#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmq n ARG 12 N 0.00 0.00 -1.98 1.97 0.63 -1.26 -5.13 116.66 110.89 1xmq n ARG 12 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1xmq n ARG 12 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1xmq n ARG 12 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1xmq n GLN 13 N 0.00 -1.13 0.00 -0.14 1.13 -1.19 -5.00 117.38 111.05 1xmq n GLN 13 Ca 0.00 0.82 0.00 0.00 -1.94 0.00 0.00 57.00 55.88 1xmq n GLN 13 Cb 0.00 -1.38 0.00 0.00 0.11 0.00 0.00 30.24 28.97 1xmq n GLN 13 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1xmq n VAL 14 N 1.89 0.00 0.00 5.09 0.31 -0.97 -5.04 118.33 119.61 1xmq n VAL 14 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1xmq n VAL 14 Cb 0.00 0.20 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 1xmq n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xmq n ALA 15 N -1.06 0.00 -2.66 3.52 0.00 -1.18 -4.67 120.51 114.46 1xmq n ALA 15 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1xmq n ALA 15 Cb 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.41 1xmq n ALA 15 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1xmq s SER 16 N -4.00 4.84 0.00 0.00 1.04 -1.26 0.20 113.70 114.52 1xmq s SER 16 Ca 0.00 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.17 1xmq s SER 16 Cb 0.00 -1.08 0.00 0.00 0.10 0.00 0.00 66.02 65.04 1xmq s SER 16 CO 0.00 0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.99 1xmq n GLY 17 N 0.48 2.04 3.30 7.32 0.00 -0.84 -4.17 105.19 113.32 1xmq n GLY 17 Ca -0.11 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 1xmq n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xmq s ARG 18 N 1.68 2.11 -0.23 1.61 0.52 0.03 -1.26 118.95 123.41 1xmq s ARG 18 Ca 0.00 -0.92 -0.02 0.00 -0.52 0.00 0.00 55.73 54.27 1xmq s ARG 18 Cb 0.00 -2.03 0.01 0.00 0.52 0.00 0.00 34.95 33.46 1xmq s ARG 18 CO 0.00 0.54 -0.08 0.00 0.02 0.00 0.00 175.30 175.79 1xmq s ALA 19 N -0.58 2.67 -0.21 2.13 0.00 -0.92 0.18 121.76 125.03 1xmq s ALA 19 Ca 0.09 -1.31 -0.08 0.00 0.00 0.00 0.00 51.96 50.66 1xmq s ALA 19 Cb -0.10 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.38 1xmq s ALA 19 CO -0.01 -0.59 0.08 0.71 0.00 0.00 0.00 175.76 175.95 1xmq s TYR 20 N 1.37 3.22 -0.17 0.00 1.51 0.46 -0.86 117.35 122.88 1xmq s TYR 20 Ca 0.03 -0.00 -0.03 0.00 -1.01 0.00 0.00 57.07 56.06 1xmq s TYR 20 Cb -0.15 -2.15 -0.02 0.00 -0.11 0.00 0.00 41.96 39.53 1xmq s TYR 20 CO -0.06 0.02 -0.06 0.42 -1.11 0.00 0.00 175.55 174.77 1xmq s ILE 21 N 0.78 3.56 -0.74 2.71 1.01 -0.79 -1.04 121.20 126.69 1xmq s ILE 21 Ca 0.04 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.24 1xmq s ILE 21 Cb -0.13 -2.57 0.18 0.00 0.01 0.00 0.00 42.46 39.95 1xmq s ILE 21 CO 0.02 0.47 0.56 -2.28 0.00 0.00 0.00 174.94 173.72 1xmq s HIS 22 N 0.75 3.62 0.39 3.97 5.65 -0.46 -1.35 115.29 127.86 1xmq s HIS 22 Ca -0.02 -3.10 -0.23 0.00 0.25 0.00 0.00 55.06 51.96 1xmq s HIS 22 Cb -0.15 -3.01 -0.10 0.00 -1.18 0.00 0.00 32.58 28.14 1xmq s HIS 22 CO 0.02 -0.69 0.98 0.00 -0.65 0.00 0.00 174.74 174.39 1xmq s ALA 23 N -1.04 3.10 0.24 1.58 0.00 -0.47 -2.73 121.76 122.43 1xmq s ALA 23 Ca 0.23 0.53 -0.22 0.00 0.00 0.00 0.00 51.96 52.50 1xmq s ALA 23 Cb -0.11 -3.20 0.03 0.00 0.00 0.00 0.00 23.12 19.85 1xmq s ALA 23 CO -0.11 0.04 0.76 -1.54 0.00 0.00 0.00 175.76 174.91 1xmq s SER 24 N -1.83 -0.27 0.56 0.00 1.04 -0.78 -4.21 113.70 108.22 1xmq s SER 24 Ca 0.57 -0.51 0.35 0.00 0.48 0.00 0.00 55.95 56.84 1xmq s SER 24 Cb -0.16 0.66 1.51 0.00 0.10 0.00 0.00 66.02 68.13 1xmq s SER 24 CO 0.21 -1.22 2.04 1.88 0.98 0.00 0.00 173.24 177.13 1xmq h TYR 25 N 2.00 0.00 0.00 5.02 -1.99 -1.90 -3.18 116.97 116.92 1xmq h TYR 25 Ca -0.21 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.52 1xmq h TYR 25 Cb 1.25 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.98 1xmq h TYR 25 CO 0.40 0.01 -0.83 0.09 -0.00 0.00 0.00 178.16 177.83 1xmq n ASN 26 N -3.11 0.80 -3.57 3.88 3.02 -1.26 -4.72 115.26 110.30 1xmq n ASN 26 Ca 0.00 -0.74 0.04 0.00 -0.03 0.00 0.00 54.58 53.85 1xmq n ASN 26 Cb 0.28 1.09 -0.00 0.00 -0.61 0.00 0.00 39.78 40.53 1xmq n ASN 26 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1xmq s ASN 27 N -2.57 -0.01 -0.04 6.41 2.47 -1.20 -3.27 114.94 116.73 1xmq s ASN 27 Ca 0.04 -0.02 0.01 0.00 0.42 0.00 0.00 52.86 53.32 1xmq s ASN 27 Cb 0.11 0.02 0.02 0.00 -1.45 0.00 0.00 41.25 39.95 1xmq s ASN 27 CO 0.61 -0.04 -0.05 -0.89 -3.72 0.00 0.00 177.10 173.00 1xmq s THR 28 N -2.06 0.57 -0.03 -5.21 2.01 -1.25 -1.86 115.64 107.80 1xmq s THR 28 Ca 0.15 -0.18 0.03 0.00 0.31 0.00 0.00 61.69 62.01 1xmq s THR 28 Cb 0.07 -0.56 -0.00 0.00 0.01 0.00 0.00 72.50 72.02 1xmq s THR 28 CO -0.06 0.22 -0.12 0.27 -0.69 0.00 0.00 174.62 174.23 1xmq s ILE 29 N 0.67 1.04 -0.06 1.82 -5.25 -1.11 -2.25 121.20 116.07 1xmq s ILE 29 Ca -0.09 -0.51 0.04 0.00 -0.99 0.00 0.00 60.65 59.10 1xmq s ILE 29 Cb -0.12 -0.91 -0.02 0.00 2.95 0.00 0.00 42.46 44.36 1xmq s ILE 29 CO 0.00 0.31 -0.16 -0.69 -1.79 0.00 0.00 174.94 172.61 1xmq s VAL 30 N 0.09 2.89 -0.14 8.37 1.01 -0.28 -1.36 120.40 130.98 1xmq s VAL 30 Ca -0.03 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 1xmq s VAL 30 Cb -0.09 -2.13 0.04 0.00 0.00 0.00 0.00 36.38 34.20 1xmq s VAL 30 CO 0.01 0.58 -0.05 -0.89 0.00 0.00 0.00 175.10 174.75 1xmq s THR 31 N -0.55 0.97 -0.16 3.92 2.01 -0.21 -1.34 115.64 120.29 1xmq s THR 31 Ca 0.08 -0.44 -0.14 0.00 0.31 0.00 0.00 61.69 61.49 1xmq s THR 31 Cb -0.11 -1.12 -0.05 0.00 0.01 0.00 0.00 72.50 71.24 1xmq s THR 31 CO 0.01 0.20 0.31 -0.63 -0.69 0.00 0.00 174.62 173.82 1xmq s ILE 32 N 1.71 5.29 0.29 1.82 -1.09 0.26 -0.41 121.20 129.07 1xmq s ILE 32 Ca 0.02 0.58 0.03 0.00 -2.23 0.00 0.00 60.65 59.05 1xmq s ILE 32 Cb -0.14 -3.65 -0.06 0.00 -1.58 0.00 0.00 42.46 37.03 1xmq s ILE 32 CO -0.08 0.37 0.06 0.42 -1.23 0.00 0.00 174.94 174.48 1xmq s THR 33 N 0.58 1.00 0.92 2.92 -4.23 0.13 0.87 115.64 117.83 1xmq s THR 33 Ca 0.17 -2.01 -0.13 0.00 -1.18 0.00 0.00 61.69 58.54 1xmq s THR 33 Cb -0.13 -2.67 0.15 0.00 1.34 0.00 0.00 72.50 71.19 1xmq s THR 33 CO 0.05 -0.06 1.18 1.51 -0.54 0.00 0.00 174.62 176.75 1xmq s ASP 34 N -3.41 3.48 0.66 3.99 -4.77 0.14 -0.79 116.67 115.96 1xmq s ASP 34 Ca 0.35 0.77 0.21 0.00 -3.30 0.00 0.00 52.55 50.59 1xmq s ASP 34 Cb 0.08 -1.21 1.15 0.00 -1.09 0.00 0.00 42.92 41.85 1xmq s ASP 34 CO 0.14 -2.55 1.64 -0.65 0.70 0.00 0.00 175.17 174.45 1xmq h PRO 35 N -1.50 0.00 -0.31 2.11 0.11 -1.90 -1.07 132.00 129.44 1xmq h PRO 35 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1xmq h PRO 35 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1xmq h PRO 35 CO 0.57 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.96 1xmq n ASP 36 N -2.86 3.89 0.00 -2.05 3.85 -1.26 -4.95 116.55 113.17 1xmq n ASP 36 Ca 0.00 -2.80 0.00 0.00 -0.71 0.00 0.00 54.79 51.28 1xmq n ASP 36 Cb 0.61 -0.50 0.00 0.00 -1.35 0.00 0.00 41.12 39.88 1xmq n ASP 36 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1xmq n GLY 37 N -0.17 2.64 3.67 6.12 0.00 -0.40 -5.06 105.19 111.99 1xmq n GLY 37 Ca 0.20 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1xmq n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xmq n ASN 38 N 0.18 4.04 -4.75 1.61 5.03 -1.26 -4.59 115.26 115.52 1xmq n ASN 38 Ca 0.00 0.94 -0.41 0.00 0.87 0.00 0.00 54.58 55.98 1xmq n ASN 38 Cb 0.00 -1.52 -0.02 0.00 -1.02 0.00 0.00 39.78 37.23 1xmq n ASN 38 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1xmq s PRO 39 N 3.78 4.21 -0.21 3.52 0.04 -1.26 0.24 135.00 145.33 1xmq s PRO 39 Ca 0.87 2.41 -0.11 0.00 0.04 0.00 0.00 61.00 64.21 1xmq s PRO 39 Cb -0.48 -3.07 -0.19 0.00 0.04 0.00 0.00 34.50 30.80 1xmq s PRO 39 CO 0.41 -0.49 0.02 -0.89 0.04 0.00 0.00 177.00 176.10 1xmq n ILE 40 N 2.09 1.59 -3.66 0.56 5.41 0.25 -4.82 119.36 120.79 1xmq n ILE 40 Ca 0.07 -0.40 -0.09 0.00 1.00 0.00 0.00 62.75 63.32 1xmq n ILE 40 Cb 0.39 -1.78 -0.02 0.00 -0.71 0.00 0.00 39.64 37.52 1xmq n ILE 40 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1xmq s THR 41 N -2.49 0.00 0.02 1.39 -4.23 -0.94 -5.04 115.64 104.36 1xmq s THR 41 Ca -0.31 -0.52 -0.22 0.00 -1.18 0.00 0.00 61.69 59.46 1xmq s THR 41 Cb 0.09 -1.54 0.05 0.00 1.34 0.00 0.00 72.50 72.44 1xmq s THR 41 CO 0.62 0.00 0.50 -1.66 -0.54 0.00 0.00 174.62 173.54 1xmq s TRP 42 N -3.79 -0.41 0.33 3.99 1.48 -1.26 -0.57 118.94 118.71 1xmq s TRP 42 Ca 0.07 0.53 0.06 0.00 -1.06 0.00 0.00 56.10 55.69 1xmq s TRP 42 Cb -0.03 0.30 -0.03 0.00 -1.16 0.00 0.00 33.47 32.54 1xmq s TRP 42 CO -0.02 -0.59 0.23 0.45 -4.06 0.00 0.00 176.95 172.96 1xmq s SER 43 N -1.73 1.71 -0.15 -2.66 0.15 -0.45 -4.90 113.70 105.66 1xmq s SER 43 Ca -0.08 -1.70 -0.34 0.00 0.70 0.00 0.00 55.95 54.53 1xmq s SER 43 Cb -0.01 0.53 0.15 0.00 -1.71 0.00 0.00 66.02 64.97 1xmq s SER 43 CO 0.01 -1.01 1.38 -0.94 1.20 0.00 0.00 173.24 173.88 1xmq s SER 44 N -3.39 -0.03 0.48 5.45 1.04 -1.26 -1.13 113.70 114.87 1xmq s SER 44 Ca 0.38 -0.02 0.27 0.00 0.48 0.00 0.00 55.95 57.05 1xmq s SER 44 Cb 0.03 0.05 1.34 0.00 0.10 0.00 0.00 66.02 67.53 1xmq s SER 44 CO 0.24 -0.08 1.83 1.23 0.98 0.00 0.00 173.24 177.44 1xmq h GLY 45 N 2.00 0.45 1.23 7.32 0.00 -1.70 0.18 103.07 112.54 1xmq h GLY 45 Ca -0.21 -0.08 -0.29 0.00 0.00 0.00 0.00 47.33 46.74 1xmq h GLY 45 CO 0.25 -0.04 -1.20 -1.33 0.00 0.00 0.00 176.54 174.22 1xmq h GLY 46 N 0.17 0.73 0.46 4.60 0.00 -1.82 -3.22 103.07 103.98 1xmq h GLY 46 Ca 0.51 -1.46 0.00 0.00 0.00 0.00 0.00 47.33 46.38 1xmq h GLY 46 CO -0.11 1.29 0.00 -0.62 0.00 0.00 0.00 176.54 177.10 1xmq n VAL 47 N -3.81 0.00 -3.25 4.60 0.31 0.63 -3.46 118.33 113.36 1xmq n VAL 47 Ca -0.13 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.01 1xmq n VAL 47 Cb 0.96 -0.74 -0.07 0.00 -0.91 0.00 0.00 33.84 33.09 1xmq n VAL 47 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1xmq s ILE 48 N -1.94 -0.18 0.00 2.52 1.01 -1.21 -4.87 121.20 116.54 1xmq s ILE 48 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 60.65 58.92 1xmq s ILE 48 Cb 0.00 -0.79 0.00 0.00 0.01 0.00 0.00 42.46 41.68 1xmq s ILE 48 CO 0.00 -0.75 0.00 0.61 0.00 0.00 0.00 174.94 174.80 1xmq n GLY 49 N 3.35 2.34 0.00 6.18 0.00 -1.22 -4.85 105.19 110.99 1xmq n GLY 49 Ca 0.21 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.60 1xmq n GLY 49 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xmq n TYR 50 N 5.59 0.00 -0.13 1.61 0.53 -1.26 -4.63 117.16 118.87 1xmq n TYR 50 Ca 0.00 0.00 -0.28 0.00 -1.02 0.00 0.00 57.90 56.60 1xmq n TYR 50 Cb 0.00 0.00 -0.10 0.00 -1.03 0.00 0.00 39.34 38.21 1xmq n TYR 50 CO 0.00 0.00 0.00 1.17 -1.02 0.00 0.00 176.86 177.01 1xmq n LYS 51 N 0.89 0.59 0.00 -0.72 0.00 -1.26 -4.02 118.16 113.64 1xmq n LYS 51 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 58.31 58.64 1xmq n LYS 51 Cb 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 35.03 33.48 1xmq n LYS 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1xmq n GLY 52 N 1.34 0.47 0.36 3.14 0.00 -1.26 -4.79 105.19 104.44 1xmq n GLY 52 Ca -0.49 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.61 1xmq n GLY 52 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1xmq h SER 53 N 0.00 0.61 -0.79 1.61 0.87 -1.96 -2.93 113.55 110.97 1xmq h SER 53 Ca 0.00 0.01 0.19 0.00 -1.23 0.00 0.00 61.79 60.76 1xmq h SER 53 Cb 0.00 -0.12 -0.13 0.00 -0.44 0.00 0.00 62.40 61.71 1xmq h SER 53 CO 0.00 0.38 0.10 0.03 -0.53 0.00 0.00 176.83 176.81 1xmq h ARG 54 N 0.69 0.15 -0.77 2.24 2.47 -1.92 -1.34 114.38 115.90 1xmq h ARG 54 Ca 0.33 -0.01 0.22 0.00 -1.26 0.00 0.00 59.98 59.26 1xmq h ARG 54 Cb 0.38 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.63 1xmq h ARG 54 CO -0.11 0.10 0.61 0.87 0.56 0.00 0.00 179.97 181.99 1xmq h LYS 55 N 0.16 0.00 -0.14 0.04 1.57 -1.74 -1.71 116.57 114.74 1xmq h LYS 55 Ca 0.46 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 59.02 1xmq h LYS 55 Cb 0.84 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.16 1xmq h LYS 55 CO -0.64 0.00 -0.77 0.78 -0.57 0.00 0.00 179.45 178.25 1xmq h GLY 56 N 0.00 0.81 -4.41 3.86 0.00 -1.22 -3.34 103.07 98.78 1xmq h GLY 56 Ca 0.37 -1.15 -0.63 0.00 0.00 0.00 0.00 47.33 45.92 1xmq h GLY 56 CO -0.00 1.02 -0.57 -0.37 0.00 0.00 0.00 176.54 176.62 1xmq n THR 57 N -3.92 1.49 -0.31 4.70 5.66 -0.64 -4.44 114.28 116.82 1xmq n THR 57 Ca -0.07 -0.50 -0.01 0.00 -3.05 0.00 0.00 64.05 60.42 1xmq n THR 57 Cb 0.74 -0.26 0.16 0.00 -1.55 0.00 0.00 70.33 69.42 1xmq n THR 57 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 1xmq h PRO 58 N 0.81 1.20 -0.44 1.09 0.13 -1.90 -2.54 132.00 130.34 1xmq h PRO 58 Ca -0.36 -0.08 0.09 0.00 -0.87 0.00 0.00 66.00 64.78 1xmq h PRO 58 Cb 1.42 -0.27 -0.09 0.00 0.13 0.00 0.00 31.00 32.19 1xmq h PRO 58 CO 0.52 0.80 -0.22 -0.92 -0.23 0.00 0.00 178.00 177.96 1xmq h TYR 59 N 1.23 -0.55 -0.86 1.56 3.20 -1.93 0.55 116.97 120.16 1xmq h TYR 59 Ca 0.33 0.05 0.17 0.00 3.14 0.00 0.00 58.73 62.41 1xmq h TYR 59 Cb -0.12 0.31 -0.06 0.00 1.54 0.00 0.00 36.73 38.39 1xmq h TYR 59 CO 0.00 -0.30 0.56 0.00 -1.64 0.00 0.00 178.16 176.79 1xmq h ALA 60 N 1.15 2.02 -0.02 1.82 0.00 -1.73 0.30 119.26 122.80 1xmq h ALA 60 Ca 0.21 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1xmq h ALA 60 Cb 0.45 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1xmq h ALA 60 CO -0.52 -0.27 0.01 0.00 0.00 0.00 0.00 179.25 178.47 1xmq h ALA 61 N 1.62 0.02 0.00 0.00 0.00 0.18 0.98 119.26 122.06 1xmq h ALA 61 Ca 0.44 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.34 1xmq h ALA 61 Cb 0.91 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 1xmq h ALA 61 CO -0.18 -0.44 -0.41 0.37 0.00 0.00 0.00 179.25 178.59 1xmq h GLN 62 N -0.05 -0.54 0.20 0.00 4.15 0.10 0.33 115.11 119.31 1xmq h GLN 62 Ca 0.01 0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.48 1xmq h GLN 62 Cb 0.07 0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.85 1xmq h GLN 62 CO -0.00 -0.36 -0.39 -0.07 -1.93 0.00 0.00 178.83 176.08 1xmq h LEU 63 N -0.56 -1.12 -0.81 -2.39 3.38 -0.85 0.16 115.31 113.12 1xmq h LEU 63 Ca 0.05 0.12 0.17 0.00 0.09 0.00 0.00 57.88 58.30 1xmq h LEU 63 Cb 0.64 0.41 -0.11 0.00 0.09 0.00 0.00 40.66 41.70 1xmq h LEU 63 CO -0.31 -0.49 0.34 0.00 0.09 0.00 0.00 178.44 178.07 1xmq h ALA 64 N -0.18 1.20 -0.15 1.53 0.00 -0.43 0.37 119.26 121.61 1xmq h ALA 64 Ca 0.01 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1xmq h ALA 64 Cb 0.67 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1xmq h ALA 64 CO -0.18 -0.24 0.06 0.00 0.00 0.00 0.00 179.25 178.89 1xmq h ALA 65 N 1.61 0.19 -0.06 0.00 0.00 0.36 -0.31 119.26 121.05 1xmq h ALA 65 Ca 0.47 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1xmq h ALA 65 Cb 0.77 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1xmq h ALA 65 CO -0.45 -0.22 0.03 -0.07 0.00 0.00 0.00 179.25 178.54 1xmq h LEU 66 N 0.08 0.05 -1.06 0.00 3.38 0.92 0.95 115.31 119.64 1xmq h LEU 66 Ca 0.05 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.15 1xmq h LEU 66 Cb 0.17 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.83 1xmq h LEU 66 CO -0.00 0.04 0.62 -0.78 0.09 0.00 0.00 178.44 178.41 1xmq h ASP 67 N 0.07 0.88 -0.15 -0.43 -0.00 -0.20 0.90 116.42 117.48 1xmq h ASP 67 Ca 0.02 0.05 -0.00 0.00 -0.00 0.00 0.00 57.03 57.10 1xmq h ASP 67 Cb -0.00 -0.13 -0.01 0.00 -0.00 0.00 0.00 39.33 39.20 1xmq h ASP 67 CO -0.01 0.46 0.08 0.00 -0.00 0.00 0.00 179.24 179.76 1xmq h ALA 68 N 1.56 0.20 0.20 -0.78 0.00 -0.13 -2.31 119.26 117.99 1xmq h ALA 68 Ca 0.49 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 1xmq h ALA 68 Cb 0.55 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1xmq h ALA 68 CO -0.26 -0.27 -0.34 0.00 0.00 0.00 0.00 179.25 178.38 1xmq h ALA 69 N 0.97 -0.93 -0.23 0.00 0.00 0.15 -1.55 119.26 117.68 1xmq h ALA 69 Ca 0.05 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1xmq h ALA 69 Cb 0.08 0.66 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1xmq h ALA 69 CO -0.01 -0.98 -0.34 0.87 0.00 0.00 0.00 179.25 178.79 1xmq h LYS 70 N -0.57 -0.25 -1.17 0.00 1.57 -1.14 0.84 116.57 115.84 1xmq h LYS 70 Ca -0.02 0.02 0.34 0.00 -1.87 0.00 0.00 60.65 59.11 1xmq h LYS 70 Cb 0.53 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.85 1xmq h LYS 70 CO -0.12 -0.17 0.91 0.87 -0.57 0.00 0.00 179.45 180.37 1xmq h LYS 71 N -0.26 0.00 0.20 3.15 1.57 -1.39 0.83 116.57 120.67 1xmq h LYS 71 Ca 0.04 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.52 1xmq h LYS 71 Cb 0.37 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.71 1xmq h LYS 71 CO -0.35 0.00 -1.38 0.00 -0.57 0.00 0.00 179.45 177.15 1xmq h ALA 72 N 1.29 -0.06 -0.94 3.86 0.00 0.71 -3.29 119.26 120.83 1xmq h ALA 72 Ca 0.56 -0.90 0.19 0.00 0.00 0.00 0.00 54.91 54.76 1xmq h ALA 72 Cb 2.36 0.24 -0.11 0.00 0.00 0.00 0.00 17.79 20.29 1xmq h ALA 72 CO -0.01 0.69 0.53 0.52 0.00 0.00 0.00 179.25 180.98 1xmq h MET 73 N -0.02 0.64 -0.14 0.00 2.86 0.72 -1.84 114.93 117.14 1xmq h MET 73 Ca -0.25 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.38 1xmq h MET 73 Cb 2.00 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 33.46 1xmq h MET 73 CO 0.21 0.42 -0.45 0.00 1.06 0.00 0.00 176.91 178.15 1xmq h ALA 74 N 1.64 -0.80 0.00 6.32 0.00 -1.31 0.67 119.26 125.78 1xmq h ALA 74 Ca 0.55 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1xmq h ALA 74 Cb 0.88 0.95 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1xmq h ALA 74 CO -0.41 -0.97 0.05 0.66 0.00 0.00 0.00 179.25 178.59 1xmq n TYR 75 N -4.91 0.00 -0.24 0.00 4.02 -0.72 -4.73 117.16 110.58 1xmq n TYR 75 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.84 1xmq n TYR 75 Cb 0.31 -0.21 0.00 0.00 -0.02 0.00 0.00 39.34 39.41 1xmq n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xmq n GLY 76 N -1.17 0.86 3.65 2.72 0.00 0.23 -2.28 105.19 109.21 1xmq n GLY 76 Ca 0.00 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 1xmq n GLY 76 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xmq n MET 77 N -2.24 0.49 0.00 1.61 2.81 -1.06 -3.10 117.12 115.64 1xmq n MET 77 Ca 0.00 0.23 0.00 0.00 -1.81 0.00 0.00 57.70 56.12 1xmq n MET 77 Cb 0.00 -2.33 0.00 0.00 -0.71 0.00 0.00 33.22 30.18 1xmq n MET 77 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1xmq n GLN 78 N -2.28 0.00 -4.27 0.03 6.02 0.54 -4.68 117.38 112.74 1xmq n GLN 78 Ca 0.14 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.91 1xmq n GLN 78 Cb 0.50 -0.22 -0.12 0.00 1.02 0.00 0.00 30.24 31.42 1xmq n GLN 78 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1xmq s SER 79 N -3.48 2.31 -0.03 1.08 0.15 -1.18 0.12 113.70 112.68 1xmq s SER 79 Ca 0.00 -0.75 -0.22 0.00 0.70 0.00 0.00 55.95 55.68 1xmq s SER 79 Cb 0.00 -0.11 0.04 0.00 -1.71 0.00 0.00 66.02 64.24 1xmq s SER 79 CO 0.00 -0.04 0.48 0.68 1.20 0.00 0.00 173.24 175.56 1xmq s VAL 80 N -1.64 0.03 -0.32 4.45 -7.23 0.16 -1.99 120.40 113.86 1xmq s VAL 80 Ca 0.08 -0.26 -0.10 0.00 -1.81 0.00 0.00 61.98 59.88 1xmq s VAL 80 Cb -0.08 -0.80 -0.01 0.00 0.56 0.00 0.00 36.38 36.05 1xmq s VAL 80 CO 0.04 -0.14 0.17 -1.81 -0.31 0.00 0.00 175.10 173.05 1xmq s ASP 81 N -1.31 5.69 0.50 4.85 1.11 -0.39 -0.01 116.67 127.11 1xmq s ASP 81 Ca -0.12 -0.49 -0.18 0.00 0.18 0.00 0.00 52.55 51.94 1xmq s ASP 81 Cb -0.03 -2.04 -0.08 0.00 1.07 0.00 0.00 42.92 41.84 1xmq s ASP 81 CO 0.06 -0.20 1.00 -0.69 1.18 0.00 0.00 175.17 176.52 1xmq s VAL 82 N 1.64 4.21 -0.32 -1.27 1.01 -0.68 -2.17 120.40 122.81 1xmq s VAL 82 Ca 0.05 1.21 -0.00 0.00 0.00 0.00 0.00 61.98 63.24 1xmq s VAL 82 Cb -0.17 -3.57 0.13 0.00 0.00 0.00 0.00 36.38 32.77 1xmq s VAL 82 CO 0.07 -0.45 0.25 -0.63 0.00 0.00 0.00 175.10 174.34 1xmq s ILE 83 N -2.33 -0.16 0.43 2.22 1.01 -0.04 -2.36 121.20 119.97 1xmq s ILE 83 Ca 0.62 -0.99 -0.22 0.00 0.00 0.00 0.00 60.65 60.06 1xmq s ILE 83 Cb -0.12 -0.95 -0.10 0.00 0.01 0.00 0.00 42.46 41.30 1xmq s ILE 83 CO 0.25 -0.70 0.99 0.68 0.00 0.00 0.00 174.94 176.15 1xmq s VAL 84 N 1.75 4.11 -0.21 2.92 -7.23 -0.11 -1.89 120.40 119.75 1xmq s VAL 84 Ca 0.13 1.41 -0.09 0.00 -1.81 0.00 0.00 61.98 61.62 1xmq s VAL 84 Cb -0.17 -3.62 0.08 0.00 0.56 0.00 0.00 36.38 33.23 1xmq s VAL 84 CO -0.18 -0.20 0.46 -0.13 -0.31 0.00 0.00 175.10 174.74 1xmq s ARG 85 N -2.96 0.39 0.00 4.82 0.52 -0.45 -0.50 118.95 120.77 1xmq s ARG 85 Ca 0.61 1.02 0.00 0.00 -0.52 0.00 0.00 55.73 56.85 1xmq s ARG 85 Cb -0.14 0.27 0.00 0.00 0.52 0.00 0.00 34.95 35.60 1xmq s ARG 85 CO 0.18 -0.21 0.00 0.41 0.02 0.00 0.00 175.30 175.70 1xmq n GLY 86 N 5.00 2.39 2.73 -3.53 0.00 -1.26 -1.37 105.19 109.15 1xmq n GLY 86 Ca -0.14 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 1xmq n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xmq n THR 87 N 2.03 5.59 -3.52 2.61 -1.04 -1.26 -4.56 114.28 114.14 1xmq n THR 87 Ca 0.00 -5.54 -0.03 0.00 -2.04 0.00 0.00 64.05 56.44 1xmq n THR 87 Cb 0.00 -1.86 0.00 0.00 -1.82 0.00 0.00 70.33 66.65 1xmq n THR 87 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xmq n GLY 88 N 0.90 2.96 3.96 3.41 0.00 -1.26 -4.88 105.19 110.28 1xmq n GLY 88 Ca 0.43 -2.18 -0.23 0.00 0.00 0.00 0.00 46.02 44.03 1xmq n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xmq s ALA 89 N -2.10 3.56 0.00 4.61 0.00 -1.24 -4.08 121.76 122.52 1xmq s ALA 89 Ca 0.04 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 50.70 1xmq s ALA 89 Cb -0.00 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 20.87 1xmq s ALA 89 CO 0.03 -1.16 0.00 0.41 0.00 0.00 0.00 175.76 175.04 1xmq n GLY 90 N -2.69 1.90 0.18 0.00 0.00 -1.26 -4.27 105.19 99.05 1xmq n GLY 90 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.07 1xmq n GLY 90 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1xmq h ARG 91 N 0.85 -0.04 -0.51 1.61 2.43 -1.94 -0.89 114.38 115.89 1xmq h ARG 91 Ca 0.00 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.05 1xmq h ARG 91 Cb 0.00 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 1xmq h ARG 91 CO 0.00 -0.03 -0.14 0.93 -1.51 0.00 0.00 179.97 179.22 1xmq h GLU 92 N -0.04 0.99 -0.29 0.20 3.07 -1.88 -2.52 114.58 114.11 1xmq h GLU 92 Ca 0.18 -0.39 -0.01 0.00 -0.50 0.00 0.00 59.36 58.64 1xmq h GLU 92 Cb 0.31 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 1xmq h GLU 92 CO -0.40 1.07 0.15 1.96 -1.40 0.00 0.00 179.01 180.39 1xmq h GLN 93 N 0.85 0.40 -0.27 2.33 1.08 -1.77 0.96 115.11 118.69 1xmq h GLN 93 Ca 0.13 -0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 57.17 1xmq h GLN 93 Cb 0.71 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 28.06 1xmq h GLN 93 CO 0.05 0.30 -0.30 0.00 -0.95 0.00 0.00 178.83 177.94 1xmq h ALA 94 N 1.77 0.41 -0.13 3.87 0.00 -0.98 0.18 119.26 124.37 1xmq h ALA 94 Ca 0.11 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1xmq h ALA 94 Cb 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1xmq h ALA 94 CO -0.02 0.43 0.05 0.82 0.00 0.00 0.00 179.25 180.53 1xmq h ILE 95 N 0.42 1.16 0.00 0.00 2.04 -0.89 -1.46 117.51 118.79 1xmq h ILE 95 Ca 0.04 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 1xmq h ILE 95 Cb 0.88 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 38.19 1xmq h ILE 95 CO 0.07 0.14 -0.11 0.03 0.00 0.00 0.00 178.15 178.29 1xmq h ARG 96 N 0.04 0.00 0.27 2.37 3.08 -0.80 -2.84 114.38 116.50 1xmq h ARG 96 Ca 0.04 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1xmq h ARG 96 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1xmq h ARG 96 CO -0.00 0.11 -0.13 0.00 -1.07 0.00 0.00 179.97 178.88 1xmq h ALA 97 N 1.89 -0.36 0.00 0.04 0.00 -0.07 -3.08 119.26 117.68 1xmq h ALA 97 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1xmq h ALA 97 Cb 0.47 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1xmq h ALA 97 CO 0.01 -0.43 0.13 -0.07 0.00 0.00 0.00 179.25 178.90 1xmq h LEU 98 N -0.92 0.00 0.00 0.00 3.38 -1.16 0.29 115.31 116.89 1xmq h LEU 98 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1xmq h LEU 98 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1xmq h LEU 98 CO 0.06 0.00 -0.38 1.56 0.09 0.00 0.00 178.44 179.78 1xmq h GLN 99 N 0.00 0.00 -0.01 1.13 4.20 -1.42 -3.28 115.11 115.72 1xmq h GLN 99 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1xmq h GLN 99 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1xmq h GLN 99 CO 0.00 0.00 -0.50 0.00 -0.67 0.00 0.00 178.83 177.66 1xmq n ALA 100 N -2.01 3.54 0.93 3.87 0.00 0.94 -4.49 120.51 123.29 1xmq n ALA 100 Ca 0.03 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1xmq n ALA 100 Cb 0.50 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.35 1xmq n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xmq n SER 101 N -0.53 0.62 0.00 0.00 3.41 -0.63 -4.78 113.62 111.71 1xmq n SER 101 Ca 0.06 -1.54 0.00 0.00 -0.26 0.00 0.00 58.87 57.12 1xmq n SER 101 Cb 0.33 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1xmq n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xmq n GLY 102 N 0.15 1.38 3.75 5.00 0.00 -1.26 -4.89 105.19 109.30 1xmq n GLY 102 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1xmq n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xmq s LEU 103 N 0.00 4.47 -0.29 0.99 0.20 -1.26 -4.97 118.68 117.81 1xmq s LEU 103 Ca 0.00 2.32 -0.24 0.00 0.69 0.00 0.00 54.13 56.90 1xmq s LEU 103 Cb 0.00 -3.62 -0.00 0.00 -0.43 0.00 0.00 46.19 42.14 1xmq s LEU 103 CO 0.00 -0.36 0.81 -1.58 -0.29 0.00 0.00 176.35 174.93 1xmq s GLN 104 N -0.69 4.02 -0.64 1.98 0.74 0.33 -4.63 119.66 120.76 1xmq s GLN 104 Ca 0.51 0.69 -0.26 0.00 0.05 0.00 0.00 55.36 56.35 1xmq s GLN 104 Cb -0.34 -3.71 0.04 0.00 1.10 0.00 0.00 33.01 30.10 1xmq s GLN 104 CO 0.40 -0.64 1.13 0.08 -0.55 0.00 0.00 175.29 175.70 1xmq s VAL 105 N 2.95 4.05 -0.14 1.34 1.01 -1.26 0.37 120.40 128.71 1xmq s VAL 105 Ca 0.33 0.39 0.30 0.00 0.00 0.00 0.00 61.98 63.00 1xmq s VAL 105 Cb -0.14 -4.74 0.36 0.00 0.00 0.00 0.00 36.38 31.85 1xmq s VAL 105 CO 0.11 -1.49 1.85 0.11 0.00 0.00 0.00 175.10 175.69 1xmq h LYS 106 N 9.66 0.00 -1.42 2.72 1.79 -0.81 -3.48 116.57 125.04 1xmq h LYS 106 Ca -0.27 0.00 0.39 0.00 -2.18 0.00 0.00 60.65 58.59 1xmq h LYS 106 Cb 1.06 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.59 1xmq h LYS 106 CO 1.20 0.00 0.98 -1.54 -1.08 0.00 0.00 179.45 179.01 1xmq s SER 107 N -5.57 -0.01 -0.04 0.86 1.04 -1.25 -4.99 113.70 103.74 1xmq s SER 107 Ca 0.03 -0.03 -0.03 0.00 0.48 0.00 0.00 55.95 56.40 1xmq s SER 107 Cb 0.08 0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.25 1xmq s SER 107 CO 0.56 -0.06 0.09 -0.63 0.98 0.00 0.00 173.24 174.18 1xmq s ILE 108 N -2.05 -0.01 -0.15 -1.02 1.01 -1.26 -1.69 121.20 116.03 1xmq s ILE 108 Ca 0.21 0.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.85 1xmq s ILE 108 Cb 0.05 -0.14 0.07 0.00 0.01 0.00 0.00 42.46 42.45 1xmq s ILE 108 CO -0.05 0.01 0.29 -0.69 0.00 0.00 0.00 174.94 174.50 1xmq s VAL 109 N 0.25 -0.45 -0.08 2.92 1.01 -0.99 -4.99 120.40 118.06 1xmq s VAL 109 Ca -0.02 0.23 -0.26 0.00 0.00 0.00 0.00 61.98 61.93 1xmq s VAL 109 Cb -0.03 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 1xmq s VAL 109 CO -0.01 0.08 0.83 -0.62 0.00 0.00 0.00 175.10 175.38 1xmq s ASP 110 N 2.45 7.10 -0.19 3.32 -1.08 -1.26 -0.93 116.67 126.07 1xmq s ASP 110 Ca 0.02 1.33 0.20 0.00 -0.52 0.00 0.00 52.55 53.57 1xmq s ASP 110 Cb -0.12 -2.47 0.47 0.00 -1.46 0.00 0.00 42.92 39.33 1xmq s ASP 110 CO -0.10 -0.25 1.15 -0.67 0.52 0.00 0.00 175.17 175.83 1xmq n ASP 111 N 4.26 2.04 -4.71 -0.34 2.03 0.35 -4.92 116.55 115.26 1xmq n ASP 111 Ca 0.03 -2.52 -0.43 0.00 0.52 0.00 0.00 54.79 52.38 1xmq n ASP 111 Cb 0.50 -0.41 -0.03 0.00 -0.72 0.00 0.00 41.12 40.47 1xmq n ASP 111 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1xmq n THR 112 N -0.39 0.58 -2.36 5.18 -1.04 -1.24 -4.87 114.28 110.13 1xmq n THR 112 Ca 0.15 -0.14 -0.33 0.00 -2.04 0.00 0.00 64.05 61.68 1xmq n THR 112 Cb 0.91 -1.79 -0.02 0.00 -1.82 0.00 0.00 70.33 67.61 1xmq n THR 112 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1xmq s PRO 113 N 0.17 3.68 -0.16 -2.82 0.04 -1.26 -4.95 135.00 129.70 1xmq s PRO 113 Ca 0.70 1.22 -0.09 0.00 0.04 0.00 0.00 61.00 62.88 1xmq s PRO 113 Cb -0.56 -2.08 0.06 0.00 0.04 0.00 0.00 34.50 31.95 1xmq s PRO 113 CO 0.43 -0.51 0.39 0.14 0.04 0.00 0.00 177.00 177.48 1xmq s VAL 114 N -2.27 -0.03 0.51 -0.36 -7.23 -1.26 -5.01 120.40 104.76 1xmq s VAL 114 Ca 0.64 0.09 -0.12 0.00 -1.81 0.00 0.00 61.98 60.79 1xmq s VAL 114 Cb -0.15 -0.57 -0.06 0.00 0.56 0.00 0.00 36.38 36.16 1xmq s VAL 114 CO 0.27 0.04 0.91 -2.16 -0.31 0.00 0.00 175.10 173.86 1xmq s PRO 115 N 1.30 3.75 -0.48 4.82 0.04 -1.26 -4.89 135.00 138.28 1xmq s PRO 115 Ca -0.09 0.66 -0.03 0.00 0.04 0.00 0.00 61.00 61.59 1xmq s PRO 115 Cb -0.08 -2.22 0.18 0.00 0.04 0.00 0.00 34.50 32.42 1xmq s PRO 115 CO -0.11 -0.29 2.40 0.72 0.04 0.00 0.00 177.00 179.76 1xmq n HIS 116 N -1.94 1.90 -2.23 0.56 8.25 -1.26 -4.78 115.22 115.72 1xmq n HIS 116 Ca 0.04 -2.10 -0.03 0.00 -0.26 0.00 0.00 57.72 55.37 1xmq n HIS 116 Cb 0.54 -1.25 -0.02 0.00 1.12 0.00 0.00 29.99 30.38 1xmq n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1xmq n ASN 117 N 0.38 -2.27 0.06 0.41 3.02 -1.26 -5.08 115.26 110.52 1xmq n ASN 117 Ca 0.45 0.89 0.00 0.00 -0.03 0.00 0.00 54.58 55.90 1xmq n ASN 117 Cb 0.54 -3.79 0.00 0.00 -0.61 0.00 0.00 39.78 35.92 1xmq n ASN 117 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xmq n GLY 118 N 0.93 -0.10 3.51 7.41 0.00 -1.26 -5.09 105.19 110.58 1xmq n GLY 118 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 1xmq n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xmq s ARG 120 N -0.69 3.50 0.75 0.00 3.52 -1.26 -4.94 118.95 119.83 1xmq s ARG 120 Ca 0.10 2.12 -0.14 0.00 -0.13 0.00 0.00 55.73 57.68 1xmq s ARG 120 Cb -0.11 -4.27 0.05 0.00 -1.56 0.00 0.00 34.95 29.06 1xmq s ARG 120 CO 0.01 -1.68 1.19 -1.25 -0.81 0.00 0.00 175.30 172.76 1xmq s PRO 121 N 5.60 2.05 0.75 5.12 0.04 -1.26 -4.95 135.00 142.35 1xmq s PRO 121 Ca 0.93 1.70 -0.13 0.00 0.04 0.00 0.00 61.00 63.54 1xmq s PRO 121 Cb -0.34 -1.83 0.05 0.00 0.04 0.00 0.00 34.50 32.42 1xmq s PRO 121 CO 0.36 -1.89 1.15 -1.59 0.04 0.00 0.00 177.00 175.08 1xmq s LYS 122 N -4.03 2.11 0.27 4.56 -2.85 -1.26 -4.78 119.74 113.76 1xmq s LYS 122 Ca 0.73 1.54 -0.03 0.00 -1.00 0.00 0.00 55.97 57.21 1xmq s LYS 122 Cb -0.28 -1.85 0.59 0.00 -2.06 0.00 0.00 37.83 34.23 1xmq s LYS 122 CO 0.47 -1.81 1.61 -0.22 0.10 0.00 0.00 175.35 175.50 1xmq h LYS 123 N -0.64 0.08 -1.38 1.78 3.64 -1.97 0.32 116.57 118.41 1xmq h LYS 123 Ca -0.46 -0.01 0.43 0.00 -1.27 0.00 0.00 60.65 59.35 1xmq h LYS 123 Cb 1.27 -0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 32.96 1xmq h LYS 123 CO 0.49 0.06 0.92 -0.22 -2.27 0.00 0.00 179.45 178.43 1xmq h LYS 124 N 0.09 0.09 -0.57 1.90 3.64 -2.03 0.80 116.57 120.48 1xmq h LYS 124 Ca 0.50 -0.01 -0.37 0.00 -1.27 0.00 0.00 60.65 59.50 1xmq h LYS 124 Cb 0.95 -0.02 -0.24 0.00 -0.41 0.00 0.00 32.23 32.52 1xmq h LYS 124 CO -0.76 0.06 -0.19 1.19 -2.27 0.00 0.00 179.45 177.48 1xmq n PHE 125 N -4.52 1.91 -4.52 1.91 3.01 0.11 -5.03 117.46 110.32 1xmq n PHE 125 Ca 0.36 -2.03 -0.22 0.00 1.01 0.00 0.00 57.45 56.57 1xmq n PHE 125 Cb 1.45 -0.59 -0.05 0.00 -0.01 0.00 0.00 39.48 40.28 1xmq n PHE 125 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1xmq n ARG 126 N -0.96 1.15 -0.51 -1.08 1.74 0.27 -4.72 116.66 112.55 1xmq n ARG 126 Ca 0.41 -2.55 0.00 0.00 -0.77 0.00 0.00 57.85 54.93 1xmq n ARG 126 Cb 0.95 0.69 0.00 0.00 -1.02 0.00 0.00 32.46 33.07 1xmq n ARG 126 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1xmq n LYS 127 N -0.87 0.00 0.00 5.56 4.76 -1.26 -5.06 118.16 121.29 1xmq n LYS 127 Ca -0.14 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 1xmq n LYS 127 Cb 0.44 -1.61 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 1xmq n LYS 127 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xmq n ALA 128 N -0.47 0.00 -0.52 7.82 0.00 -1.26 -5.30 120.51 120.78 1xmq n ALA 128 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xmq n ALA 128 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1xmq n ALA 128 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37