#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibm n ARG 12 N 0.00 0.00 -2.60 1.97 0.63 -1.26 -5.09 116.66 110.31 1ibm n ARG 12 Ca 0.00 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.88 1ibm n ARG 12 Cb 0.00 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 32.87 1ibm n ARG 12 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1ibm n GLN 13 N 0.00 -4.43 -0.03 -0.14 1.13 -1.08 -5.03 117.38 107.80 1ibm n GLN 13 Ca 0.00 3.33 -0.05 0.00 -1.94 0.00 0.00 57.00 58.34 1ibm n GLN 13 Cb 0.00 -4.67 -0.03 0.00 0.11 0.00 0.00 30.24 25.65 1ibm n GLN 13 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1ibm n VAL 14 N 1.82 0.34 0.00 5.09 0.31 -0.15 -5.00 118.33 120.74 1ibm n VAL 14 Ca -0.34 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 1ibm n VAL 14 Cb 0.52 -0.88 0.00 0.00 -0.91 0.00 0.00 33.84 32.57 1ibm n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ibm n ALA 15 N -2.80 0.00 -2.27 3.52 0.00 -0.99 -4.63 120.51 113.35 1ibm n ALA 15 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 1ibm n ALA 15 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 1ibm n ALA 15 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ibm s SER 16 N -4.00 6.04 0.00 0.00 1.04 -1.26 -0.06 113.70 115.47 1ibm s SER 16 Ca 0.00 0.61 0.00 0.00 0.48 0.00 0.00 55.95 57.04 1ibm s SER 16 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1ibm s SER 16 CO 0.00 -1.71 0.00 0.61 0.98 0.00 0.00 173.24 173.12 1ibm n GLY 17 N 5.29 4.27 3.64 7.32 0.00 0.14 -4.13 105.19 121.72 1ibm n GLY 17 Ca 0.16 -0.93 -0.04 0.00 0.00 0.00 0.00 46.02 45.21 1ibm n GLY 17 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ibm s ARG 18 N 4.60 0.26 -0.10 1.61 3.52 0.53 -4.00 118.95 125.38 1ibm s ARG 18 Ca 0.00 0.36 0.03 0.00 -0.13 0.00 0.00 55.73 55.99 1ibm s ARG 18 Cb 0.00 0.11 0.00 0.00 -1.56 0.00 0.00 34.95 33.50 1ibm s ARG 18 CO 0.00 -0.04 -0.21 0.00 -0.81 0.00 0.00 175.30 174.25 1ibm s ALA 19 N 0.49 1.94 -0.24 6.12 0.00 0.70 0.14 121.76 130.91 1ibm s ALA 19 Ca 0.01 -0.84 -0.06 0.00 0.00 0.00 0.00 51.96 51.07 1ibm s ALA 19 Cb -0.04 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.28 1ibm s ALA 19 CO -0.12 0.19 0.03 0.71 0.00 0.00 0.00 175.76 176.57 1ibm s TYR 20 N 0.50 3.04 -0.30 0.00 1.51 -0.24 -0.61 117.35 121.26 1ibm s TYR 20 Ca -0.16 -0.63 -0.06 0.00 -1.01 0.00 0.00 57.07 55.21 1ibm s TYR 20 Cb -0.17 -2.19 0.01 0.00 -0.11 0.00 0.00 41.96 39.51 1ibm s TYR 20 CO 0.06 -0.44 0.07 0.42 -1.11 0.00 0.00 175.55 174.56 1ibm s ILE 21 N 1.56 3.85 -0.44 2.71 1.01 -0.14 -0.42 121.20 129.33 1ibm s ILE 21 Ca 0.06 -0.78 -0.09 0.00 0.00 0.00 0.00 60.65 59.84 1ibm s ILE 21 Cb -0.15 -3.01 0.10 0.00 0.01 0.00 0.00 42.46 39.41 1ibm s ILE 21 CO 0.01 0.05 0.30 -2.28 0.00 0.00 0.00 174.94 173.02 1ibm s HIS 22 N 1.47 3.40 0.17 3.97 5.65 -0.70 -0.96 115.29 128.29 1ibm s HIS 22 Ca 0.02 -1.78 0.01 0.00 0.25 0.00 0.00 55.06 53.55 1ibm s HIS 22 Cb -0.17 -3.25 -0.04 0.00 -1.18 0.00 0.00 32.58 27.94 1ibm s HIS 22 CO 0.02 -0.93 0.34 0.00 -0.65 0.00 0.00 174.74 173.51 1ibm s ALA 23 N 1.37 3.90 0.12 1.58 0.00 -0.00 -2.03 121.76 126.69 1ibm s ALA 23 Ca 0.05 -0.93 -0.23 0.00 0.00 0.00 0.00 51.96 50.84 1ibm s ALA 23 Cb -0.25 -1.89 0.07 0.00 0.00 0.00 0.00 23.12 21.05 1ibm s ALA 23 CO 0.00 0.49 0.58 -1.54 0.00 0.00 0.00 175.76 175.29 1ibm s SER 24 N -3.20 -0.54 0.00 0.00 1.04 -0.47 -3.60 113.70 106.94 1ibm s SER 24 Ca 0.36 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.88 1ibm s SER 24 Cb -0.11 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1ibm s SER 24 CO 0.29 -0.88 0.60 -1.22 0.98 0.00 0.00 173.24 173.01 1ibm n TYR 25 N -0.11 0.00 0.00 5.02 4.02 -1.26 -2.70 117.16 122.13 1ibm n TYR 25 Ca -0.17 -0.27 0.00 0.00 -0.01 0.00 0.00 57.90 57.45 1ibm n TYR 25 Cb 0.63 -0.17 0.00 0.00 -0.02 0.00 0.00 39.34 39.78 1ibm n TYR 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1ibm n ASN 26 N 0.56 0.00 0.00 7.72 3.02 -1.26 -4.99 115.26 120.30 1ibm n ASN 26 Ca 0.00 -0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1ibm n ASN 26 Cb 0.30 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 1ibm n ASN 26 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1ibm n ASN 27 N -0.00 0.00 -4.93 6.41 5.15 -1.10 -3.43 115.26 117.36 1ibm n ASN 27 Ca 0.00 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.74 1ibm n ASN 27 Cb 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.22 1ibm n ASN 27 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1ibm s THR 28 N -1.19 5.18 -0.30 -0.44 2.01 -1.26 -2.97 115.64 116.67 1ibm s THR 28 Ca 0.00 -0.86 -0.06 0.00 0.31 0.00 0.00 61.69 61.08 1ibm s THR 28 Cb 0.00 -3.73 0.17 0.00 0.01 0.00 0.00 72.50 68.96 1ibm s THR 28 CO 0.00 -0.19 0.70 -0.51 -0.69 0.00 0.00 174.62 173.94 1ibm s ILE 29 N -1.84 -0.87 0.36 1.82 2.07 -0.86 -2.39 121.20 119.48 1ibm s ILE 29 Ca 0.34 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.59 1ibm s ILE 29 Cb -0.10 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.46 1ibm s ILE 29 CO 0.28 0.00 0.56 0.68 -1.91 0.00 0.00 174.94 174.55 1ibm s VAL 30 N 2.85 4.93 -0.26 4.00 -7.23 -0.22 -1.73 120.40 122.74 1ibm s VAL 30 Ca 0.10 -0.49 -0.03 0.00 -1.81 0.00 0.00 61.98 59.75 1ibm s VAL 30 Cb -0.13 -3.80 0.14 0.00 0.56 0.00 0.00 36.38 33.16 1ibm s VAL 30 CO -0.19 -0.52 0.44 -0.89 -0.31 0.00 0.00 175.10 173.63 1ibm s THR 31 N -2.34 -0.70 0.30 5.32 2.01 0.44 -1.30 115.64 119.36 1ibm s THR 31 Ca 0.41 -0.04 -0.23 0.00 0.31 0.00 0.00 61.69 62.14 1ibm s THR 31 Cb -0.10 -0.85 -0.09 0.00 0.01 0.00 0.00 72.50 71.47 1ibm s THR 31 CO 0.36 -0.08 0.86 -0.63 -0.69 0.00 0.00 174.62 174.44 1ibm s ILE 32 N 2.63 4.37 0.10 1.82 -1.09 0.65 -1.08 121.20 128.61 1ibm s ILE 32 Ca 0.14 1.56 -0.06 0.00 -2.23 0.00 0.00 60.65 60.07 1ibm s ILE 32 Cb -0.15 -3.90 -0.02 0.00 -1.58 0.00 0.00 42.46 36.81 1ibm s ILE 32 CO -0.17 0.10 0.13 -0.89 -1.23 0.00 0.00 174.94 172.88 1ibm s THR 33 N -1.66 0.14 0.53 2.92 2.01 0.38 -1.37 115.64 118.59 1ibm s THR 33 Ca 0.49 -1.49 -0.07 0.00 0.31 0.00 0.00 61.69 60.93 1ibm s THR 33 Cb -0.17 -1.59 -0.03 0.00 0.01 0.00 0.00 72.50 70.73 1ibm s THR 33 CO 0.21 -0.65 0.86 1.51 -0.69 0.00 0.00 174.62 175.86 1ibm s ASP 34 N -2.93 6.14 0.65 3.53 -4.77 -0.31 -0.35 116.67 118.65 1ibm s ASP 34 Ca 0.11 1.00 0.12 0.00 -3.30 0.00 0.00 52.55 50.47 1ibm s ASP 34 Cb 0.06 -2.21 0.57 0.00 -1.09 0.00 0.00 42.92 40.25 1ibm s ASP 34 CO -0.07 -0.72 1.30 -0.65 0.70 0.00 0.00 175.17 175.73 1ibm h PRO 35 N 0.04 0.00 0.00 2.11 0.11 -1.80 1.48 132.00 133.94 1ibm h PRO 35 Ca -0.46 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1ibm h PRO 35 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1ibm h PRO 35 CO 0.62 0.00 -0.80 -0.44 -0.21 0.00 0.00 178.00 177.17 1ibm h ASP 36 N 0.00 0.00 0.00 -2.05 3.45 -1.95 -3.48 116.42 112.39 1ibm h ASP 36 Ca 0.06 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.52 1ibm h ASP 36 Cb 1.74 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.51 1ibm h ASP 36 CO -0.00 0.07 0.00 0.61 -1.57 0.00 0.00 179.24 178.35 1ibm n GLY 37 N 1.18 0.78 3.72 2.75 0.00 0.51 -5.09 105.19 109.04 1ibm n GLY 37 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1ibm n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ibm s ASN 38 N -1.65 7.17 0.73 1.61 0.02 -1.25 -4.73 114.94 116.84 1ibm s ASN 38 Ca 0.00 1.98 -0.14 0.00 -1.02 0.00 0.00 52.86 53.67 1ibm s ASN 38 Cb 0.00 -2.58 0.04 0.00 0.02 0.00 0.00 41.25 38.72 1ibm s ASN 38 CO 0.00 -0.38 1.16 -2.16 0.02 0.00 0.00 177.10 175.74 1ibm s PRO 39 N 0.72 2.26 0.07 -0.60 0.04 -1.26 -1.16 135.00 135.07 1ibm s PRO 39 Ca 0.55 1.59 -0.01 0.00 0.04 0.00 0.00 61.00 63.18 1ibm s PRO 39 Cb -0.28 -1.87 -0.00 0.00 0.04 0.00 0.00 34.50 32.39 1ibm s PRO 39 CO 0.30 -1.71 -0.01 -0.89 0.04 0.00 0.00 177.00 174.74 1ibm n ILE 40 N -2.79 0.96 -3.97 0.56 5.41 -0.47 -4.79 119.36 114.27 1ibm n ILE 40 Ca 0.12 0.30 -0.10 0.00 1.00 0.00 0.00 62.75 64.07 1ibm n ILE 40 Cb 0.51 -1.59 -0.12 0.00 -0.71 0.00 0.00 39.64 37.73 1ibm n ILE 40 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1ibm s THR 41 N -2.02 0.13 0.11 1.39 -4.23 -1.20 -5.04 115.64 104.78 1ibm s THR 41 Ca -0.01 -0.69 0.01 0.00 -1.18 0.00 0.00 61.69 59.82 1ibm s THR 41 Cb 0.00 -0.23 -0.04 0.00 1.34 0.00 0.00 72.50 73.57 1ibm s THR 41 CO 0.01 -0.35 -0.02 -1.66 -0.54 0.00 0.00 174.62 172.06 1ibm s TRP 42 N -1.07 0.90 0.01 3.99 1.48 -1.26 -0.25 118.94 122.73 1ibm s TRP 42 Ca -0.11 -1.02 -0.27 0.00 -1.06 0.00 0.00 56.10 53.64 1ibm s TRP 42 Cb -0.07 -0.53 0.06 0.00 -1.16 0.00 0.00 33.47 31.77 1ibm s TRP 42 CO -0.01 -0.26 0.62 0.45 -4.06 0.00 0.00 176.95 173.69 1ibm s SER 43 N -3.05 -0.58 0.33 -2.66 0.15 -0.42 -4.86 113.70 102.61 1ibm s SER 43 Ca 0.16 0.45 0.05 0.00 0.70 0.00 0.00 55.95 57.31 1ibm s SER 43 Cb 0.06 0.53 -0.03 0.00 -1.71 0.00 0.00 66.02 64.87 1ibm s SER 43 CO -0.03 -0.69 0.20 -0.94 1.20 0.00 0.00 173.24 172.99 1ibm s SER 44 N -1.63 1.74 0.28 5.45 1.04 -1.26 -1.05 113.70 118.26 1ibm s SER 44 Ca -0.08 -1.65 0.09 0.00 0.48 0.00 0.00 55.95 54.79 1ibm s SER 44 Cb -0.01 0.48 0.40 0.00 0.10 0.00 0.00 66.02 67.00 1ibm s SER 44 CO 0.03 -0.97 1.64 1.23 0.98 0.00 0.00 173.24 176.16 1ibm h GLY 45 N 2.13 0.08 0.98 7.32 0.00 -1.71 -2.77 103.07 109.10 1ibm h GLY 45 Ca -0.30 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 1ibm h GLY 45 CO 0.46 0.08 -0.32 -1.33 0.00 0.00 0.00 176.54 175.44 1ibm h GLY 46 N 1.59 -0.94 -0.21 4.60 0.00 -1.80 -3.17 103.07 103.14 1ibm h GLY 46 Ca -0.00 0.35 0.02 0.00 0.00 0.00 0.00 47.33 47.69 1ibm h GLY 46 CO 0.08 -0.34 -0.12 -0.62 0.00 0.00 0.00 176.54 175.53 1ibm n VAL 47 N -5.47 -0.14 -2.73 4.60 0.31 -1.05 -3.18 118.33 110.68 1ibm n VAL 47 Ca -0.13 0.77 -0.42 0.00 -0.01 0.00 0.00 64.34 64.54 1ibm n VAL 47 Cb 0.37 -0.98 -0.03 0.00 -0.91 0.00 0.00 33.84 32.29 1ibm n VAL 47 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1ibm s ILE 48 N -4.19 4.13 0.00 2.52 -4.36 -1.20 -4.94 121.20 113.16 1ibm s ILE 48 Ca -0.03 -0.34 0.00 0.00 -0.26 0.00 0.00 60.65 60.03 1ibm s ILE 48 Cb 0.02 -4.82 0.00 0.00 1.25 0.00 0.00 42.46 38.91 1ibm s ILE 48 CO 0.13 -1.66 0.00 0.61 0.24 0.00 0.00 174.94 174.26 1ibm n GLY 49 N 5.59 2.74 0.92 6.27 0.00 -1.19 -4.89 105.19 114.62 1ibm n GLY 49 Ca 0.07 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1ibm n GLY 49 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ibm n TYR 50 N 14.00 0.00 -4.72 1.61 0.53 -1.26 -4.56 117.16 122.76 1ibm n TYR 50 Ca 0.00 0.00 -0.30 0.00 -1.02 0.00 0.00 57.90 56.58 1ibm n TYR 50 Cb 0.00 -0.41 -0.13 0.00 -1.03 0.00 0.00 39.34 37.77 1ibm n TYR 50 CO 0.00 0.00 0.00 0.15 -1.02 0.00 0.00 176.86 175.99 1ibm s LYS 51 N 0.00 1.97 7.96 -0.72 1.02 -1.26 -4.21 119.74 124.51 1ibm s LYS 51 Ca 0.00 -1.03 0.00 0.00 0.02 0.00 0.00 55.97 54.96 1ibm s LYS 51 Cb 0.00 -2.12 0.00 0.00 -0.52 0.00 0.00 37.83 35.19 1ibm s LYS 51 CO 0.00 0.53 0.00 0.41 -0.92 0.00 0.00 175.35 175.37 1ibm n GLY 52 N 1.59 3.82 0.47 -3.33 0.00 -1.26 -3.77 105.19 102.71 1ibm n GLY 52 Ca -0.16 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 1ibm n GLY 52 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1ibm h SER 53 N 0.00 -1.40 -0.43 1.61 0.87 -1.95 -2.35 113.55 109.89 1ibm h SER 53 Ca 0.00 0.13 0.12 0.00 -1.23 0.00 0.00 61.79 60.81 1ibm h SER 53 Cb 0.00 0.49 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 1ibm h SER 53 CO 0.00 -0.59 0.52 0.03 -0.53 0.00 0.00 176.83 176.27 1ibm h ARG 54 N -0.85 0.00 -0.40 2.24 2.47 -1.94 -2.96 114.38 112.94 1ibm h ARG 54 Ca -0.04 0.00 0.08 0.00 -1.26 0.00 0.00 59.98 58.77 1ibm h ARG 54 Cb 0.78 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 29.01 1ibm h ARG 54 CO -0.15 0.00 -0.27 -0.22 0.56 0.00 0.00 179.97 179.89 1ibm h LYS 55 N 0.00 -0.19 0.35 0.04 3.64 -1.60 -3.27 116.57 115.54 1ibm h LYS 55 Ca 0.20 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.58 1ibm h LYS 55 Cb 1.25 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1ibm h LYS 55 CO -0.00 -0.13 -0.17 0.78 -2.27 0.00 0.00 179.45 177.66 1ibm h GLY 56 N -0.20 -0.50 0.00 5.01 0.00 -1.54 -3.39 103.07 102.46 1ibm h GLY 56 Ca 0.19 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1ibm h GLY 56 CO -0.52 -0.18 0.00 -0.37 0.00 0.00 0.00 176.54 175.47 1ibm n THR 57 N -3.39 0.00 -0.37 4.70 5.66 -1.23 -4.10 114.28 115.55 1ibm n THR 57 Ca -0.06 0.00 0.30 0.00 -3.05 0.00 0.00 64.05 61.24 1ibm n THR 57 Cb 0.19 0.00 0.56 0.00 -1.55 0.00 0.00 70.33 69.53 1ibm n THR 57 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 1ibm h PRO 58 N 0.00 0.20 0.85 1.09 0.13 -1.90 -0.27 132.00 132.10 1ibm h PRO 58 Ca 0.00 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.08 1ibm h PRO 58 Cb 0.00 -0.04 0.01 0.00 0.13 0.00 0.00 31.00 31.09 1ibm h PRO 58 CO 0.00 0.13 -0.41 -0.92 -0.23 0.00 0.00 178.00 176.57 1ibm h TYR 59 N 0.20 -1.06 -1.04 1.56 3.20 -1.92 0.55 116.97 118.46 1ibm h TYR 59 Ca 0.76 -0.03 0.29 0.00 3.14 0.00 0.00 58.73 62.90 1ibm h TYR 59 Cb 2.07 0.35 -0.12 0.00 1.54 0.00 0.00 36.73 40.57 1ibm h TYR 59 CO -0.01 -0.66 0.63 0.00 -1.64 0.00 0.00 178.16 176.49 1ibm h ALA 60 N -1.02 2.04 -0.87 1.82 0.00 -1.32 1.10 119.26 121.02 1ibm h ALA 60 Ca -0.12 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1ibm h ALA 60 Cb 0.88 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1ibm h ALA 60 CO 0.19 -0.55 0.46 0.00 0.00 0.00 0.00 179.25 179.36 1ibm h ALA 61 N 1.72 1.18 0.61 0.00 0.00 -0.57 0.12 119.26 122.32 1ibm h ALA 61 Ca 0.67 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.41 1ibm h ALA 61 Cb 1.54 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 18.99 1ibm h ALA 61 CO -0.45 0.65 -0.29 0.37 0.00 0.00 0.00 179.25 179.53 1ibm h GLN 62 N 1.22 -0.79 -0.53 0.00 4.15 0.34 0.27 115.11 119.77 1ibm h GLN 62 Ca 0.30 0.05 0.09 0.00 0.77 0.00 0.00 58.65 59.87 1ibm h GLN 62 Cb 0.05 0.18 -0.11 0.00 0.21 0.00 0.00 27.48 27.81 1ibm h GLN 62 CO -0.05 -0.48 -0.34 -0.07 -1.93 0.00 0.00 178.83 175.96 1ibm h LEU 63 N -0.96 -1.17 -0.49 -2.39 3.38 -0.79 0.37 115.31 113.25 1ibm h LEU 63 Ca -0.08 0.22 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1ibm h LEU 63 Cb 0.67 0.57 -0.04 0.00 0.09 0.00 0.00 40.66 41.95 1ibm h LEU 63 CO 0.14 -0.31 0.26 0.00 0.09 0.00 0.00 178.44 178.62 1ibm h ALA 64 N 0.87 0.62 -0.14 1.53 0.00 -0.70 0.12 119.26 121.57 1ibm h ALA 64 Ca 0.21 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1ibm h ALA 64 Cb 0.55 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 1ibm h ALA 64 CO -0.63 -0.07 -0.54 0.00 0.00 0.00 0.00 179.25 178.00 1ibm h ALA 65 N 1.24 -0.89 0.32 0.00 0.00 0.11 0.11 119.26 120.14 1ibm h ALA 65 Ca 0.21 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1ibm h ALA 65 Cb 0.08 1.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1ibm h ALA 65 CO -0.13 -1.09 -0.51 -0.07 0.00 0.00 0.00 179.25 177.46 1ibm h LEU 66 N -0.58 -1.45 -0.84 0.00 3.38 -0.88 -2.14 115.31 112.80 1ibm h LEU 66 Ca 0.03 0.13 0.11 0.00 0.09 0.00 0.00 57.88 58.25 1ibm h LEU 66 Cb 0.67 0.51 -0.12 0.00 0.09 0.00 0.00 40.66 41.81 1ibm h LEU 66 CO -0.44 -0.60 -0.39 -0.67 0.09 0.00 0.00 178.44 176.43 1ibm n ASP 67 N -5.42 -0.66 -0.12 -0.43 4.64 0.40 0.29 116.55 115.24 1ibm n ASP 67 Ca -0.10 1.47 -0.07 0.00 -1.38 0.00 0.00 54.79 54.72 1ibm n ASP 67 Cb 0.43 -0.29 -0.00 0.00 -1.04 0.00 0.00 41.12 40.22 1ibm n ASP 67 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1ibm h ALA 68 N 0.90 -0.07 0.57 -1.67 0.00 -0.17 -0.60 119.26 118.21 1ibm h ALA 68 Ca 0.24 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 1ibm h ALA 68 Cb 0.45 0.62 0.01 0.00 0.00 0.00 0.00 17.79 18.87 1ibm h ALA 68 CO -0.82 -0.66 -0.27 0.00 0.00 0.00 0.00 179.25 177.50 1ibm h ALA 69 N 0.91 -1.12 -0.78 0.00 0.00 0.32 -1.64 119.26 116.95 1ibm h ALA 69 Ca 0.18 -0.17 0.24 0.00 0.00 0.00 0.00 54.91 55.16 1ibm h ALA 69 Cb 0.51 0.29 -0.14 0.00 0.00 0.00 0.00 17.79 18.45 1ibm h ALA 69 CO -0.52 -1.07 0.10 1.63 0.00 0.00 0.00 179.25 179.39 1ibm n LYS 70 N -4.18 -0.06 -0.05 0.00 5.02 0.87 0.15 118.16 119.92 1ibm n LYS 70 Ca -0.09 1.14 -0.13 0.00 -2.02 0.00 0.00 58.31 57.21 1ibm n LYS 70 Cb 0.30 -1.86 -0.07 0.00 -0.02 0.00 0.00 35.03 33.37 1ibm n LYS 70 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1ibm h LYS 71 N 0.00 0.37 0.00 1.97 1.57 -1.03 -2.72 116.57 116.73 1ibm h LYS 71 Ca 0.51 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1ibm h LYS 71 Cb 1.13 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1ibm h LYS 71 CO -0.70 0.78 0.00 0.00 -0.57 0.00 0.00 179.45 178.96 1ibm n ALA 72 N -2.44 1.82 0.29 3.86 0.00 0.32 -1.63 120.51 122.73 1ibm n ALA 72 Ca -0.06 -0.05 0.18 0.00 0.00 0.00 0.00 53.44 53.51 1ibm n ALA 72 Cb 0.39 -1.30 0.77 0.00 0.00 0.00 0.00 19.45 19.31 1ibm n ALA 72 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1ibm h MET 73 N 0.00 0.00 0.15 0.00 2.86 0.18 -1.78 114.93 116.34 1ibm h MET 73 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1ibm h MET 73 Cb 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1ibm h MET 73 CO 0.00 0.00 -0.07 0.00 1.06 0.00 0.00 176.91 177.90 1ibm h ALA 74 N 2.00 -0.21 0.00 6.32 0.00 -1.39 -2.95 119.26 123.02 1ibm h ALA 74 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ibm h ALA 74 Cb 0.43 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ibm h ALA 74 CO 0.00 -0.24 0.00 0.66 0.00 0.00 0.00 179.25 179.67 1ibm n TYR 75 N -4.90 0.00 -1.29 0.00 4.02 -1.08 -4.68 117.16 109.23 1ibm n TYR 75 Ca -0.06 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.75 1ibm n TYR 75 Cb 0.22 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.51 1ibm n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ibm n GLY 76 N -0.43 0.97 3.62 2.72 0.00 -1.12 -0.98 105.19 109.97 1ibm n GLY 76 Ca 0.00 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 1ibm n GLY 76 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ibm n MET 77 N -2.71 -0.12 0.15 1.61 2.81 -0.69 -2.34 117.12 115.84 1ibm n MET 77 Ca -0.08 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 1ibm n MET 77 Cb 0.29 -2.28 0.00 0.00 -0.71 0.00 0.00 33.22 30.52 1ibm n MET 77 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1ibm n GLN 78 N -3.18 0.00 -3.50 0.03 6.02 0.91 -4.69 117.38 112.97 1ibm n GLN 78 Ca 0.12 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.73 1ibm n GLN 78 Cb 0.51 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.71 1ibm n GLN 78 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ibm s SER 79 N -2.96 6.67 -0.01 1.08 0.15 -0.70 0.15 113.70 118.07 1ibm s SER 79 Ca 0.00 0.79 -0.04 0.00 0.70 0.00 0.00 55.95 57.40 1ibm s SER 79 Cb 0.00 -2.23 -0.00 0.00 -1.71 0.00 0.00 66.02 62.08 1ibm s SER 79 CO 0.00 0.22 0.08 -0.69 1.20 0.00 0.00 173.24 174.04 1ibm s VAL 80 N -0.39 0.06 -0.23 4.45 1.01 0.25 0.25 120.40 125.81 1ibm s VAL 80 Ca 0.22 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 1ibm s VAL 80 Cb -0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 1ibm s VAL 80 CO 0.10 -0.28 0.03 -1.81 0.00 0.00 0.00 175.10 173.14 1ibm s ASP 81 N -0.90 4.92 -0.02 3.32 1.11 -1.26 -1.50 116.67 122.33 1ibm s ASP 81 Ca -0.10 -0.23 -0.14 0.00 0.18 0.00 0.00 52.55 52.26 1ibm s ASP 81 Cb -0.06 -1.86 -0.05 0.00 1.07 0.00 0.00 42.92 42.01 1ibm s ASP 81 CO 0.00 0.01 0.38 -0.69 1.18 0.00 0.00 175.17 176.05 1ibm s VAL 82 N 1.36 5.09 -0.19 -1.27 1.01 0.71 -0.21 120.40 126.90 1ibm s VAL 82 Ca 0.05 0.77 -0.01 0.00 0.00 0.00 0.00 61.98 62.79 1ibm s VAL 82 Cb -0.15 -3.69 0.05 0.00 0.00 0.00 0.00 36.38 32.60 1ibm s VAL 82 CO 0.02 0.56 -0.03 -0.63 0.00 0.00 0.00 175.10 175.02 1ibm s ILE 83 N -0.91 1.03 0.07 2.22 1.01 0.23 -1.10 121.20 123.75 1ibm s ILE 83 Ca 0.23 -0.74 -0.14 0.00 0.00 0.00 0.00 60.65 59.99 1ibm s ILE 83 Cb -0.16 -1.32 -0.06 0.00 0.01 0.00 0.00 42.46 40.92 1ibm s ILE 83 CO 0.12 -0.02 0.47 0.68 0.00 0.00 0.00 174.94 176.19 1ibm s VAL 84 N 1.64 4.95 -0.05 2.92 -7.23 0.19 -0.97 120.40 121.86 1ibm s VAL 84 Ca -0.01 0.80 -0.02 0.00 -1.81 0.00 0.00 61.98 60.94 1ibm s VAL 84 Cb -0.17 -3.73 0.04 0.00 0.56 0.00 0.00 36.38 33.08 1ibm s VAL 84 CO -0.07 0.42 0.10 -0.13 -0.31 0.00 0.00 175.10 175.10 1ibm s ARG 85 N -1.52 -0.02 0.25 4.82 1.81 -0.14 -0.50 118.95 123.65 1ibm s ARG 85 Ca 0.31 0.41 0.00 0.00 -1.72 0.00 0.00 55.73 54.73 1ibm s ARG 85 Cb -0.16 -0.36 0.00 0.00 -0.45 0.00 0.00 34.95 33.98 1ibm s ARG 85 CO 0.17 -0.28 0.00 0.41 -0.68 0.00 0.00 175.30 174.92 1ibm n GLY 86 N 5.01 -2.23 0.00 -3.53 0.00 -1.26 -0.82 105.19 102.36 1ibm n GLY 86 Ca -0.10 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.04 1ibm n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ibm n THR 87 N -0.07 0.00 0.00 2.61 -1.04 -1.24 -4.76 114.28 109.79 1ibm n THR 87 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1ibm n THR 87 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1ibm n THR 87 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ibm n GLY 88 N 2.88 2.60 3.56 3.41 0.00 -1.26 -1.36 105.19 115.01 1ibm n GLY 88 Ca 0.00 -1.62 -0.46 0.00 0.00 0.00 0.00 46.02 43.95 1ibm n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ibm n ALA 89 N 1.21 1.53 0.00 4.61 0.00 -1.26 -1.82 120.51 124.79 1ibm n ALA 89 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1ibm n ALA 89 Cb 0.00 -2.79 0.00 0.00 0.00 0.00 0.00 19.45 16.66 1ibm n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ibm n GLY 90 N 5.91 1.50 0.00 0.00 0.00 -1.26 -3.33 105.19 108.01 1ibm n GLY 90 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1ibm n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ibm n ARG 91 N 0.00 0.00 -0.34 1.61 0.63 -0.76 -0.84 116.66 116.96 1ibm n ARG 91 Ca 0.00 0.37 0.14 0.00 -0.92 0.00 0.00 57.85 57.44 1ibm n ARG 91 Cb 0.00 -1.27 0.33 0.00 0.45 0.00 0.00 32.46 31.97 1ibm n ARG 91 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1ibm h GLU 92 N 0.00 0.60 0.27 -0.14 4.57 -1.96 -1.64 114.58 116.28 1ibm h GLU 92 Ca 0.00 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1ibm h GLU 92 Cb 0.00 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.42 1ibm h GLU 92 CO 0.00 0.40 -0.40 0.37 -1.18 0.00 0.00 179.01 178.20 1ibm h GLN 93 N 0.62 -0.70 -0.54 1.92 -0.00 -1.91 -2.72 115.11 111.78 1ibm h GLN 93 Ca 0.59 0.05 0.10 0.00 -0.00 0.00 0.00 58.65 59.39 1ibm h GLN 93 Cb 1.01 0.16 -0.11 0.00 0.00 0.00 0.00 27.48 28.55 1ibm h GLN 93 CO -0.44 -0.47 -0.29 0.00 0.00 0.00 0.00 178.83 177.63 1ibm h ALA 94 N -0.28 0.01 -0.79 3.38 0.00 -0.00 0.18 119.26 121.75 1ibm h ALA 94 Ca -0.01 0.16 0.18 0.00 0.00 0.00 0.00 54.91 55.25 1ibm h ALA 94 Cb 0.69 0.70 -0.14 0.00 0.00 0.00 0.00 17.79 19.04 1ibm h ALA 94 CO -0.14 -0.64 0.01 0.82 0.00 0.00 0.00 179.25 179.30 1ibm h ILE 95 N -0.16 0.30 -0.62 0.00 2.04 -1.27 0.72 117.51 118.53 1ibm h ILE 95 Ca 0.23 -0.03 0.13 0.00 1.00 0.00 0.00 64.86 66.18 1ibm h ILE 95 Cb 0.53 0.20 -0.11 0.00 -0.74 0.00 0.00 36.82 36.70 1ibm h ILE 95 CO -0.63 0.02 -0.10 -0.09 0.00 0.00 0.00 178.15 177.35 1ibm h ARG 96 N 0.10 0.04 0.25 2.37 9.65 -0.35 0.11 114.38 126.54 1ibm h ARG 96 Ca 0.43 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.30 1ibm h ARG 96 Cb 0.78 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.34 1ibm h ARG 96 CO -0.70 0.03 -0.20 0.00 2.80 0.00 0.00 179.97 181.90 1ibm h ALA 97 N 1.60 -0.97 -0.77 2.80 0.00 0.75 -2.47 119.26 120.20 1ibm h ALA 97 Ca 0.31 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.25 1ibm h ALA 97 Cb 0.49 0.38 -0.13 0.00 0.00 0.00 0.00 17.79 18.53 1ibm h ALA 97 CO -0.60 -0.97 -0.41 -0.07 0.00 0.00 0.00 179.25 177.20 1ibm h LEU 98 N -0.44 -1.46 -1.04 0.00 3.38 -0.69 0.50 115.31 115.55 1ibm h LEU 98 Ca -0.03 0.27 0.34 0.00 0.09 0.00 0.00 57.88 58.55 1ibm h LEU 98 Cb 0.37 0.71 -0.15 0.00 0.09 0.00 0.00 40.66 41.68 1ibm h LEU 98 CO 0.00 -0.30 0.59 1.56 0.09 0.00 0.00 178.44 180.38 1ibm h GLN 99 N -0.11 0.28 0.00 1.13 4.20 -0.67 -3.11 115.11 116.83 1ibm h GLN 99 Ca 0.25 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.94 1ibm h GLN 99 Cb 0.56 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1ibm h GLN 99 CO -0.81 0.18 0.00 0.00 -0.67 0.00 0.00 178.83 177.53 1ibm n ALA 100 N -2.31 0.00 0.00 3.87 0.00 0.15 -4.70 120.51 117.52 1ibm n ALA 100 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1ibm n ALA 100 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.49 1ibm n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ibm n SER 101 N -0.16 0.00 0.00 0.00 3.41 0.05 -3.95 113.62 112.97 1ibm n SER 101 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ibm n SER 101 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ibm n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ibm n GLY 102 N 0.00 0.01 3.75 5.00 0.00 -1.26 -5.07 105.19 107.62 1ibm n GLY 102 Ca 0.00 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1ibm n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ibm s LEU 103 N -0.39 3.76 -0.17 0.99 1.43 -1.25 -4.98 118.68 118.07 1ibm s LEU 103 Ca 0.00 2.51 -0.23 0.00 -1.03 0.00 0.00 54.13 55.38 1ibm s LEU 103 Cb 0.00 -4.46 -0.02 0.00 0.03 0.00 0.00 46.19 41.74 1ibm s LEU 103 CO 0.00 -1.53 0.71 -1.58 0.23 0.00 0.00 176.35 174.18 1ibm s GLN 104 N -3.12 4.27 -1.03 1.70 2.00 0.39 -4.75 119.66 119.13 1ibm s GLN 104 Ca 0.74 0.79 -0.12 0.00 -2.00 0.00 0.00 55.36 54.77 1ibm s GLN 104 Cb -0.34 -3.56 0.23 0.00 0.80 0.00 0.00 33.01 30.14 1ibm s GLN 104 CO 0.38 -0.22 1.07 0.08 -0.50 0.00 0.00 175.29 176.10 1ibm s VAL 105 N 1.82 5.59 0.53 1.34 1.01 -1.26 -0.58 120.40 128.85 1ibm s VAL 105 Ca 0.33 -2.83 0.21 0.00 0.00 0.00 0.00 61.98 59.69 1ibm s VAL 105 Cb -0.16 -4.64 0.33 0.00 0.00 0.00 0.00 36.38 31.91 1ibm s VAL 105 CO 0.12 -1.25 2.08 0.11 0.00 0.00 0.00 175.10 176.16 1ibm h LYS 106 N 7.30 0.00 -2.58 2.72 1.79 -1.65 -3.46 116.57 120.69 1ibm h LYS 106 Ca 0.18 0.00 0.12 0.00 -2.18 0.00 0.00 60.65 58.77 1ibm h LYS 106 Cb 0.94 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.50 1ibm h LYS 106 CO 0.99 0.00 0.39 -1.54 -1.08 0.00 0.00 179.45 178.21 1ibm s SER 107 N -6.65 -0.27 -0.02 0.86 1.04 -1.25 -5.04 113.70 102.37 1ibm s SER 107 Ca -0.05 -0.34 -0.01 0.00 0.48 0.00 0.00 55.95 56.03 1ibm s SER 107 Cb 0.18 0.55 0.01 0.00 0.10 0.00 0.00 66.02 66.86 1ibm s SER 107 CO 0.70 -0.98 0.04 -0.63 0.98 0.00 0.00 173.24 173.34 1ibm s ILE 108 N -3.47 -0.02 -0.11 -1.02 1.01 -1.25 -0.21 121.20 116.13 1ibm s ILE 108 Ca 0.09 0.06 -0.06 0.00 0.00 0.00 0.00 60.65 60.75 1ibm s ILE 108 Cb -0.02 -0.07 0.05 0.00 0.01 0.00 0.00 42.46 42.42 1ibm s ILE 108 CO -0.00 0.03 0.25 -0.69 0.00 0.00 0.00 174.94 174.53 1ibm s VAL 109 N 0.35 -0.04 -0.31 2.92 1.01 -0.26 -4.97 120.40 119.10 1ibm s VAL 109 Ca -0.03 0.14 -0.22 0.00 0.00 0.00 0.00 61.98 61.87 1ibm s VAL 109 Cb -0.04 -0.39 -0.00 0.00 0.00 0.00 0.00 36.38 35.95 1ibm s VAL 109 CO -0.01 0.06 0.74 -0.62 0.00 0.00 0.00 175.10 175.27 1ibm s ASP 110 N 1.24 6.61 -0.23 3.32 -1.08 -1.26 -0.63 116.67 124.63 1ibm s ASP 110 Ca -0.09 0.58 0.12 0.00 -0.52 0.00 0.00 52.55 52.64 1ibm s ASP 110 Cb -0.10 -2.38 0.45 0.00 -1.46 0.00 0.00 42.92 39.42 1ibm s ASP 110 CO -0.09 -0.58 1.19 -0.67 0.52 0.00 0.00 175.17 175.55 1ibm n ASP 111 N 6.11 3.11 -4.69 -0.34 2.03 0.34 -4.93 116.55 118.18 1ibm n ASP 111 Ca 0.02 -3.48 -0.43 0.00 0.52 0.00 0.00 54.79 51.43 1ibm n ASP 111 Cb 0.48 -0.42 -0.03 0.00 -0.72 0.00 0.00 41.12 40.43 1ibm n ASP 111 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1ibm n THR 112 N -0.74 0.38 -1.83 5.18 -1.04 -1.19 -4.85 114.28 110.18 1ibm n THR 112 Ca 0.28 -0.07 -0.40 0.00 -2.04 0.00 0.00 64.05 61.82 1ibm n THR 112 Cb 0.87 -2.11 0.01 0.00 -1.82 0.00 0.00 70.33 67.28 1ibm n THR 112 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1ibm s PRO 113 N 2.78 3.94 -0.15 -2.82 0.04 -1.26 -4.93 135.00 132.60 1ibm s PRO 113 Ca 0.82 2.47 -0.08 0.00 0.04 0.00 0.00 61.00 64.26 1ibm s PRO 113 Cb -0.49 -2.83 0.06 0.00 0.04 0.00 0.00 34.50 31.27 1ibm s PRO 113 CO 0.38 -0.63 0.36 0.54 0.04 0.00 0.00 177.00 177.69 1ibm s VAL 114 N -1.16 -0.13 0.62 -0.36 0.11 -1.26 -4.99 120.40 113.22 1ibm s VAL 114 Ca 0.56 0.13 -0.11 0.00 -2.93 0.00 0.00 61.98 59.63 1ibm s VAL 114 Cb -0.45 -0.55 -0.04 0.00 -1.53 0.00 0.00 36.38 33.82 1ibm s VAL 114 CO 0.59 0.05 1.03 -2.16 -3.33 0.00 0.00 175.10 171.29 1ibm s PRO 115 N 1.59 3.58 -0.60 1.54 0.04 -1.26 -4.92 135.00 134.97 1ibm s PRO 115 Ca -0.08 0.77 -0.01 0.00 0.04 0.00 0.00 61.00 61.72 1ibm s PRO 115 Cb -0.10 -2.08 0.49 0.00 0.04 0.00 0.00 34.50 32.86 1ibm s PRO 115 CO -0.11 -0.59 2.01 0.72 0.04 0.00 0.00 177.00 179.06 1ibm n HIS 116 N -2.74 3.12 -1.40 0.56 8.25 -1.26 -4.83 115.22 116.93 1ibm n HIS 116 Ca 0.06 -2.71 0.00 0.00 -0.26 0.00 0.00 57.72 54.81 1ibm n HIS 116 Cb 0.54 -1.32 0.00 0.00 1.12 0.00 0.00 29.99 30.33 1ibm n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1ibm n ASN 117 N -0.92 -1.86 0.00 0.41 3.02 -1.26 -5.12 115.26 109.53 1ibm n ASN 117 Ca 0.61 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.16 1ibm n ASN 117 Cb 0.89 -0.93 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 1ibm n ASN 117 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ibm n GLY 118 N -0.07 0.12 3.75 7.41 0.00 -1.26 -5.08 105.19 110.06 1ibm n GLY 118 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1ibm n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ibm s ARG 120 N -0.26 4.00 0.86 0.00 3.52 -1.26 -4.96 118.95 120.85 1ibm s ARG 120 Ca 0.38 2.19 -0.11 0.00 -0.13 0.00 0.00 55.73 58.07 1ibm s ARG 120 Cb -0.21 -4.08 0.11 0.00 -1.56 0.00 0.00 34.95 29.21 1ibm s ARG 120 CO 0.24 -1.08 1.11 -1.25 -0.81 0.00 0.00 175.30 173.51 1ibm s PRO 121 N 4.48 1.51 0.69 5.12 0.04 -1.26 -4.98 135.00 140.61 1ibm s PRO 121 Ca 0.80 1.25 -0.11 0.00 0.04 0.00 0.00 61.00 62.97 1ibm s PRO 121 Cb -0.34 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 32.40 1ibm s PRO 121 CO 0.33 -2.19 1.06 -1.59 0.04 0.00 0.00 177.00 174.66 1ibm s LYS 122 N -4.79 2.92 0.24 4.56 -2.85 -1.26 -4.60 119.74 113.95 1ibm s LYS 122 Ca 0.64 1.01 -0.07 0.00 -1.00 0.00 0.00 55.97 56.55 1ibm s LYS 122 Cb -0.20 -1.99 0.38 0.00 -2.06 0.00 0.00 37.83 33.97 1ibm s LYS 122 CO 0.57 -1.12 1.34 1.17 0.10 0.00 0.00 175.35 177.41 1ibm n LYS 123 N -3.02 -0.09 -0.21 1.78 4.81 -1.26 0.14 118.16 120.32 1ibm n LYS 123 Ca 0.08 1.34 -0.03 0.00 -0.87 0.00 0.00 58.31 58.83 1ibm n LYS 123 Cb 0.53 -2.00 -0.01 0.00 0.02 0.00 0.00 35.03 33.57 1ibm n LYS 123 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1ibm n LYS 124 N -5.39 -0.17 -0.59 1.64 4.76 -1.26 -0.19 118.16 116.95 1ibm n LYS 124 Ca 0.13 0.78 0.06 0.00 -2.87 0.00 0.00 58.31 56.41 1ibm n LYS 124 Cb 0.42 -1.15 0.28 0.00 -1.84 0.00 0.00 35.03 32.74 1ibm n LYS 124 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1ibm n PHE 125 N -4.70 1.25 0.00 2.13 3.01 0.12 -4.98 117.46 114.29 1ibm n PHE 125 Ca 0.03 -0.96 0.00 0.00 1.01 0.00 0.00 57.45 57.53 1ibm n PHE 125 Cb 0.17 -0.39 0.00 0.00 -0.01 0.00 0.00 39.48 39.25 1ibm n PHE 125 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1ibm n ARG 126 N -0.40 2.75 -2.25 -1.08 5.12 0.73 -4.87 116.66 116.66 1ibm n ARG 126 Ca 0.25 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 56.17 1ibm n ARG 126 Cb 1.00 0.00 -0.00 0.00 -1.16 0.00 0.00 32.46 32.30 1ibm n ARG 126 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1ibm n LYS 127 N 0.00 -3.37 0.00 5.56 4.76 -1.26 -5.01 118.16 118.84 1ibm n LYS 127 Ca 0.00 2.45 0.00 0.00 -2.87 0.00 0.00 58.31 57.89 1ibm n LYS 127 Cb 0.00 -3.25 0.00 0.00 -1.84 0.00 0.00 35.03 29.94 1ibm n LYS 127 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ibm n ALA 128 N 1.91 0.00 -0.29 7.82 0.00 -1.26 -5.21 120.51 123.49 1ibm n ALA 128 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1ibm n ALA 128 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 1ibm n ALA 128 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37