2h6r h ILE 100 Cb 1.17 2.08 -0.01 0.00 -0.27 0.00 0.00 36.82 39.79 2h6r h ILE 100 CO 0.10 0.54 -0.40 -0.08 -1.05 0.00 0.00 178.15 177.26 2h6r h GLU 101 N 0.00 0.59 0.00 0.16 4.22 -1.61 -1.15 114.58 116.79 2h6r h GLU 101 Ca -0.01 -0.30 -0.18 0.00 0.08 0.00 0.00 59.36 58.96 2h6r h GLU 101 Cb 1.04 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 2h6r h GLU 101 CO 0.07 0.89 -0.85 0.00 -2.18 0.00 0.00 179.01 176.94 2h6r h ALA 102 N 1.08 0.60 -0.28 2.92 0.00 -1.41 -2.72 119.26 119.46 2h6r h ALA 102 Ca 0.04 -0.76 -0.12 0.00 0.00 0.00 0.00 54.91 54.08 2h6r h ALA 102 Cb 0.91 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2h6r h ALA 102 CO 0.08 1.04 -0.28 0.28 0.00 0.00 0.00 179.25 180.37 2h6r h VAL 103 N 0.01 1.30 -0.73 0.00 2.07 -1.10 -0.60 116.25 117.21 2h6r h VAL 103 Ca -0.01 -1.44 -0.04 0.00 0.82 0.00 0.00 66.70 66.03 2h6r h VAL 103 Cb 1.49 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 32.83 2h6r h VAL 103 CO 0.11 0.46 0.30 0.40 0.02 0.00 0.00 177.57 178.86 2h6r h ILE 104 N 0.41 1.24 -0.36 4.57 5.03 -1.23 0.10 117.51 127.27 2h6r h ILE 104 Ca 0.04 -0.75 -0.04 0.00 -0.12 0.00 0.00 64.86 63.99 2h6r h ILE 104 Cb 0.84 0.36 -0.01 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 1.05 0.57 -0.64 1.72 -0.26 -1.31 -0.22 115.58 116.50 2h6r h ASN 105 Ca 0.25 -0.26 -0.06 0.00 -0.56 0.00 0.00 56.30 55.66 2h6r h ASN 105 Cb 0.18 -0.15 -0.03 0.00 -1.06 0.00 0.00 38.32 37.26 2h6r h ASN 105 CO -0.02 0.69 0.16 0.11 -1.06 0.00 0.00 177.43 177.30 2h6r h LYS 106 N 0.44 1.04 -0.33 0.81 1.57 -0.75 -2.24 116.57 117.12 2h6r h LYS 106 Ca 0.11 -0.24 -0.15 0.00 -1.87 0.00 0.00 60.65 58.50 2h6r h LYS 106 Cb 0.36 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 2h6r h LYS 106 CO 0.01 0.92 -0.39 0.00 -0.57 0.00 0.00 179.45 179.42 2h6r n LYS 108 N -4.05 0.15 0.04 0.00 2.85 -0.11 0.62 118.16 117.67 2h6r n LYS 108 Ca -0.02 0.29 0.03 0.00 -1.05 0.00 0.00 58.31 57.57 2h6r n LYS 108 Cb 0.53 -1.74 -0.08 0.00 -0.65 0.00 0.00 35.03 33.09 2h6r n LYS 108 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2h6r n ASN 109 N -2.02 0.71 -0.62 -5.58 5.03 -0.86 -3.99 115.26 107.93 2h6r n ASN 109 Ca 0.04 0.30 0.10 0.00 0.87 0.00 0.00 54.58 55.89 2h6r n ASN 109 Cb 0.28 0.48 0.04 0.00 -1.02 0.00 0.00 39.78 39.55 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 -2.76 2.26 -0.17 3.41 4.77 -0.73 -4.97 117.00 118.80 2h6r n LEU 110 Ca -0.08 -0.87 -0.02 0.00 -0.03 0.00 0.00 56.01 55.01 2h6r n LEU 110 Cb 0.76 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.84 2h6r n LEU 110 CO 0.43 0.40 -0.02 0.61 -1.33 0.00 0.00 177.39 177.48 2h6r n GLY 111 N 1.25 0.53 3.72 -0.72 0.00 0.12 -5.02 105.19 105.07 2h6r n GLY 111 Ca 0.10 -0.97 -0.39 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.51 4.30 0.18 0.99 1.43 0.20 -4.88 118.68 120.40 2h6r s LEU 112 Ca 0.00 1.03 -0.30 0.00 -1.03 0.00 0.00 54.13 53.83 2h6r s LEU 112 Cb 0.00 -2.92 -0.08 0.00 0.03 0.00 0.00 46.19 43.22 2h6r s LEU 112 CO 0.00 -0.06 1.24 -0.70 0.23 0.00 0.00 176.35 177.06 2h6r s GLU 113 N 0.70 4.45 -0.26 1.70 2.12 0.11 -4.24 118.70 123.28 2h6r s GLU 113 Ca 0.33 1.93 -0.08 0.00 0.36 0.00 0.00 54.97 57.51 2h6r s GLU 113 Cb -0.17 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 2h6r s GLU 113 CO 0.15 -0.16 0.09 0.95 -0.54 0.00 0.00 175.26 175.76 2h6r s THR 114 N 0.07 4.48 -0.70 -1.70 -4.23 -1.26 -0.61 115.64 111.69 2h6r s THR 114 Ca 0.54 -0.13 0.02 0.00 -1.18 0.00 0.00 61.69 60.95 2h6r s THR 114 Cb -0.34 -3.12 0.17 0.00 1.34 0.00 0.00 72.50 70.56 2h6r s THR 114 CO 0.37 0.31 0.51 -0.63 -0.54 0.00 0.00 174.62 174.64 2h6r s ILE 115 N 1.64 3.26 -0.22 2.99 1.01 -0.59 0.07 121.20 129.35 2h6r s ILE 115 Ca 0.06 -3.88 -0.26 0.00 0.00 0.00 0.00 60.65 56.58 2h6r s ILE 115 Cb -0.15 -3.12 -0.00 0.00 0.01 0.00 0.00 42.46 39.19 2h6r s ILE 115 CO 0.05 -0.97 0.88 0.54 0.00 0.00 0.00 174.94 175.43 2h6r s VAL 116 N -1.08 4.81 0.40 2.92 0.11 -0.82 -2.31 120.40 124.45 2h6r s VAL 116 Ca 0.23 1.69 -0.23 0.00 -2.93 0.00 0.00 61.98 60.74 2h6r s VAL 116 Cb -0.11 -4.17 -0.10 0.00 -1.53 0.00 0.00 36.38 30.48 2h6r s VAL 116 CO -0.11 -0.07 0.97 0.00 -3.33 0.00 0.00 175.10 172.56 2h6r s THR 118 N -1.93 0.36 -0.07 0.00 -1.32 0.41 -4.60 115.64 108.50 2h6r s THR 118 Ca 0.59 -1.87 0.04 0.00 -1.21 0.00 0.00 61.69 59.24 2h6r s THR 118 Cb -0.14 -1.67 -0.07 0.00 -1.51 0.00 0.00 72.50 69.10 2h6r s THR 118 CO 0.19 -0.86 -0.01 -0.46 -2.21 0.00 0.00 174.62 171.27 2h6r n ASN 119 N 0.02 3.34 -4.70 8.08 0.23 -1.26 0.05 115.26 121.02 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 0.61 0.40 -0.08 0.00 -2.08 0.00 0.00 39.78 38.63 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 -4.15 4.26 0.20 0.53 0.02 -1.26 -4.56 114.94 109.97 2h6r s ASN 120 Ca -0.06 -1.16 0.13 0.00 -1.02 0.00 0.00 52.86 50.75 2h6r s ASN 120 Cb 0.02 -0.46 -0.05 0.00 0.02 0.00 0.00 41.25 40.79 2h6r s ASN 120 CO 0.25 -0.51 1.28 0.16 0.02 0.00 0.00 177.10 178.31 2h6r h ILE 121 N 1.54 1.03 -0.08 0.60 -2.65 -1.97 -2.10 117.51 113.88 2h6r h ILE 121 Ca -0.43 -2.51 -0.16 0.00 1.03 0.00 0.00 64.86 62.79 2h6r h ILE 121 Cb 1.25 2.48 -0.01 0.00 -2.05 0.00 0.00 36.82 38.49 2h6r h ILE 121 CO 0.73 0.59 -0.63 0.78 0.03 0.00 0.00 178.15 179.64 2h6r h ASN 122 N 0.00 0.33 1.59 2.16 2.35 -1.99 -2.05 115.58 117.97 2h6r h ASN 122 Ca -0.04 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 2h6r h ASN 122 Cb 1.54 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.81 2h6r h ASN 122 CO 0.08 0.87 -0.13 0.71 -1.65 0.00 0.00 177.43 177.32 2h6r h THR 123 N 0.21 0.00 -0.02 2.81 1.35 -1.95 -2.81 112.91 112.49 2h6r h THR 123 Ca -0.01 -0.72 -0.06 0.00 -0.55 0.00 0.00 66.41 65.07 2h6r h THR 123 Cb 1.16 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 2h6r h THR 123 CO 0.10 0.00 -0.22 0.28 -0.25 0.00 0.00 175.52 175.43 2h6r h SER 124 N 0.00 0.22 0.69 5.36 0.02 -0.91 -2.85 113.55 116.08 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 0.86 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.33 2h6r h SER 124 CO 0.00 0.91 0.00 2.29 -1.14 0.00 0.00 176.83 178.89 2h6r n LYS 125 N -4.54 0.07 -0.02 3.45 2.85 -0.81 -2.14 118.16 117.02 2h6r n LYS 125 Ca -0.09 0.11 -0.16 0.00 -1.05 0.00 0.00 58.31 57.11 2h6r n LYS 125 Cb 0.47 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 33.21 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 2.83 -0.03 0.00 0.58 0.00 -1.41 -3.31 119.26 117.91 2h6r h ALA 126 Ca 0.00 -0.57 -0.06 0.00 0.00 0.00 0.00 54.91 54.28 2h6r h ALA 126 Cb 0.34 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2h6r h ALA 126 CO 0.00 0.15 -0.28 0.28 0.00 0.00 0.00 179.25 179.39 2h6r h VAL 127 N -0.74 0.57 -0.00 0.00 2.07 -1.45 -2.95 116.25 113.75 2h6r h VAL 127 Ca -0.06 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.01 2h6r h VAL 127 Cb 1.25 2.01 -0.00 0.00 -1.52 0.00 0.00 31.29 33.03 2h6r h VAL 127 CO 0.06 0.28 0.01 0.00 0.02 0.00 0.00 177.57 177.93 2h6r h ALA 128 N 1.72 1.31 0.00 1.67 0.00 -1.51 0.11 119.26 122.55 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 0.99 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2h6r h ALA 128 CO 0.04 -0.01 -0.71 0.00 0.00 0.00 0.00 179.25 178.57 2h6r h ALA 129 N 1.99 0.61 0.00 0.00 0.00 -1.62 -3.01 119.26 117.24 2h6r h ALA 129 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2h6r h ALA 129 Cb 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.69 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 -3.38 0.35 -3.18 0.00 4.32 0.37 -4.95 117.00 110.53 2h6r n LEU 130 Ca 0.01 0.55 -0.11 0.00 -0.02 0.00 0.00 56.01 56.44 2h6r n LEU 130 Cb 0.78 -0.47 0.05 0.00 -1.62 0.00 0.00 43.42 42.16 2h6r n LEU 130 CO 0.43 -0.22 0.12 -1.20 -1.22 0.00 0.00 177.39 175.30 2h6r n SER 131 N -1.85 -6.93 -3.93 -1.43 7.64 -1.13 -5.00 113.62 100.99 2h6r n SER 131 Ca 0.05 -0.52 -0.24 0.00 1.01 0.00 0.00 58.87 59.17 2h6r n SER 131 Cb 0.30 -5.19 0.15 0.00 -1.01 0.00 0.00 64.21 58.45 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 -2.80 -0.67 0.06 1.43 -0.04 -1.26 -5.03 135.00 126.69 2h6r n PRO 132 Ca -0.05 -2.08 -0.22 0.00 -0.04 0.00 0.00 63.50 61.11 2h6r n PRO 132 Cb 0.58 -0.95 -0.15 0.00 -0.04 0.00 0.00 33.50 32.95 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 -1.11 0.55 -5.19 3.54 3.32 -1.89 -3.42 116.42 112.20 2h6r h ASP 133 Ca -0.34 -0.91 -0.09 0.00 0.02 0.00 0.00 57.03 55.70 2h6r h ASP 133 Cb 1.07 -0.18 -0.14 0.00 0.22 0.00 0.00 39.33 40.30 2h6r h ASP 133 CO 0.29 1.64 -0.37 0.00 -1.72 0.00 0.00 179.24 179.08 2h6r s ILE 135 N -3.90 -0.27 -0.22 0.00 2.07 -0.72 -1.94 121.20 116.22 2h6r s ILE 135 Ca 0.09 0.31 -0.12 0.00 -1.41 0.00 0.00 60.65 59.52 2h6r s ILE 135 Cb 0.05 -0.33 -0.05 0.00 0.13 0.00 0.00 42.46 42.25 2h6r s ILE 135 CO -0.08 0.13 0.22 0.00 -1.91 0.00 0.00 174.94 173.31 2h6r s ALA 136 N 2.16 3.61 -0.12 1.50 0.00 -0.57 0.11 121.76 128.45 2h6r s ALA 136 Ca 0.01 -0.73 -0.13 0.00 0.00 0.00 0.00 51.96 51.11 2h6r s ALA 136 Cb -0.12 -2.38 -0.05 0.00 0.00 0.00 0.00 23.12 20.58 2h6r s ALA 136 CO -0.07 -0.13 0.30 0.08 0.00 0.00 0.00 175.76 175.94 2h6r s VAL 137 N 0.94 5.27 -0.59 0.00 1.01 -0.05 0.16 120.40 127.14 2h6r s VAL 137 Ca 0.11 0.57 0.03 0.00 0.00 0.00 0.00 61.98 62.69 2h6r s VAL 137 Cb -0.13 -3.62 0.39 0.00 0.00 0.00 0.00 36.38 33.02 2h6r s VAL 137 CO 0.04 0.46 1.41 -0.62 0.00 0.00 0.00 175.10 176.39 2h6r n GLU 138 N 3.00 3.26 0.00 2.72 1.02 0.11 -1.22 120.64 129.53 2h6r n GLU 138 Ca -0.13 -4.22 0.00 0.00 -0.02 0.00 0.00 57.16 52.79 2h6r n GLU 138 Cb 0.52 -2.26 0.00 0.00 -0.02 0.00 0.00 31.44 29.68 2h6r n GLU 138 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2h6r n VAL 156 N -0.47 0.00 -0.05 2.62 0.24 -1.26 -4.53 118.33 114.88 2h6r n VAL 156 Ca 0.44 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.60 2h6r n VAL 156 Cb 0.50 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.73 2h6r n VAL 156 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2h6r n VAL 157 N -0.97 1.60 -0.02 3.34 0.31 -1.26 -4.11 118.33 117.23 2h6r n VAL 157 Ca 0.00 -0.74 -0.05 0.00 -0.01 0.00 0.00 64.34 63.55 2h6r n VAL 157 Cb 0.00 -1.17 0.17 0.00 -0.91 0.00 0.00 33.84 31.93 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 0.02 0.57 0.00 5.55 4.81 -1.94 -1.24 114.58 122.34 2h6r h GLU 158 Ca -0.42 -0.22 -0.08 0.00 -0.13 0.00 0.00 59.36 58.51 2h6r h GLU 158 Cb 2.05 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.39 2h6r h GLU 158 CO 0.05 0.76 -0.38 0.78 -0.73 0.00 0.00 179.01 179.49 2h6r h GLY 159 N 1.01 0.00 1.66 1.92 0.00 -1.91 -1.68 103.07 104.06 2h6r h GLY 159 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.14 2h6r h GLY 159 CO 0.05 0.00 -1.18 -0.84 0.00 0.00 0.00 176.54 174.57 2h6r h THR 160 N 0.00 1.51 -0.22 4.70 2.02 -1.64 -2.81 112.91 116.47 2h6r h THR 160 Ca -0.00 -3.02 -0.10 0.00 0.77 0.00 0.00 66.41 64.05 2h6r h THR 160 Cb 0.89 2.87 -0.00 0.00 -1.74 0.00 0.00 68.15 70.17 2h6r h THR 160 CO 0.05 0.88 -0.27 0.58 0.37 0.00 0.00 175.52 177.13 2h6r h VAL 161 N 0.08 1.32 0.00 3.16 2.07 -1.03 -2.65 116.25 119.22 2h6r h VAL 161 Ca -0.12 -1.46 -0.07 0.00 0.82 0.00 0.00 66.70 65.87 2h6r h VAL 161 Cb 1.90 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 33.42 2h6r h VAL 161 CO 0.19 0.45 -0.36 0.08 0.02 0.00 0.00 177.57 177.96 2h6r h ARG 162 N 0.26 0.00 -0.15 1.57 0.11 -1.41 -0.97 114.38 113.79 2h6r h ARG 162 Ca 0.03 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.89 2h6r h ARG 162 Cb 0.84 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.93 2h6r h ARG 162 CO 0.06 0.36 -0.76 0.00 0.10 0.00 0.00 179.97 179.73 2h6r h ALA 163 N 1.64 0.36 0.02 0.08 0.00 -1.45 -2.42 119.26 117.48 2h6r h ALA 163 Ca -0.00 -0.60 -0.23 0.00 0.00 0.00 0.00 54.91 54.08 2h6r h ALA 163 Cb 0.87 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2h6r h ALA 163 CO 0.05 0.69 -0.98 0.28 0.00 0.00 0.00 179.25 179.29 2h6r h VAL 164 N 0.52 1.41 0.00 0.00 2.07 -1.40 -3.20 116.25 115.65 2h6r h VAL 164 Ca -0.05 -2.51 -0.02 0.00 0.82 0.00 0.00 66.70 64.94 2h6r h VAL 164 Cb 1.38 2.48 -0.00 0.00 -1.52 0.00 0.00 31.29 33.63 2h6r h VAL 164 CO 0.15 0.75 -0.09 0.50 0.02 0.00 0.00 177.57 178.90 2h6r h LYS 165 N 0.21 0.00 0.01 1.57 3.64 -1.17 0.23 116.57 121.06 2h6r h LYS 165 Ca -0.09 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.04 2h6r h LYS 165 Cb 1.63 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.41 2h6r h LYS 165 CO 0.17 0.09 -1.31 0.93 -2.27 0.00 0.00 179.45 177.06 2h6r h GLU 166 N 0.00 0.01 0.03 1.90 5.08 -1.43 -3.33 114.58 116.84 2h6r h GLU 166 Ca -0.00 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.21 2h6r h GLU 166 Cb 0.36 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2h6r h GLU 166 CO 0.01 0.81 -0.67 0.82 -1.00 0.00 0.00 179.01 178.98 2h6r h ILE 167 N 0.00 1.38 -3.00 3.13 1.08 -1.51 -3.46 117.51 115.14 2h6r h ILE 167 Ca -0.13 -2.32 -0.32 0.00 -0.39 0.00 0.00 64.86 61.70 2h6r h ILE 167 Cb 1.88 2.91 -0.37 0.00 -3.07 0.00 0.00 36.82 38.17 2h6r h ILE 167 CO 0.11 0.54 -0.65 0.21 -0.69 0.00 0.00 178.15 177.66 2h6r s ASN 168 N -6.60 1.07 0.00 1.72 2.47 0.04 -4.95 114.94 108.68 2h6r s ASN 168 Ca -0.22 0.11 0.30 0.00 0.42 0.00 0.00 52.86 53.47 2h6r s ASN 168 Cb 0.01 0.21 1.41 0.00 -1.45 0.00 0.00 41.25 41.44 2h6r s ASN 168 CO 0.68 -0.27 1.96 1.17 -3.72 0.00 0.00 177.10 176.92 2h6r n LYS 169 N 5.32 0.86 0.00 0.43 3.00 -1.25 -3.52 118.16 123.00 2h6r n LYS 169 Ca -0.05 -0.24 0.11 0.00 -0.00 0.00 0.00 58.31 58.13 2h6r n LYS 169 Cb 0.50 -1.49 0.00 0.00 0.00 0.00 0.00 35.03 34.03 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 -0.86 0.75 -4.67 3.14 8.00 -1.26 -4.88 116.55 116.78 2h6r n ASP 170 Ca 0.17 -0.62 -0.39 0.00 0.71 0.00 0.00 54.79 54.66 2h6r n ASP 170 Cb 0.24 0.81 -0.06 0.00 -0.02 0.00 0.00 41.12 42.09 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 -3.06 5.08 0.22 2.53 1.01 -1.23 -4.98 120.40 119.97 2h6r s VAL 171 Ca 0.07 1.06 -0.16 0.00 0.00 0.00 0.00 61.98 62.95 2h6r s VAL 171 Cb 0.16 -3.88 -0.08 0.00 0.00 0.00 0.00 36.38 32.58 2h6r s VAL 171 CO 0.82 0.16 0.66 -1.59 0.00 0.00 0.00 175.10 175.15 2h6r s LYS 172 N 1.66 4.07 -0.18 2.72 -2.85 -1.22 -4.83 119.74 119.10 2h6r s LYS 172 Ca 0.26 0.65 -0.07 0.00 -1.00 0.00 0.00 55.97 55.81 2h6r s LYS 172 Cb -0.16 -2.76 -0.04 0.00 -2.06 0.00 0.00 37.83 32.81 2h6r s LYS 172 CO 0.10 0.35 0.06 0.08 0.10 0.00 0.00 175.35 176.05 2h6r s VAL 173 N -1.65 4.81 0.02 1.79 1.01 -1.26 -1.76 120.40 123.36 2h6r s VAL 173 Ca 0.45 -0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.47 2h6r s VAL 173 Cb -0.14 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 2h6r s VAL 173 CO 0.20 0.47 -0.21 -0.76 0.00 0.00 0.00 175.10 174.80 2h6r s LEU 174 N 0.25 2.44 -0.24 3.92 1.43 0.12 -0.97 118.68 125.63 2h6r s LEU 174 Ca 0.04 -0.44 -0.10 0.00 -1.03 0.00 0.00 54.13 52.60 2h6r s LEU 174 Cb -0.12 -1.44 -0.05 0.00 0.03 0.00 0.00 46.19 44.61 2h6r s LEU 174 CO 0.00 0.28 0.16 0.00 0.23 0.00 0.00 176.35 177.02 2h6r n GLY 176 N 4.40 4.07 2.75 0.00 0.00 -0.36 -1.63 105.19 114.42 2h6r n GLY 176 Ca -0.15 -1.90 -0.19 0.00 0.00 0.00 0.00 46.02 43.78 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 -3.65 -0.06 -0.52 4.61 0.00 -1.24 -4.57 121.76 116.33 2h6r s ALA 177 Ca 0.39 0.25 -0.02 0.00 0.00 0.00 0.00 51.96 52.59 2h6r s ALA 177 Cb 0.38 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 2h6r s ALA 177 CO -0.01 -0.92 0.44 0.41 0.00 0.00 0.00 175.76 175.68 2h6r n GLY 178 N 5.31 -0.01 2.99 0.00 0.00 -1.26 -5.05 105.19 107.18 2h6r n GLY 178 Ca -0.05 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.18 1.74 0.00 -0.61 1.09 -1.26 -4.90 121.20 114.09 2h6r s ILE 179 Ca 0.13 -1.30 0.00 0.00 -1.10 0.00 0.00 60.65 58.38 2h6r s ILE 179 Cb -0.02 -1.92 0.00 0.00 -1.06 0.00 0.00 42.46 39.46 2h6r s ILE 179 CO 0.34 -0.02 0.00 -1.54 -0.10 0.00 0.00 174.94 173.62 2h6r n SER 180 N 4.60 0.01 -4.93 3.58 3.41 -1.26 -4.93 113.62 114.10 2h6r n SER 180 Ca -0.13 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.23 2h6r n SER 180 Cb 0.44 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.40 2h6r n SER 180 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2h6r s LYS 181 N -1.94 3.14 0.06 4.33 3.01 -1.26 -4.65 119.74 122.43 2h6r s LYS 181 Ca 0.00 -0.17 0.18 0.00 -1.01 0.00 0.00 55.97 54.98 2h6r s LYS 181 Cb 0.00 -2.43 0.77 0.00 -1.01 0.00 0.00 37.83 35.16 2h6r s LYS 181 CO 0.00 -0.38 1.57 0.41 0.51 0.00 0.00 175.35 177.46 2h6r n GLY 182 N -2.27 -1.13 0.17 -3.33 0.00 -0.74 -2.07 105.19 95.81 2h6r n GLY 182 Ca 0.02 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.12 2h6r n GLY 182 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2h6r h GLU 183 N 0.00 0.00 0.00 1.61 5.08 -1.85 -3.06 114.58 116.37 2h6r h GLU 183 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 2h6r h GLU 183 Cb 0.32 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2h6r h GLU 183 CO 0.00 0.04 -0.72 -0.44 -1.00 0.00 0.00 179.01 176.90 2h6r h ASP 184 N 0.00 0.00 0.36 1.42 3.32 -1.76 -1.76 116.42 118.00 2h6r h ASP 184 Ca -0.01 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.74 2h6r h ASP 184 Cb 1.05 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.62 2h6r h ASP 184 CO 0.01 0.72 -1.30 0.58 -1.72 0.00 0.00 179.24 177.52 2h6r h VAL 185 N 0.00 1.37 -0.25 -1.35 2.07 -1.64 -2.64 116.25 113.80 2h6r h VAL 185 Ca -0.01 -2.74 -0.15 0.00 0.82 0.00 0.00 66.70 64.62 2h6r h VAL 185 Cb 1.28 2.87 -0.01 0.00 -1.52 0.00 0.00 31.29 33.92 2h6r h VAL 185 CO 0.09 0.82 -0.45 0.50 0.02 0.00 0.00 177.57 178.55 2h6r h LYS 186 N 0.16 0.65 0.00 1.57 3.11 -1.52 -2.33 116.57 118.21 2h6r h LYS 186 Ca -0.18 -0.36 -0.08 0.00 -2.81 0.00 0.00 60.65 57.22 2h6r h LYS 186 Cb 1.99 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 33.23 2h6r h LYS 186 CO 0.23 0.96 -0.37 0.00 -2.81 0.00 0.00 179.45 177.47 2h6r h ALA 187 N 0.98 0.87 0.03 5.00 0.00 -1.40 -2.94 119.26 121.80 2h6r h ALA 187 Ca 0.03 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 2h6r h ALA 187 Cb 0.98 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.73 2h6r h ALA 187 CO 0.09 0.46 -0.51 0.00 0.00 0.00 0.00 179.25 179.29 2h6r h ALA 188 N 1.63 0.02 0.00 0.00 0.00 -1.28 -3.31 119.26 116.32 2h6r h ALA 188 Ca -0.00 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2h6r h ALA 188 Cb 1.06 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2h6r h ALA 188 CO 0.05 0.26 0.00 1.47 0.00 0.00 0.00 179.25 181.03 2h6r n LEU 189 N -4.30 0.72 -0.00 0.00 -0.00 -0.89 -2.48 117.00 110.04 2h6r n LEU 189 Ca -0.11 0.61 0.14 0.00 -0.00 0.00 0.00 56.01 56.65 2h6r n LEU 189 Cb 0.65 -0.42 0.61 0.00 -0.00 0.00 0.00 43.42 44.25 2h6r n LEU 189 CO 0.44 -0.32 0.94 0.47 -0.00 0.00 0.00 177.39 178.93 2h6r n ASP 190 N -2.21 0.02 -1.00 1.45 8.00 -1.11 -3.04 116.55 118.66 2h6r n ASP 190 Ca 0.04 0.44 0.11 0.00 0.71 0.00 0.00 54.79 56.09 2h6r n ASP 190 Cb 0.35 -0.46 0.16 0.00 -0.02 0.00 0.00 41.12 41.15 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 3.14 0.00 0.64 4.77 -1.04 -4.94 117.00 118.08 2h6r n LEU 191 Ca 0.07 -1.31 0.00 0.00 -0.03 0.00 0.00 56.01 54.74 2h6r n LEU 191 Cb 0.34 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2h6r n LEU 191 CO 0.27 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 2h6r n GLY 192 N 1.32 1.11 3.79 -0.72 0.00 -1.17 -4.27 105.19 105.24 2h6r n GLY 192 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 2.96 -0.27 4.61 0.00 -1.19 -4.73 121.76 121.14 2h6r s ALA 193 Ca 0.00 0.67 0.11 0.00 0.00 0.00 0.00 51.96 52.74 2h6r s ALA 193 Cb 0.00 -3.27 0.25 0.00 0.00 0.00 0.00 23.12 20.10 2h6r s ALA 193 CO 0.00 -0.29 1.18 0.39 0.00 0.00 0.00 175.76 177.04 2h6r n GLU 194 N -0.57 2.49 -3.64 0.00 1.02 -0.14 -4.46 120.64 115.34 2h6r n GLU 194 Ca 0.07 -2.18 0.04 0.00 -0.02 0.00 0.00 57.16 55.07 2h6r n GLU 194 Cb 0.51 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 2h6r n GLU 194 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2h6r s GLY 195 N -1.70 -0.45 -0.00 0.62 0.00 -1.24 -3.16 107.32 101.38 2h6r s GLY 195 Ca 0.22 0.82 0.01 0.00 0.00 0.00 0.00 44.72 45.76 2h6r s GLY 195 CO 0.06 1.34 -0.02 0.14 0.00 0.00 0.00 173.10 174.62 2h6r s VAL 196 N -2.03 0.15 -0.10 1.40 1.01 0.08 -2.05 120.40 118.85 2h6r s VAL 196 Ca 0.18 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.09 2h6r s VAL 196 Cb 0.06 -0.13 0.02 0.00 0.00 0.00 0.00 36.38 36.33 2h6r s VAL 196 CO -0.06 0.04 -0.13 -0.22 0.00 0.00 0.00 175.10 174.74 2h6r s LEU 197 N -0.02 1.59 0.25 3.92 0.20 -0.65 -0.78 118.68 123.18 2h6r s LEU 197 Ca 0.01 -0.38 -0.04 0.00 0.69 0.00 0.00 54.13 54.41 2h6r s LEU 197 Cb -0.01 -0.99 -0.02 0.00 -0.43 0.00 0.00 46.19 44.74 2h6r s LEU 197 CO -0.00 -0.02 0.30 -1.48 -0.29 0.00 0.00 176.35 174.87 2h6r s LEU 198 N 1.12 0.93 0.00 -0.68 0.05 -0.78 -4.20 118.68 115.12 2h6r s LEU 198 Ca -0.05 -1.30 0.00 0.00 0.05 0.00 0.00 54.13 52.84 2h6r s LEU 198 Cb -0.14 0.99 0.00 0.00 -2.05 0.00 0.00 46.19 44.99 2h6r s LEU 198 CO -0.03 -1.02 0.00 0.00 -0.55 0.00 0.00 176.35 174.75 2h6r n ALA 199 N -0.38 1.25 -0.25 1.48 0.00 -1.26 -0.08 120.51 121.26 2h6r n ALA 199 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.35 2h6r n ALA 199 Cb 0.64 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.00 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 -1.75 -1.11 0.00 4.64 -1.97 -1.75 113.55 111.62 2h6r h SER 200 Ca 0.00 0.25 0.34 0.00 -0.47 0.00 0.00 61.79 61.91 2h6r h SER 200 Cb 0.00 0.75 -0.06 0.00 -0.31 0.00 0.00 62.40 62.78 2h6r h SER 200 CO 0.00 -0.26 0.78 0.61 -0.87 0.00 0.00 176.83 177.08 2h6r n GLY 201 N -1.26 -0.59 0.10 -0.77 0.00 -1.26 -0.61 105.19 100.79 2h6r n GLY 201 Ca -0.00 0.45 -0.13 0.00 0.00 0.00 0.00 46.02 46.34 2h6r n GLY 201 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2h6r n VAL 202 N -3.45 1.14 -0.02 1.61 0.31 -0.71 -4.09 118.33 113.13 2h6r n VAL 202 Ca 0.27 -0.48 -0.04 0.00 -0.01 0.00 0.00 64.34 64.08 2h6r n VAL 202 Cb 1.17 -1.11 0.17 0.00 -0.91 0.00 0.00 33.84 33.16 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 1.27 0.27 2.52 2.07 -0.36 -3.32 116.25 118.70 2h6r h VAL 203 Ca -0.45 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 65.79 2h6r h VAL 203 Cb 1.74 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 2h6r h VAL 203 CO -0.06 0.41 -0.13 0.07 0.02 0.00 0.00 177.57 177.88 2h6r h LYS 204 N 0.50 -0.36 0.00 1.57 2.10 -1.10 -3.47 116.57 115.81 2h6r h LYS 204 Ca 0.07 0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 2h6r h LYS 204 Cb 0.67 0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.08 2h6r h LYS 204 CO 0.05 -0.24 0.00 0.00 -2.00 0.00 0.00 179.45 177.26 2h6r n ALA 205 N -2.49 -0.88 0.17 0.07 0.00 -1.25 -4.91 120.51 111.22 2h6r n ALA 205 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.33 2h6r n ALA 205 Cb 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.56 2h6r n ALA 205 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2h6r h LYS 206 N 0.00 -0.43 -4.93 0.00 1.57 -1.92 -3.35 116.57 107.51 2h6r h LYS 206 Ca 0.00 0.03 -0.70 0.00 -1.87 0.00 0.00 60.65 58.11 2h6r h LYS 206 Cb 0.00 0.10 -0.18 0.00 0.08 0.00 0.00 32.23 32.23 2h6r h LYS 206 CO 0.00 -0.29 0.91 1.21 -0.57 0.00 0.00 179.45 180.72 2h6r s ASN 207 N -3.36 6.72 0.48 0.86 3.84 -1.26 -4.85 114.94 117.38 2h6r s ASN 207 Ca -0.06 -2.26 0.16 0.00 0.21 0.00 0.00 52.86 50.90 2h6r s ASN 207 Cb 0.01 -2.39 1.16 0.00 -0.55 0.00 0.00 41.25 39.47 2h6r s ASN 207 CO 0.19 -0.98 2.06 0.58 -2.79 0.00 0.00 177.10 176.16 2h6r h VAL 208 N 5.56 0.94 -0.52 -5.21 2.07 -1.86 -1.90 116.25 115.32 2h6r h VAL 208 Ca 0.19 -0.07 -0.08 0.00 0.82 0.00 0.00 66.70 67.55 2h6r h VAL 208 Cb 0.99 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 2h6r h VAL 208 CO 1.12 0.04 -0.00 -0.08 0.02 0.00 0.00 177.57 178.67 2h6r h GLU 209 N 0.20 0.92 0.00 1.57 4.81 -1.93 -2.78 114.58 117.37 2h6r h GLU 209 Ca 0.15 -0.29 -0.08 0.00 -0.13 0.00 0.00 59.36 59.01 2h6r h GLU 209 Cb 0.32 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 2h6r h GLU 209 CO -0.03 0.94 -0.37 0.93 -0.73 0.00 0.00 179.01 179.76 2h6r h GLU 210 N 0.79 0.00 -0.31 1.92 3.07 -1.81 -2.66 114.58 115.57 2h6r h GLU 210 Ca 0.15 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.89 2h6r h GLU 210 Cb 0.53 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 2h6r h GLU 210 CO 0.03 0.37 -0.28 0.00 -1.40 0.00 0.00 179.01 177.72 2h6r h ALA 211 N 1.63 0.92 0.06 3.43 0.00 -1.16 -1.54 119.26 122.60 2h6r h ALA 211 Ca -0.00 -0.38 -0.24 0.00 0.00 0.00 0.00 54.91 54.28 2h6r h ALA 211 Cb 1.06 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 2h6r h ALA 211 CO 0.05 0.62 -1.06 0.82 0.00 0.00 0.00 179.25 179.67 2h6r h ILE 212 N 0.56 1.48 0.00 0.00 2.04 -1.44 -3.12 117.51 117.03 2h6r h ILE 212 Ca 0.07 -2.80 -0.06 0.00 1.00 0.00 0.00 64.86 63.08 2h6r h ILE 212 Cb 0.77 2.68 -0.01 0.00 -0.74 0.00 0.00 36.82 39.52 2h6r h ILE 212 CO 0.06 0.82 -0.26 0.03 0.00 0.00 0.00 178.15 178.80 2h6r h ARG 213 N 0.13 0.00 -0.26 2.37 3.08 -1.36 -2.49 114.38 115.84 2h6r h ARG 213 Ca -0.09 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.79 2h6r h ARG 213 Cb 1.74 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.79 2h6r h ARG 213 CO 0.17 0.26 -0.50 1.49 -1.07 0.00 0.00 179.97 180.32 2h6r h GLU 214 N 0.00 0.72 0.25 0.04 4.57 -1.27 -3.33 114.58 115.57 2h6r h GLU 214 Ca -0.00 -0.43 -0.01 0.00 -1.18 0.00 0.00 59.36 57.73 2h6r h GLU 214 Cb 0.79 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.43 2h6r h GLU 214 CO 0.03 1.06 -0.12 -0.07 -1.18 0.00 0.00 179.01 178.73 2h6r h LEU 215 N 0.57 -0.29 -8.05 1.64 3.38 -1.43 -1.97 115.31 109.17 2h6r h LEU 215 Ca 0.02 -0.21 -0.50 0.00 0.09 0.00 0.00 57.88 57.28 2h6r h LEU 215 Cb 1.07 0.07 0.21 0.00 0.09 0.00 0.00 40.66 42.10 2h6r h LEU 215 CO 0.11 0.21 -1.57 2.30 0.09 0.00 0.00 178.44 179.57 2h6r n ILE 216 N -5.01 0.00 0.00 1.22 -5.35 -0.97 -4.38 119.36 104.88 2h6r n ILE 216 Ca -0.07 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 61.96 2h6r n ILE 216 Cb 0.24 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.14 2h6r n ILE 216 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 2h6r n LYS 217 N 2.10 0.00 -0.31 6.28 0.00 -1.26 -4.94 118.16 120.03 2h6r n LYS 217 Ca -0.00 0.11 0.00 0.00 0.00 0.00 0.00 58.31 58.41 2h6r n LYS 217 Cb 0.49 -0.54 0.00 0.00 0.00 0.00 0.00 35.03 34.98 2h6r n LYS 217 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74