#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ktg s PRO 4 N 0.00 -0.33 -0.03 6.28 0.04 -1.26 -4.82 135.00 134.88 3ktg s PRO 4 Ca 0.00 -0.11 0.07 0.00 0.04 0.00 0.00 61.00 61.00 3ktg s PRO 4 Cb 0.00 -1.71 -0.02 0.00 0.04 0.00 0.00 34.50 32.81 3ktg s PRO 4 CO 0.00 -3.11 -0.23 0.95 0.04 0.00 0.00 177.00 174.65 3ktg s THR 5 N -3.31 2.27 -0.16 1.26 -4.23 -1.26 -1.60 115.64 108.61 3ktg s THR 5 Ca 0.71 -1.02 -0.02 0.00 -1.18 0.00 0.00 61.69 60.18 3ktg s THR 5 Cb -0.09 -1.81 -0.01 0.00 1.34 0.00 0.00 72.50 71.93 3ktg s THR 5 CO 0.55 0.58 -0.10 -0.69 -0.54 0.00 0.00 174.62 174.42 3ktg s VAL 6 N -0.56 3.24 0.24 2.29 1.01 0.29 -4.90 120.40 122.00 3ktg s VAL 6 Ca 0.08 -0.58 0.11 0.00 0.00 0.00 0.00 61.98 61.60 3ktg s VAL 6 Cb -0.11 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 3ktg s VAL 6 CO -0.00 0.49 -0.20 0.27 0.00 0.00 0.00 175.10 175.66 3ktg s ILE 7 N 0.66 2.31 0.00 2.22 -4.36 -1.26 -1.94 121.20 118.83 3ktg s ILE 7 Ca -0.05 -2.25 0.00 0.00 -0.26 0.00 0.00 60.65 58.09 3ktg s ILE 7 Cb -0.15 -2.19 0.00 0.00 1.25 0.00 0.00 42.46 41.37 3ktg s ILE 7 CO 0.02 -0.34 0.00 0.00 0.24 0.00 0.00 174.94 174.87 3ktg n ALA 16 N -0.28 0.00 -3.54 2.27 0.00 -1.26 -5.22 120.51 112.49 3ktg n ALA 16 Ca -0.08 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.21 3ktg n ALA 16 Cb 0.59 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.97 3ktg n ALA 16 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3ktg s TYR 17 N -2.53 -0.67 -0.06 0.00 2.02 -0.82 -5.07 117.35 110.22 3ktg s TYR 17 Ca 0.00 1.45 -0.16 0.00 -0.37 0.00 0.00 57.07 57.99 3ktg s TYR 17 Cb 0.00 0.30 -0.05 0.00 -0.40 0.00 0.00 41.96 41.81 3ktg s TYR 17 CO 0.00 -0.46 0.43 0.34 -1.57 0.00 0.00 175.55 174.29 3ktg s ASP 18 N -0.35 6.73 0.25 2.29 2.15 -1.26 0.10 116.67 126.59 3ktg s ASP 18 Ca -0.05 0.86 0.00 0.00 0.43 0.00 0.00 52.55 53.80 3ktg s ASP 18 Cb -0.03 -2.26 0.60 0.00 -0.30 0.00 0.00 42.92 40.92 3ktg s ASP 18 CO 0.05 0.16 1.30 0.00 -0.17 0.00 0.00 175.17 176.52 3ktg n ILE 19 N 2.77 -0.35 -0.15 4.11 0.13 -0.63 0.16 119.36 125.41 3ktg n ILE 19 Ca -0.11 1.85 -0.11 0.00 -1.10 0.00 0.00 62.75 63.28 3ktg n ILE 19 Cb 0.52 -2.67 -0.01 0.00 -0.84 0.00 0.00 39.64 36.64 3ktg n ILE 19 CO 0.00 0.00 0.00 1.88 2.80 0.00 0.00 176.55 181.23 3ktg h TYR 20 N 0.00 0.90 -0.81 9.51 0.05 -1.93 -2.20 116.97 122.49 3ktg h TYR 20 Ca 0.49 -0.18 0.04 0.00 0.05 0.00 0.00 58.73 59.12 3ktg h TYR 20 Cb 0.97 -0.22 -0.05 0.00 1.01 0.00 0.00 36.73 38.43 3ktg h TYR 20 CO -0.46 0.91 0.51 0.77 -1.05 0.00 0.00 178.16 178.84 3ktg h SER 21 N 0.64 0.84 -1.00 3.88 0.02 0.12 0.18 113.55 118.23 3ktg h SER 21 Ca 0.11 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.09 3ktg h SER 21 Cb 0.60 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.90 3ktg h SER 21 CO 0.04 0.57 0.66 -0.09 -1.14 0.00 0.00 176.83 176.86 3ktg h ARG 22 N 0.99 1.28 -0.16 3.45 9.65 -0.05 -1.80 114.38 127.73 3ktg h ARG 22 Ca 0.33 -0.08 -0.16 0.00 -1.10 0.00 0.00 59.98 58.97 3ktg h ARG 22 Cb 0.05 -0.29 -0.01 0.00 -1.39 0.00 0.00 29.97 28.33 3ktg h ARG 22 CO -0.13 0.84 -0.58 -0.07 2.80 0.00 0.00 179.97 182.84 3ktg h LEU 23 N 1.31 0.58 -2.15 3.80 4.07 -0.60 -2.75 115.31 119.56 3ktg h LEU 23 Ca 0.38 -0.32 0.01 0.00 0.08 0.00 0.00 57.88 58.03 3ktg h LEU 23 Cb -0.09 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 41.48 3ktg h LEU 23 CO -0.10 1.03 0.03 0.25 -1.08 0.00 0.00 178.44 178.57 3ktg h LEU 24 N 0.39 0.00 -1.33 1.67 5.85 0.15 0.22 115.31 122.25 3ktg h LEU 24 Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3ktg h LEU 24 Cb 1.12 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 3ktg h LEU 24 CO 0.11 0.00 -0.02 0.50 -0.34 0.00 0.00 178.44 178.69 3ktg h LYS 25 N 0.00 0.42 -0.86 1.25 3.64 -1.12 -1.80 116.57 118.11 3ktg h LYS 25 Ca 0.02 -0.08 -0.16 0.00 -1.27 0.00 0.00 60.65 59.15 3ktg h LYS 25 Cb 0.08 -0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 31.74 3ktg h LYS 25 CO -0.00 0.47 0.20 -0.25 -2.27 0.00 0.00 179.45 177.60 3ktg n ASP 26 N -4.30 3.81 -2.43 4.20 10.43 0.01 -4.89 116.55 123.38 3ktg n ASP 26 Ca 0.01 -2.81 -0.20 0.00 2.57 0.00 0.00 54.79 54.35 3ktg n ASP 26 Cb 0.23 -0.67 0.00 0.00 1.84 0.00 0.00 41.12 42.53 3ktg n ASP 26 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3ktg n ARG 27 N -0.05 -2.51 -4.16 -1.24 1.74 -0.68 -4.91 116.66 104.86 3ktg n ARG 27 Ca 0.28 0.93 -0.34 0.00 -0.77 0.00 0.00 57.85 57.94 3ktg n ARG 27 Cb 1.06 -5.57 -0.14 0.00 -1.02 0.00 0.00 32.46 26.78 3ktg n ARG 27 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3ktg s ILE 28 N -3.03 3.15 -0.18 0.55 1.01 -0.89 -1.78 121.20 120.03 3ktg s ILE 28 Ca 0.09 -0.58 -0.03 0.00 0.00 0.00 0.00 60.65 60.12 3ktg s ILE 28 Cb -0.04 -2.39 -0.02 0.00 0.01 0.00 0.00 42.46 40.02 3ktg s ILE 28 CO 0.11 0.46 -0.05 -0.63 0.00 0.00 0.00 174.94 174.83 3ktg s ILE 29 N 1.15 3.58 -0.35 2.92 1.01 -0.39 -3.12 121.20 125.99 3ktg s ILE 29 Ca 0.01 -0.45 -0.12 0.00 0.00 0.00 0.00 60.65 60.09 3ktg s ILE 29 Cb -0.14 -2.58 -0.00 0.00 0.01 0.00 0.00 42.46 39.74 3ktg s ILE 29 CO -0.02 0.47 0.23 -0.04 0.00 0.00 0.00 174.94 175.57 3ktg s MET 30 N 0.81 3.27 -0.64 2.79 -1.94 -1.26 -1.72 119.30 120.61 3ktg s MET 30 Ca -0.02 -0.79 -0.08 0.00 -1.71 0.00 0.00 55.69 53.09 3ktg s MET 30 Cb -0.15 -3.78 0.16 0.00 2.01 0.00 0.00 34.83 33.08 3ktg s MET 30 CO 0.02 -0.53 0.51 -1.17 -0.01 0.00 0.00 175.02 173.83 3ktg s LEU 31 N 1.67 5.84 -0.40 -0.03 2.96 -0.95 -4.93 118.68 122.83 3ktg s LEU 31 Ca 0.05 -2.50 0.07 0.00 -0.22 0.00 0.00 54.13 51.53 3ktg s LEU 31 Cb -0.18 -2.01 0.43 0.00 0.50 0.00 0.00 46.19 44.93 3ktg s LEU 31 CO 0.09 -0.53 1.10 0.61 -1.32 0.00 0.00 176.35 176.30 3ktg n GLY 32 N 4.09 5.45 3.85 7.98 0.00 -1.25 -1.16 105.19 124.14 3ktg n GLY 32 Ca 0.04 -2.54 -0.07 0.00 0.00 0.00 0.00 46.02 43.45 3ktg n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ktg s SER 33 N -3.51 -0.21 0.57 1.61 1.04 -1.16 -4.88 113.70 107.16 3ktg s SER 33 Ca 0.46 -0.70 -0.20 0.00 0.48 0.00 0.00 55.95 55.98 3ktg s SER 33 Cb 0.41 0.75 -0.04 0.00 0.10 0.00 0.00 66.02 67.23 3ktg s SER 33 CO -0.12 -1.40 1.29 0.00 0.98 0.00 0.00 173.24 173.98 3ktg s ALA 34 N -3.62 2.66 -0.58 5.32 0.00 -1.26 -4.49 121.76 119.79 3ktg s ALA 34 Ca 0.12 1.19 -0.21 0.00 0.00 0.00 0.00 51.96 53.06 3ktg s ALA 34 Cb -0.06 -3.52 0.07 0.00 0.00 0.00 0.00 23.12 19.62 3ktg s ALA 34 CO 0.08 -1.32 0.79 0.42 0.00 0.00 0.00 175.76 175.73 3ktg s ILE 35 N -1.41 4.64 0.45 0.00 1.01 0.26 -4.85 121.20 121.29 3ktg s ILE 35 Ca 0.75 -0.51 0.05 0.00 0.00 0.00 0.00 60.65 60.93 3ktg s ILE 35 Cb -0.36 -4.50 -0.05 0.00 0.01 0.00 0.00 42.46 37.55 3ktg s ILE 35 CO 0.41 -1.13 0.02 1.51 0.00 0.00 0.00 174.94 175.74 3ktg s ASP 36 N 3.29 4.01 0.31 3.58 3.84 -1.26 -0.46 116.67 129.97 3ktg s ASP 36 Ca 0.18 -1.48 0.07 0.00 -0.00 0.00 0.00 52.55 51.33 3ktg s ASP 36 Cb -0.19 -0.02 0.84 0.00 -1.38 0.00 0.00 42.92 42.17 3ktg s ASP 36 CO 0.11 -0.62 1.69 0.44 -0.00 0.00 0.00 175.17 176.79 3ktg h ASP 37 N 1.58 0.43 0.16 2.11 3.45 -1.95 -0.91 116.42 121.30 3ktg h ASP 37 Ca -0.44 0.16 -0.00 0.00 0.43 0.00 0.00 57.03 57.18 3ktg h ASP 37 Cb 1.27 0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 40.15 3ktg h ASP 37 CO 0.78 -0.01 -0.13 0.78 -1.57 0.00 0.00 179.24 179.09 3ktg h ASN 38 N 0.42 -0.32 -0.12 6.45 2.35 -1.98 -1.06 115.58 121.33 3ktg h ASN 38 Ca 0.62 0.03 0.03 0.00 -0.55 0.00 0.00 56.30 56.42 3ktg h ASN 38 Cb 1.23 0.11 -0.02 0.00 0.05 0.00 0.00 38.32 39.68 3ktg h ASN 38 CO -0.54 -0.20 -0.04 0.58 -1.65 0.00 0.00 177.43 175.58 3ktg h VAL 39 N -0.30 0.86 -0.38 2.81 2.07 -1.54 -1.37 116.25 118.39 3ktg h VAL 39 Ca -0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.55 3ktg h VAL 39 Cb 0.27 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 3ktg h VAL 39 CO -0.01 0.00 0.15 0.00 0.02 0.00 0.00 177.57 177.73 3ktg h ALA 40 N 1.10 0.46 -0.37 1.67 0.00 -1.19 0.11 119.26 121.05 3ktg h ALA 40 Ca 0.06 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3ktg h ALA 40 Cb 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 3ktg h ALA 40 CO -0.13 -0.23 0.08 -0.97 0.00 0.00 0.00 179.25 177.99 3ktg h ASN 41 N 0.32 0.02 -0.62 0.00 -0.00 -0.85 0.22 115.58 114.67 3ktg h ASN 41 Ca 0.17 0.06 -0.08 0.00 -0.00 0.00 0.00 56.30 56.45 3ktg h ASN 41 Cb 0.13 0.08 -0.03 0.00 -0.00 0.00 0.00 38.32 38.51 3ktg h ASN 41 CO -0.16 0.05 0.08 -1.28 -0.00 0.00 0.00 177.43 176.11 3ktg h SER 42 N 0.20 1.02 -0.20 1.15 0.87 -0.65 -1.79 113.55 114.15 3ktg h SER 42 Ca 0.17 -0.25 -0.08 0.00 -1.23 0.00 0.00 61.79 60.41 3ktg h SER 42 Cb 0.20 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 61.88 3ktg h SER 42 CO -0.22 1.03 -0.17 0.40 -0.53 0.00 0.00 176.83 177.33 3ktg h ILE 43 N 0.99 1.32 -0.56 2.23 1.08 -0.30 -1.89 117.51 120.39 3ktg h ILE 43 Ca 0.19 -1.31 -0.01 0.00 -0.39 0.00 0.00 64.86 63.34 3ktg h ILE 43 Cb 0.46 1.73 -0.03 0.00 -3.07 0.00 0.00 36.82 35.91 3ktg h ILE 43 CO 0.02 0.40 0.31 0.58 -0.69 0.00 0.00 178.15 178.76 3ktg h VAL 44 N 0.15 1.19 -0.41 1.67 2.07 -0.54 -1.19 116.25 119.19 3ktg h VAL 44 Ca 0.04 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 3ktg h VAL 44 Cb 0.70 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3ktg h VAL 44 CO 0.04 0.20 0.26 0.28 0.02 0.00 0.00 177.57 178.37 3ktg h SER 45 N 0.76 0.49 -0.41 0.57 0.02 -1.30 0.17 113.55 113.84 3ktg h SER 45 Ca 0.20 -0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 3ktg h SER 45 Cb 0.04 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 3ktg h SER 45 CO -0.03 0.39 0.11 1.56 -1.14 0.00 0.00 176.83 177.72 3ktg h GLN 46 N 0.55 0.72 0.08 3.45 4.20 -1.09 0.04 115.11 123.06 3ktg h GLN 46 Ca 0.15 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 3ktg h GLN 46 Cb -0.02 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.65 3ktg h GLN 46 CO -0.03 0.66 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.68 3ktg h LEU 47 N 0.70 -0.09 -0.58 1.46 3.38 -0.63 -0.67 115.31 118.89 3ktg h LEU 47 Ca 0.16 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 57.92 3ktg h LEU 47 Cb 0.27 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 3ktg h LEU 47 CO -0.00 0.22 0.28 -0.07 0.09 0.00 0.00 178.44 178.97 3ktg h LEU 48 N -0.41 0.39 0.48 1.67 3.38 -0.76 -0.07 115.31 119.99 3ktg h LEU 48 Ca -0.01 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3ktg h LEU 48 Cb 0.35 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3ktg h LEU 48 CO 0.02 0.25 -0.39 0.15 0.09 0.00 0.00 178.44 178.56 3ktg h PHE 49 N 0.53 -1.05 -0.86 1.13 3.57 -0.89 -0.05 116.94 119.32 3ktg h PHE 49 Ca 0.27 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.88 3ktg h PHE 49 Cb 0.22 0.40 -0.08 0.00 2.79 0.00 0.00 35.95 39.28 3ktg h PHE 49 CO -0.11 -0.56 0.48 -0.07 -2.23 0.00 0.00 178.31 175.82 3ktg h LEU 50 N -0.87 0.67 -1.35 0.59 3.38 -0.78 0.19 115.31 117.14 3ktg h LEU 50 Ca -0.05 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 3ktg h LEU 50 Cb 0.74 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3ktg h LEU 50 CO -0.01 0.35 -0.32 0.00 0.09 0.00 0.00 178.44 178.55 3ktg h ALA 51 N 1.50 1.44 0.14 1.53 0.00 -0.66 -1.91 119.26 121.29 3ktg h ALA 51 Ca 0.43 -0.30 -0.29 0.00 0.00 0.00 0.00 54.91 54.75 3ktg h ALA 51 Cb 0.46 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.22 3ktg h ALA 51 CO -0.28 0.41 -1.26 0.00 0.00 0.00 0.00 179.25 178.12 3ktg h ALA 52 N 1.68 0.04 -0.93 0.00 0.00 0.53 -1.91 119.26 118.66 3ktg h ALA 52 Ca -0.00 -0.81 -0.01 0.00 0.00 0.00 0.00 54.91 54.09 3ktg h ALA 52 Cb 0.58 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 3ktg h ALA 52 CO 0.04 0.78 0.55 0.93 0.00 0.00 0.00 179.25 181.55 3ktg h GLU 53 N 0.19 1.27 -0.40 0.00 4.39 -0.30 -3.42 114.58 116.32 3ktg h GLU 53 Ca -0.18 -0.12 0.14 0.00 0.34 0.00 0.00 59.36 59.55 3ktg h GLU 53 Cb 1.94 -0.26 -0.19 0.00 -0.10 0.00 0.00 28.75 30.14 3ktg h GLU 53 CO 0.23 0.89 -0.13 0.34 -1.16 0.00 0.00 179.01 179.18 3ktg s ASP 54 N -6.21 -0.64 0.00 1.42 -1.08 -0.75 -5.03 116.67 104.38 3ktg s ASP 54 Ca -0.13 -0.08 0.08 0.00 -0.52 0.00 0.00 52.55 51.90 3ktg s ASP 54 Cb 0.17 1.16 0.43 0.00 -1.46 0.00 0.00 42.92 43.22 3ktg s ASP 54 CO 0.82 -0.10 0.97 -0.81 0.52 0.00 0.00 175.17 176.57 3ktg n PRO 55 N 4.63 0.20 -0.11 4.34 -0.04 -0.72 -2.97 135.00 140.35 3ktg n PRO 55 Ca 0.08 0.06 -0.24 0.00 -0.04 0.00 0.00 63.50 63.36 3ktg n PRO 55 Cb 0.59 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.44 3ktg n PRO 55 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3ktg n GLU 56 N -1.08 0.63 -1.91 0.54 -0.58 -1.26 -2.78 120.64 114.18 3ktg n GLU 56 Ca 0.05 0.31 -0.42 0.00 -0.42 0.00 0.00 57.16 56.69 3ktg n GLU 56 Cb 0.04 -1.60 -0.03 0.00 -0.57 0.00 0.00 31.44 29.28 3ktg n GLU 56 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3ktg s LYS 57 N -2.48 4.21 1.04 3.49 1.02 -1.16 -4.72 119.74 121.13 3ktg s LYS 57 Ca -0.33 2.39 -0.13 0.00 0.02 0.00 0.00 55.97 57.92 3ktg s LYS 57 Cb 0.10 -3.14 0.21 0.00 -0.52 0.00 0.00 37.83 34.48 3ktg s LYS 57 CO 0.59 -0.61 1.08 -1.83 -0.92 0.00 0.00 175.35 173.65 3ktg s GLU 58 N 1.04 0.11 0.03 1.68 -1.05 -1.26 -4.62 118.70 114.62 3ktg s GLU 58 Ca 0.70 0.56 0.05 0.00 -0.15 0.00 0.00 54.97 56.12 3ktg s GLU 58 Cb -0.44 -1.70 -0.02 0.00 -0.44 0.00 0.00 34.13 31.53 3ktg s GLU 58 CO 0.32 -2.96 -0.13 0.42 0.95 0.00 0.00 175.26 173.86 3ktg s ILE 59 N -2.87 1.06 -0.25 1.83 1.01 -0.14 -4.93 121.20 116.90 3ktg s ILE 59 Ca 0.66 -0.89 -0.05 0.00 0.00 0.00 0.00 60.65 60.37 3ktg s ILE 59 Cb -0.20 -0.95 -0.00 0.00 0.01 0.00 0.00 42.46 41.32 3ktg s ILE 59 CO 0.59 0.05 0.01 -0.44 0.00 0.00 0.00 174.94 175.15 3ktg s SER 60 N -0.96 4.68 -0.46 3.58 0.01 -0.73 0.43 113.70 120.26 3ktg s SER 60 Ca 0.02 -0.54 -0.09 0.00 1.31 0.00 0.00 55.95 56.64 3ktg s SER 60 Cb -0.07 -1.80 0.11 0.00 0.21 0.00 0.00 66.02 64.47 3ktg s SER 60 CO 0.01 -0.09 0.33 -0.22 0.41 0.00 0.00 173.24 173.68 3ktg s LEU 61 N 1.48 5.63 0.46 2.44 2.96 0.17 -1.26 118.68 130.56 3ktg s LEU 61 Ca 0.04 -1.87 -0.22 0.00 -0.22 0.00 0.00 54.13 51.86 3ktg s LEU 61 Cb -0.16 -2.01 -0.08 0.00 0.50 0.00 0.00 46.19 44.45 3ktg s LEU 61 CO -0.01 -0.67 1.09 -0.31 -1.32 0.00 0.00 176.35 175.13 3ktg s TYR 62 N 1.37 3.00 -0.06 5.38 1.51 -0.70 -1.94 117.35 125.91 3ktg s TYR 62 Ca 0.05 1.58 -0.02 0.00 -1.01 0.00 0.00 57.07 57.67 3ktg s TYR 62 Cb -0.26 -3.21 0.03 0.00 -0.11 0.00 0.00 41.96 38.41 3ktg s TYR 62 CO -0.00 -1.08 0.04 0.42 -1.11 0.00 0.00 175.55 173.82 3ktg s ILE 63 N -1.71 0.06 -0.35 2.71 1.01 0.13 -2.25 121.20 120.80 3ktg s ILE 63 Ca 0.64 0.27 0.00 0.00 0.00 0.00 0.00 60.65 61.56 3ktg s ILE 63 Cb -0.23 -0.32 0.14 0.00 0.01 0.00 0.00 42.46 42.06 3ktg s ILE 63 CO 0.28 0.17 0.24 0.21 0.00 0.00 0.00 174.94 175.84 3ktg s ASN 64 N 2.10 2.62 -0.07 3.58 2.47 -0.31 -1.01 114.94 124.31 3ktg s ASN 64 Ca 0.05 -2.03 -0.20 0.00 0.42 0.00 0.00 52.86 51.09 3ktg s ASN 64 Cb -0.12 -0.20 0.04 0.00 -1.45 0.00 0.00 41.25 39.52 3ktg s ASN 64 CO -0.04 -0.30 0.47 -0.55 -3.72 0.00 0.00 177.10 172.95 3ktg s SER 65 N 1.18 -0.42 0.00 -4.21 0.15 -0.07 -3.01 113.70 107.33 3ktg s SER 65 Ca 0.18 0.50 0.27 0.00 0.70 0.00 0.00 55.95 57.60 3ktg s SER 65 Cb -0.21 0.55 1.35 0.00 -1.71 0.00 0.00 66.02 66.00 3ktg s SER 65 CO -0.01 -0.43 1.92 -0.81 1.20 0.00 0.00 173.24 175.10 3ktg n PRO 66 N 1.52 0.36 0.00 5.44 -0.04 -1.26 -1.80 135.00 139.22 3ktg n PRO 66 Ca -0.19 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 3ktg n PRO 66 Cb 0.56 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 3ktg n PRO 66 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ktg n GLY 67 N 1.02 -0.19 0.00 0.55 0.00 -1.17 -4.27 105.19 101.12 3ktg n GLY 67 Ca 0.12 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.34 3ktg n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ktg n GLY 68 N 0.00 -0.13 3.75 -0.02 0.00 -1.26 0.93 105.19 108.45 3ktg n GLY 68 Ca 0.00 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 3ktg n GLY 68 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ktg s SER 69 N -4.00 6.54 0.01 1.61 0.15 0.39 -4.76 113.70 113.63 3ktg s SER 69 Ca 0.00 2.78 -0.25 0.00 0.70 0.00 0.00 55.95 59.18 3ktg s SER 69 Cb 0.00 -2.63 -0.19 0.00 -1.71 0.00 0.00 66.02 61.50 3ktg s SER 69 CO 0.00 -0.79 1.39 0.40 1.20 0.00 0.00 173.24 175.43 3ktg h ILE 70 N 3.50 1.29 -0.93 6.45 2.04 -1.98 -0.79 117.51 127.09 3ktg h ILE 70 Ca -0.46 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 64.52 3ktg h ILE 70 Cb 1.22 1.87 -0.04 0.00 -0.74 0.00 0.00 36.82 39.12 3ktg h ILE 70 CO 0.79 0.23 0.55 0.71 0.00 0.00 0.00 178.15 180.43 3ktg h THR 71 N -0.35 1.26 -0.28 -0.27 1.35 -1.98 0.37 112.91 113.01 3ktg h THR 71 Ca 0.00 -0.58 -0.09 0.00 -0.55 0.00 0.00 66.41 65.20 3ktg h THR 71 Cb 0.37 -0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 66.73 3ktg h THR 71 CO 0.00 0.28 -0.19 0.00 -0.25 0.00 0.00 175.52 175.36 3ktg h ALA 72 N 1.30 1.16 -0.38 6.62 0.00 -1.89 -1.56 119.26 124.51 3ktg h ALA 72 Ca 0.33 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3ktg h ALA 72 Cb -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3ktg h ALA 72 CO -0.06 0.53 -0.11 0.78 0.00 0.00 0.00 179.25 180.40 3ktg h GLY 73 N 0.98 0.81 2.00 0.00 0.00 0.40 -2.91 103.07 104.34 3ktg h GLY 73 Ca 0.07 -0.68 -0.07 0.00 0.00 0.00 0.00 47.33 46.66 3ktg h GLY 73 CO 0.04 0.62 -0.32 -0.33 0.00 0.00 0.00 176.54 176.55 3ktg h MET 74 N 0.55 0.00 -0.21 4.80 2.86 -0.05 -0.66 114.93 122.22 3ktg h MET 74 Ca 0.10 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3ktg h MET 74 Cb 0.63 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 3ktg h MET 74 CO 0.04 0.32 0.12 0.00 1.06 0.00 0.00 176.91 178.45 3ktg h ALA 75 N 1.68 0.27 -0.43 6.32 0.00 -1.10 0.20 119.26 126.20 3ktg h ALA 75 Ca -0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3ktg h ALA 75 Cb 0.66 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3ktg h ALA 75 CO 0.04 -0.20 0.16 0.82 0.00 0.00 0.00 179.25 180.07 3ktg h ILE 76 N 0.25 1.21 0.42 0.00 2.04 -1.32 -1.95 117.51 118.15 3ktg h ILE 76 Ca 0.08 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 3ktg h ILE 76 Cb 0.05 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 3ktg h ILE 76 CO -0.01 0.24 -0.34 0.22 0.00 0.00 0.00 178.15 178.26 3ktg h TYR 77 N 0.55 -0.91 -0.69 1.37 3.20 -0.72 -0.93 116.97 118.85 3ktg h TYR 77 Ca 0.14 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.02 3ktg h TYR 77 Cb 0.22 0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 3ktg h TYR 77 CO 0.01 -0.49 0.46 -0.44 -1.64 0.00 0.00 178.16 176.05 3ktg h ASP 78 N -0.76 0.78 0.29 -2.11 3.45 -0.59 -2.21 116.42 115.28 3ktg h ASP 78 Ca -0.04 -0.02 -0.12 0.00 0.43 0.00 0.00 57.03 57.28 3ktg h ASP 78 Cb 0.66 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 39.22 3ktg h ASP 78 CO -0.01 0.56 -0.49 0.74 -1.57 0.00 0.00 179.24 178.47 3ktg h THR 79 N 0.92 1.34 -0.18 0.35 2.02 -1.14 -0.05 112.91 116.18 3ktg h THR 79 Ca 0.25 -1.71 -0.03 0.00 0.77 0.00 0.00 66.41 65.69 3ktg h THR 79 Cb -0.09 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 3ktg h THR 79 CO -0.06 0.51 -0.02 0.24 0.37 0.00 0.00 175.52 176.56 3ktg h MET 80 N 0.19 0.34 0.05 6.66 2.86 -0.57 -2.60 114.93 121.86 3ktg h MET 80 Ca 0.01 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3ktg h MET 80 Cb 0.93 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.57 3ktg h MET 80 CO 0.08 0.57 -0.02 1.96 1.06 0.00 0.00 176.91 180.55 3ktg h GLN 81 N 0.07 -0.07 -0.24 1.72 1.08 -1.40 -3.32 115.11 112.96 3ktg h GLN 81 Ca 0.05 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.31 3ktg h GLN 81 Cb 0.43 0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 27.80 3ktg h GLN 81 CO 0.01 0.21 -0.37 0.35 -0.95 0.00 0.00 178.83 178.09 3ktg h PHE 82 N -0.35 -1.04 -4.13 2.96 3.57 -1.01 -3.43 116.94 113.51 3ktg h PHE 82 Ca -0.01 0.05 -0.55 0.00 3.53 0.00 0.00 57.97 60.99 3ktg h PHE 82 Cb 0.31 0.49 0.16 0.00 2.79 0.00 0.00 35.95 39.70 3ktg h PHE 82 CO 0.02 -0.42 0.47 0.96 -2.23 0.00 0.00 178.31 177.11 3ktg s ILE 83 N -5.94 2.11 0.09 1.41 -4.36 -0.98 -4.94 121.20 108.59 3ktg s ILE 83 Ca -0.15 0.07 -0.19 0.00 -0.26 0.00 0.00 60.65 60.12 3ktg s ILE 83 Cb 0.11 -2.89 -0.07 0.00 1.25 0.00 0.00 42.46 40.85 3ktg s ILE 83 CO 0.66 -0.02 1.59 0.50 0.24 0.00 0.00 174.94 177.91 3ktg h LYS 84 N 0.25 0.39 -6.56 0.37 3.64 -1.83 -3.45 116.57 109.38 3ktg h LYS 84 Ca -0.50 -0.09 -0.59 0.00 -1.27 0.00 0.00 60.65 58.20 3ktg h LYS 84 Cb 1.32 -0.05 0.13 0.00 -0.41 0.00 0.00 32.23 33.22 3ktg h LYS 84 CO 0.52 0.49 0.09 -2.30 -2.27 0.00 0.00 179.45 175.98 3ktg n PRO 85 N -4.73 1.27 -2.74 1.90 -0.02 -1.12 -4.92 135.00 124.64 3ktg n PRO 85 Ca -0.03 0.45 -0.42 0.00 -2.02 0.00 0.00 63.50 61.48 3ktg n PRO 85 Cb 0.17 -1.93 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 3ktg n PRO 85 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3ktg s LYS 86 N -1.83 4.53 -0.35 -0.52 1.02 -1.26 -4.87 119.74 116.46 3ktg s LYS 86 Ca 0.62 1.36 -0.11 0.00 0.02 0.00 0.00 55.97 57.86 3ktg s LYS 86 Cb -0.60 -3.47 0.01 0.00 -0.52 0.00 0.00 37.83 33.25 3ktg s LYS 86 CO 0.58 -0.06 0.20 0.08 -0.92 0.00 0.00 175.35 175.22 3ktg s VAL 87 N 1.09 4.70 -0.00 3.17 1.01 -1.26 -0.97 120.40 128.14 3ktg s VAL 87 Ca 0.50 -0.63 -0.20 0.00 0.00 0.00 0.00 61.98 61.64 3ktg s VAL 87 Cb -0.20 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 3ktg s VAL 87 CO 0.26 -0.12 0.59 -0.55 0.00 0.00 0.00 175.10 175.29 3ktg s SER 88 N 1.60 6.98 -0.07 3.32 0.15 0.17 -1.07 113.70 124.78 3ktg s SER 88 Ca 0.04 1.16 0.02 0.00 0.70 0.00 0.00 55.95 57.87 3ktg s SER 88 Cb -0.18 -2.36 -0.02 0.00 -1.71 0.00 0.00 66.02 61.74 3ktg s SER 88 CO 0.07 0.11 -0.13 0.42 1.20 0.00 0.00 173.24 174.92 3ktg s THR 89 N -0.24 3.17 -0.19 6.45 -4.23 -0.84 0.44 115.64 120.20 3ktg s THR 89 Ca 0.31 -0.67 0.00 0.00 -1.18 0.00 0.00 61.69 60.15 3ktg s THR 89 Cb -0.18 -2.27 0.04 0.00 1.34 0.00 0.00 72.50 71.43 3ktg s THR 89 CO 0.17 0.58 -0.08 -0.63 -0.54 0.00 0.00 174.62 174.12 3ktg s ILE 90 N -0.52 1.41 -0.12 2.99 1.09 -0.82 0.23 121.20 125.47 3ktg s ILE 90 Ca 0.07 -0.89 -0.28 0.00 -1.10 0.00 0.00 60.65 58.46 3ktg s ILE 90 Cb -0.12 -1.56 -0.02 0.00 -1.06 0.00 0.00 42.46 39.71 3ktg s ILE 90 CO 0.02 0.12 0.92 0.00 -0.10 0.00 0.00 174.94 175.90 3ktg s ILE 92 N 1.94 0.92 0.00 0.00 -4.36 -0.18 -2.12 121.20 117.40 3ktg s ILE 92 Ca 0.44 -0.40 0.00 0.00 -0.26 0.00 0.00 60.65 60.43 3ktg s ILE 92 Cb -0.18 -0.83 0.00 0.00 1.25 0.00 0.00 42.46 42.70 3ktg s ILE 92 CO 0.16 0.29 0.00 0.61 0.24 0.00 0.00 174.94 176.24 3ktg n GLY 93 N 3.52 1.73 2.98 6.27 0.00 -1.26 -3.91 105.19 114.52 3ktg n GLY 93 Ca -0.21 0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 3ktg n GLY 93 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3ktg s MET 94 N 0.00 0.13 -0.30 1.61 -2.45 -1.26 -0.26 119.30 116.78 3ktg s MET 94 Ca 0.00 0.25 0.02 0.00 -1.25 0.00 0.00 55.69 54.71 3ktg s MET 94 Cb 0.00 -0.01 0.08 0.00 1.25 0.00 0.00 34.83 36.15 3ktg s MET 94 CO 0.00 -0.07 0.01 0.00 1.05 0.00 0.00 175.02 176.01 3ktg s ALA 95 N 0.45 2.32 0.25 4.11 0.00 0.28 -0.89 121.76 128.28 3ktg s ALA 95 Ca -0.03 -1.94 0.10 0.00 0.00 0.00 0.00 51.96 50.09 3ktg s ALA 95 Cb -0.05 -1.71 -0.05 0.00 0.00 0.00 0.00 23.12 21.32 3ktg s ALA 95 CO -0.02 -1.49 -0.18 0.00 0.00 0.00 0.00 175.76 174.07 3ktg s ALA 96 N 1.21 2.44 0.00 0.00 0.00 -0.74 -0.76 121.76 123.90 3ktg s ALA 96 Ca 0.04 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.21 3ktg s ALA 96 Cb -0.19 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.75 3ktg s ALA 96 CO -0.11 0.19 0.00 0.45 0.00 0.00 0.00 175.76 176.29 3ktg n SER 97 N -0.52 0.00 0.30 0.00 2.88 -0.39 -0.04 113.62 115.85 3ktg n SER 97 Ca -0.06 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.64 3ktg n SER 97 Cb 0.60 0.00 0.85 0.00 -0.75 0.00 0.00 64.21 64.92 3ktg n SER 97 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 3ktg h MET 98 N 0.00 0.00 -0.33 -1.46 2.86 -1.86 0.12 114.93 114.26 3ktg h MET 98 Ca 0.00 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.47 3ktg h MET 98 Cb 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 3ktg h MET 98 CO 0.00 0.00 -0.47 0.78 1.06 0.00 0.00 176.91 178.28 3ktg h GLY 99 N 0.00 0.96 1.70 8.32 0.00 -0.73 -0.04 103.07 113.29 3ktg h GLY 99 Ca 0.00 -1.05 -0.16 0.00 0.00 0.00 0.00 47.33 46.11 3ktg h GLY 99 CO 0.00 0.95 -0.67 0.00 0.00 0.00 0.00 176.54 176.82 3ktg h ALA 100 N 0.76 0.73 -0.00 3.60 0.00 -0.71 -1.57 119.26 122.06 3ktg h ALA 100 Ca 0.04 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 3ktg h ALA 100 Cb 1.06 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 3ktg h ALA 100 CO 0.11 0.76 0.00 0.35 0.00 0.00 0.00 179.25 180.47 3ktg h PHE 101 N 0.21 0.00 -0.67 0.00 3.57 -1.19 -0.89 116.94 117.98 3ktg h PHE 101 Ca -0.02 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 3ktg h PHE 101 Cb 1.21 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.92 3ktg h PHE 101 CO 0.03 0.08 0.35 -0.07 -2.23 0.00 0.00 178.31 176.46 3ktg h LEU 102 N -0.07 0.83 -0.22 0.59 3.38 -0.89 -0.28 115.31 118.65 3ktg h LEU 102 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3ktg h LEU 102 Cb 0.07 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3ktg h LEU 102 CO -0.00 0.68 0.14 0.25 0.09 0.00 0.00 178.44 179.60 3ktg h LEU 103 N 0.93 0.26 -1.05 1.67 5.85 -0.81 -1.51 115.31 120.66 3ktg h LEU 103 Ca 0.23 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3ktg h LEU 103 Cb 0.05 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.01 3ktg h LEU 103 CO -0.04 0.21 0.00 0.00 -0.34 0.00 0.00 178.44 178.28 3ktg h ALA 104 N 1.06 1.00 0.00 1.25 0.00 -0.65 -2.85 119.26 119.07 3ktg h ALA 104 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ktg h ALA 104 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3ktg h ALA 104 CO -0.02 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.23 3ktg h ALA 105 N 2.16 1.00 -2.15 0.00 0.00 0.02 -3.47 119.26 116.82 3ktg h ALA 105 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.44 3ktg h ALA 105 Cb 0.38 0.00 0.21 0.00 0.00 0.00 0.00 17.79 18.39 3ktg h ALA 105 CO 0.00 0.00 -0.00 0.41 0.00 0.00 0.00 179.25 179.66 3ktg n GLY 106 N 1.07 -1.54 3.67 0.00 0.00 -1.08 -4.88 105.19 102.43 3ktg n GLY 106 Ca 0.05 -1.01 -0.45 0.00 0.00 0.00 0.00 46.02 44.60 3ktg n GLY 106 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ktg n GLU 107 N -4.57 2.14 -1.66 1.61 4.07 -0.23 -4.81 120.64 117.18 3ktg n GLU 107 Ca 0.06 0.77 -0.47 0.00 -0.06 0.00 0.00 57.16 57.45 3ktg n GLU 107 Cb 0.54 -2.50 -0.04 0.00 -0.06 0.00 0.00 31.44 29.37 3ktg n GLU 107 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3ktg n LYS 108 N 2.90 2.03 0.00 5.31 4.76 -1.26 -0.20 118.16 131.70 3ktg n LYS 108 Ca 0.15 0.73 0.00 0.00 -2.87 0.00 0.00 58.31 56.32 3ktg n LYS 108 Cb 0.30 -2.50 0.00 0.00 -1.84 0.00 0.00 35.03 30.99 3ktg n LYS 108 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ktg n GLY 109 N 3.49 2.01 0.29 0.72 0.00 -1.26 -4.86 105.19 105.58 3ktg n GLY 109 Ca 0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.30 3ktg n GLY 109 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ktg n LYS 110 N -2.00 1.71 -3.33 1.61 4.01 0.73 -4.83 118.16 116.05 3ktg n LYS 110 Ca 0.00 -2.65 -0.44 0.00 -0.51 0.00 0.00 58.31 54.71 3ktg n LYS 110 Cb 0.00 -1.59 -0.08 0.00 -0.51 0.00 0.00 35.03 32.85 3ktg n LYS 110 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 3ktg s ARG 111 N -2.87 3.03 0.46 1.97 0.52 -1.22 -1.99 118.95 118.85 3ktg s ARG 111 Ca 0.35 -1.13 0.06 0.00 -0.52 0.00 0.00 55.73 54.49 3ktg s ARG 111 Cb 0.30 -4.09 -0.02 0.00 0.52 0.00 0.00 34.95 31.66 3ktg s ARG 111 CO 0.04 -1.02 0.25 0.71 0.02 0.00 0.00 175.30 175.30 3ktg s TYR 112 N 1.95 2.28 0.03 -0.53 4.12 0.13 0.89 117.35 126.22 3ktg s TYR 112 Ca 0.08 -0.68 -0.26 0.00 0.02 0.00 0.00 57.07 56.23 3ktg s TYR 112 Cb -0.22 -1.94 0.06 0.00 -1.52 0.00 0.00 41.96 38.35 3ktg s TYR 112 CO 0.09 -0.02 0.59 0.00 0.02 0.00 0.00 175.55 176.23 3ktg s ALA 113 N -2.66 -1.53 0.26 3.71 0.00 -1.11 -0.97 121.76 119.46 3ktg s ALA 113 Ca 0.36 0.85 -0.04 0.00 0.00 0.00 0.00 51.96 53.13 3ktg s ALA 113 Cb 0.01 0.32 -0.05 0.00 0.00 0.00 0.00 23.12 23.40 3ktg s ALA 113 CO 0.21 -0.49 0.51 -0.51 0.00 0.00 0.00 175.76 175.47 3ktg s LEU 114 N -1.79 4.10 0.16 0.00 1.43 -0.90 -0.79 118.68 120.90 3ktg s LEU 114 Ca -0.07 0.63 -0.07 0.00 -1.03 0.00 0.00 54.13 53.59 3ktg s LEU 114 Cb -0.01 -3.43 0.24 0.00 0.03 0.00 0.00 46.19 43.02 3ktg s LEU 114 CO 0.01 -0.15 0.97 -2.65 0.23 0.00 0.00 176.35 174.75 3ktg n PRO 115 N -0.85 -0.09 -0.64 1.29 -0.02 -1.24 -0.50 135.00 132.95 3ktg n PRO 115 Ca -0.02 0.96 0.08 0.00 -2.02 0.00 0.00 63.50 62.50 3ktg n PRO 115 Cb 0.54 -1.43 0.33 0.00 -0.02 0.00 0.00 33.50 32.92 3ktg n PRO 115 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3ktg n ASN 116 N -4.98 4.74 -4.75 2.55 4.13 -1.26 -4.48 115.26 111.22 3ktg n ASN 116 Ca 0.09 -2.78 -0.32 0.00 1.68 0.00 0.00 54.58 53.25 3ktg n ASN 116 Cb 0.29 -0.58 0.09 0.00 -1.54 0.00 0.00 39.78 38.04 3ktg n ASN 116 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 3ktg s SER 117 N -1.19 4.36 0.04 6.41 0.01 0.34 -4.78 113.70 118.89 3ktg s SER 117 Ca 0.48 1.96 0.04 0.00 1.31 0.00 0.00 55.95 59.74 3ktg s SER 117 Cb 0.35 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 64.02 3ktg s SER 117 CO 0.16 -2.13 -0.11 -0.70 0.41 0.00 0.00 173.24 170.86 3ktg s GLU 118 N -4.61 0.75 0.04 12.44 2.12 0.64 -3.11 118.70 126.96 3ktg s GLU 118 Ca 0.64 -0.73 0.05 0.00 0.36 0.00 0.00 54.97 55.29 3ktg s GLU 118 Cb -0.20 -0.69 -0.02 0.00 0.26 0.00 0.00 34.13 33.48 3ktg s GLU 118 CO 0.52 0.16 -0.15 0.08 -0.54 0.00 0.00 175.26 175.34 3ktg s VAL 119 N -0.99 1.17 -0.06 3.70 1.01 -0.30 -0.56 120.40 124.38 3ktg s VAL 119 Ca -0.02 -1.03 -0.03 0.00 0.00 0.00 0.00 61.98 60.90 3ktg s VAL 119 Cb -0.08 -1.06 0.03 0.00 0.00 0.00 0.00 36.38 35.27 3ktg s VAL 119 CO 0.01 0.01 0.13 -0.32 0.00 0.00 0.00 175.10 174.94 3ktg s MET 120 N -1.17 0.10 0.02 2.72 1.75 0.06 0.56 119.30 123.33 3ktg s MET 120 Ca 0.02 0.31 0.07 0.00 -1.25 0.00 0.00 55.69 54.84 3ktg s MET 120 Cb -0.08 -0.12 -0.02 0.00 2.84 0.00 0.00 34.83 37.45 3ktg s MET 120 CO 0.01 -0.13 -0.21 0.96 -0.65 0.00 0.00 175.02 175.01 3ktg s ILE 121 N 0.88 1.65 0.34 10.11 -4.36 -0.68 -1.26 121.20 127.87 3ktg s ILE 121 Ca -0.07 -1.08 -0.11 0.00 -0.26 0.00 0.00 60.65 59.13 3ktg s ILE 121 Cb -0.09 -1.41 0.02 0.00 1.25 0.00 0.00 42.46 42.23 3ktg s ILE 121 CO -0.04 0.30 0.63 -1.38 0.24 0.00 0.00 174.94 174.69 3ktg s HIS 122 N -0.68 0.45 0.54 1.37 -3.43 -1.26 -0.96 115.29 111.31 3ktg s HIS 122 Ca 0.08 -0.90 -0.06 0.00 -0.80 0.00 0.00 55.06 53.37 3ktg s HIS 122 Cb -0.08 0.41 -0.02 0.00 -1.43 0.00 0.00 32.58 31.45 3ktg s HIS 122 CO 0.01 -1.30 0.86 1.14 -2.00 0.00 0.00 174.74 173.46 3ktg s GLN 123 N -3.01 3.32 0.83 -0.38 -2.07 -0.44 -4.94 119.66 112.97 3ktg s GLN 123 Ca 0.21 0.21 -0.12 0.00 -1.82 0.00 0.00 55.36 53.83 3ktg s GLN 123 Cb -0.03 -2.29 0.10 0.00 -1.09 0.00 0.00 33.01 29.69 3ktg s GLN 123 CO 0.14 -0.44 1.19 -2.14 -1.32 0.00 0.00 175.29 172.71 3ktg s PRO 124 N -4.90 1.51 0.13 9.60 0.02 -1.26 -5.04 135.00 135.06 3ktg s PRO 124 Ca 0.51 1.70 0.10 0.00 0.02 0.00 0.00 61.00 63.33 3ktg s PRO 124 Cb -0.10 -1.77 -0.04 0.00 0.02 0.00 0.00 34.50 32.61 3ktg s PRO 124 CO 0.46 -2.30 -0.25 -0.51 -0.33 0.00 0.00 177.00 174.07 3ktg s LEU 125 N -5.91 2.33 0.00 -5.54 1.43 -1.26 -5.10 118.68 104.63 3ktg s LEU 125 Ca 0.71 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 3ktg s LEU 125 Cb -0.27 -1.13 0.00 0.00 0.03 0.00 0.00 46.19 44.82 3ktg s LEU 125 CO 0.52 0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.85 3ktg n GLY 126 N 0.85 1.77 3.57 -3.19 0.00 -1.26 -5.08 105.19 101.86 3ktg n GLY 126 Ca -0.18 -0.74 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 3ktg n GLY 126 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ktg s GLY 127 N -0.82 0.77 -0.29 -0.02 0.00 -1.26 -5.16 107.32 100.53 3ktg s GLY 127 Ca 0.00 -1.04 -0.16 0.00 0.00 0.00 0.00 44.72 43.52 3ktg s GLY 127 CO 0.00 -0.71 1.04 0.00 0.00 0.00 0.00 173.10 173.43 3ktg s ALA 128 N -3.68 -2.49 0.03 3.20 0.00 -1.26 -4.94 121.76 112.61 3ktg s ALA 128 Ca 0.24 2.11 -0.00 0.00 0.00 0.00 0.00 51.96 54.31 3ktg s ALA 128 Cb -0.01 -1.87 -0.02 0.00 0.00 0.00 0.00 23.12 21.22 3ktg s ALA 128 CO 0.12 -0.51 -0.03 -1.14 0.00 0.00 0.00 175.76 174.20 3ktg s GLN 129 N 1.57 0.36 0.00 0.00 2.00 -1.26 -4.98 119.66 117.36 3ktg s GLN 129 Ca -0.07 -0.71 0.00 0.00 -2.00 0.00 0.00 55.36 52.58 3ktg s GLN 129 Cb -0.04 0.11 0.00 0.00 0.80 0.00 0.00 33.01 33.88 3ktg s GLN 129 CO -0.15 -0.06 0.00 0.41 -0.50 0.00 0.00 175.29 175.00 3ktg n GLY 130 N 1.36 0.26 3.72 2.59 0.00 -1.26 -4.74 105.19 107.12 3ktg n GLY 130 Ca -0.22 -2.07 -0.31 0.00 0.00 0.00 0.00 46.02 43.42 3ktg n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ktg s GLN 131 N 0.00 1.53 0.24 1.61 -0.21 -1.26 -4.77 119.66 116.81 3ktg s GLN 131 Ca 0.00 1.20 -0.05 0.00 0.02 0.00 0.00 55.36 56.53 3ktg s GLN 131 Cb 0.00 -1.81 0.35 0.00 1.00 0.00 0.00 33.01 32.55 3ktg s GLN 131 CO 0.00 -2.16 1.85 0.00 -2.12 0.00 0.00 175.29 172.86 3ktg h ALA 132 N -1.51 1.19 -0.98 6.09 0.00 -1.99 0.39 119.26 122.46 3ktg h ALA 132 Ca -0.45 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.47 3ktg h ALA 132 Cb 1.26 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 3ktg h ALA 132 CO 0.49 0.25 0.65 1.15 0.00 0.00 0.00 179.25 181.79 3ktg h THR 133 N 0.95 1.24 0.00 0.00 2.02 -1.99 -0.65 112.91 114.47 3ktg h THR 133 Ca 0.38 -0.45 -0.16 0.00 0.77 0.00 0.00 66.41 66.95 3ktg h THR 133 Cb 0.21 -0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.41 3ktg h THR 133 CO -0.19 0.24 -0.78 -0.33 0.37 0.00 0.00 175.52 174.84 3ktg h GLU 134 N 1.31 0.00 -0.35 6.66 5.08 -1.67 -1.96 114.58 123.66 3ktg h GLU 134 Ca 0.36 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.61 3ktg h GLU 134 Cb -0.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3ktg h GLU 134 CO -0.09 0.78 -0.24 0.82 -1.00 0.00 0.00 179.01 179.28 3ktg h ILE 135 N 0.00 1.27 -0.32 3.13 1.08 -0.26 -1.94 117.51 120.48 3ktg h ILE 135 Ca -0.01 -1.34 -0.09 0.00 -0.39 0.00 0.00 64.86 63.04 3ktg h ILE 135 Cb 1.40 1.27 -0.01 0.00 -3.07 0.00 0.00 36.82 36.41 3ktg h ILE 135 CO 0.10 0.44 -0.14 -0.08 -0.69 0.00 0.00 178.15 177.78 3ktg h GLU 136 N 0.60 0.65 -0.90 2.37 4.81 -1.00 -0.37 114.58 120.74 3ktg h GLU 136 Ca 0.08 -0.28 0.01 0.00 -0.13 0.00 0.00 59.36 59.05 3ktg h GLU 136 Cb 0.73 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.04 3ktg h GLU 136 CO 0.06 0.86 0.59 0.82 -0.73 0.00 0.00 179.01 180.61 3ktg h ILE 137 N 0.41 1.22 -0.19 2.32 2.04 -1.20 0.11 117.51 122.22 3ktg h ILE 137 Ca 0.07 -0.41 -0.20 0.00 1.00 0.00 0.00 64.86 65.32 3ktg h ILE 137 Cb 0.66 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 3ktg h ILE 137 CO 0.04 0.22 -0.68 0.00 0.00 0.00 0.00 178.15 177.74 3ktg h ALA 138 N 1.45 0.44 0.38 1.87 0.00 -1.17 -2.66 119.26 119.56 3ktg h ALA 138 Ca 0.33 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3ktg h ALA 138 Cb -0.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3ktg h ALA 138 CO -0.08 0.69 -0.18 0.00 0.00 0.00 0.00 179.25 179.69 3ktg h ALA 139 N 0.70 -0.50 -0.85 0.00 0.00 -0.53 -0.86 119.26 117.22 3ktg h ALA 139 Ca -0.02 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 54.87 3ktg h ALA 139 Cb 1.28 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 19.17 3ktg h ALA 139 CO 0.14 -0.69 0.43 0.87 0.00 0.00 0.00 179.25 180.00 3ktg h LYS 140 N -0.69 0.60 -0.03 0.00 1.57 -1.06 0.46 116.57 117.42 3ktg h LYS 140 Ca -0.05 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3ktg h LYS 140 Cb 0.49 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 3ktg h LYS 140 CO 0.08 0.39 0.00 -0.09 -0.57 0.00 0.00 179.45 179.27 3ktg h ARG 141 N 0.61 0.06 -0.67 3.15 2.43 -1.30 0.35 114.38 119.02 3ktg h ARG 141 Ca 0.46 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.66 3ktg h ARG 141 Cb 0.66 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.15 3ktg h ARG 141 CO -0.37 0.33 0.39 0.97 -1.51 0.00 0.00 179.97 179.79 3ktg h ILE 142 N -0.23 1.03 -0.29 1.20 6.09 -0.57 0.29 117.51 125.04 3ktg h ILE 142 Ca 0.01 -0.26 -0.11 0.00 -1.37 0.00 0.00 64.86 63.13 3ktg h ILE 142 Cb 0.31 0.21 -0.01 0.00 0.47 0.00 0.00 36.82 37.80 3ktg h ILE 142 CO 0.00 0.14 -0.29 -0.07 -3.07 0.00 0.00 178.15 174.86 3ktg h LEU 143 N 0.75 0.61 -0.32 2.19 3.38 -0.80 -1.43 115.31 119.69 3ktg h LEU 143 Ca 0.28 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3ktg h LEU 143 Cb 0.10 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3ktg h LEU 143 CO -0.14 0.87 0.02 0.25 0.09 0.00 0.00 178.44 179.53 3ktg h LEU 144 N 0.51 0.54 -1.07 1.67 6.46 0.85 -2.16 115.31 122.10 3ktg h LEU 144 Ca 0.06 -0.29 -0.01 0.00 -0.12 0.00 0.00 57.88 57.52 3ktg h LEU 144 Cb 0.77 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.51 3ktg h LEU 144 CO 0.06 0.70 0.45 -0.07 -0.62 0.00 0.00 178.44 178.96 3ktg h LEU 145 N 0.36 0.97 -0.35 2.25 3.38 -0.29 -0.54 115.31 121.09 3ktg h LEU 145 Ca 0.09 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3ktg h LEU 145 Cb 0.41 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3ktg h LEU 145 CO 0.01 0.77 0.19 -0.09 0.09 0.00 0.00 178.44 179.41 3ktg h ARG 146 N 1.11 0.50 -0.42 1.13 1.12 -1.09 -0.81 114.38 115.91 3ktg h ARG 146 Ca 0.28 -0.06 -0.04 0.00 -1.11 0.00 0.00 59.98 59.06 3ktg h ARG 146 Cb -0.00 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 29.84 3ktg h ARG 146 CO -0.05 0.42 0.12 0.22 -3.11 0.00 0.00 179.97 177.58 3ktg h ASP 147 N 0.44 0.61 -0.54 -3.80 3.58 -0.91 -0.24 116.42 115.56 3ktg h ASP 147 Ca 0.12 -0.21 0.01 0.00 0.42 0.00 0.00 57.03 57.37 3ktg h ASP 147 Cb 0.08 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 40.93 3ktg h ASP 147 CO -0.02 0.66 0.34 0.50 -2.88 0.00 0.00 179.24 177.85 3ktg h LYS 148 N 0.53 0.67 -0.32 0.28 3.64 -0.90 -1.10 116.57 119.37 3ktg h LYS 148 Ca 0.13 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.36 3ktg h LYS 148 Cb 0.28 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3ktg h LYS 148 CO -0.00 0.44 -0.26 -0.07 -2.27 0.00 0.00 179.45 177.30 3ktg h LEU 149 N 0.69 0.65 -0.75 5.20 3.38 -0.97 -2.74 115.31 120.77 3ktg h LEU 149 Ca 0.20 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 3ktg h LEU 149 Cb -0.04 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3ktg h LEU 149 CO -0.06 0.88 -0.58 0.78 0.09 0.00 0.00 178.44 179.55 3ktg h ASN 150 N 0.56 0.16 0.17 -0.43 2.35 -0.73 -1.88 115.58 115.78 3ktg h ASN 150 Ca 0.08 -0.09 -0.11 0.00 -0.55 0.00 0.00 56.30 55.62 3ktg h ASN 150 Cb 0.73 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.04 3ktg h ASN 150 CO 0.06 0.70 -0.41 0.11 -1.65 0.00 0.00 177.43 176.24 3ktg h LYS 151 N 0.11 0.32 0.06 0.81 1.57 -1.01 -0.78 116.57 117.64 3ktg h LYS 151 Ca -0.00 -0.15 -0.28 0.00 -1.87 0.00 0.00 60.65 58.35 3ktg h LYS 151 Cb 1.06 -0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.39 3ktg h LYS 151 CO 0.08 0.68 -1.13 0.28 -0.57 0.00 0.00 179.45 178.79 3ktg h VAL 152 N 0.26 1.31 -0.16 0.50 2.07 -1.34 -2.99 116.25 115.90 3ktg h VAL 152 Ca 0.02 -2.43 -0.11 0.00 0.82 0.00 0.00 66.70 65.01 3ktg h VAL 152 Cb 0.84 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 33.16 3ktg h VAL 152 CO 0.07 0.74 -0.36 0.25 0.02 0.00 0.00 177.57 178.28 3ktg h LEU 153 N 0.29 0.36 -0.11 2.57 5.85 -1.24 -2.33 115.31 120.70 3ktg h LEU 153 Ca -0.15 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 3ktg h LEU 153 Cb 1.79 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.72 3ktg h LEU 153 CO 0.21 0.70 0.00 0.00 -0.34 0.00 0.00 178.44 179.01 3ktg h ALA 154 N 1.32 0.15 -0.56 1.25 0.00 -1.18 0.08 119.26 120.32 3ktg h ALA 154 Ca 0.03 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.78 3ktg h ALA 154 Cb 0.78 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3ktg h ALA 154 CO 0.06 -0.16 0.36 0.93 0.00 0.00 0.00 179.25 180.44 3ktg h GLU 155 N -0.07 0.70 0.00 0.00 5.08 -1.46 0.63 114.58 119.46 3ktg h GLU 155 Ca 0.03 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 3ktg h GLU 155 Cb 0.35 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3ktg h GLU 155 CO 0.01 0.46 -0.31 0.00 -1.00 0.00 0.00 179.01 178.17 3ktg h ARG 156 N 0.72 0.00 0.04 2.33 3.08 -1.37 -3.31 114.38 115.87 3ktg h ARG 156 Ca 0.22 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.89 3ktg h ARG 156 Cb -0.03 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 29.97 3ktg h ARG 156 CO -0.07 0.31 -2.24 0.25 -1.07 0.00 0.00 179.97 177.14 3ktg n THR 157 N -3.29 1.59 0.00 2.04 -2.24 0.01 -4.79 114.28 107.59 3ktg n THR 157 Ca 0.01 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 3ktg n THR 157 Cb 0.56 -1.38 0.00 0.00 -2.10 0.00 0.00 70.33 67.41 3ktg n THR 157 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ktg n GLY 158 N 2.05 0.62 3.83 3.38 0.00 0.22 -4.40 105.19 110.89 3ktg n GLY 158 Ca -0.37 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 3ktg n GLY 158 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ktg s GLN 159 N -0.60 4.19 0.44 1.61 -1.52 -1.14 -4.99 119.66 117.65 3ktg s GLN 159 Ca 0.00 1.04 -0.22 0.00 -1.95 0.00 0.00 55.36 54.23 3ktg s GLN 159 Cb 0.00 -2.23 -0.09 0.00 -0.22 0.00 0.00 33.01 30.47 3ktg s GLN 159 CO 0.00 0.00 1.01 -1.25 -0.25 0.00 0.00 175.29 174.81 3ktg s PRO 160 N -3.14 4.05 0.31 2.91 0.04 -1.26 -4.45 135.00 133.46 3ktg s PRO 160 Ca 0.61 1.33 0.06 0.00 0.04 0.00 0.00 61.00 63.04 3ktg s PRO 160 Cb -0.09 -2.27 0.85 0.00 0.04 0.00 0.00 34.50 33.02 3ktg s PRO 160 CO 0.14 -0.21 1.62 1.25 0.04 0.00 0.00 177.00 179.83 3ktg h LEU 161 N 1.98 -0.05 -0.68 -3.56 5.85 -1.93 0.27 115.31 117.19 3ktg h LEU 161 Ca -0.49 0.23 0.11 0.00 0.84 0.00 0.00 57.88 58.57 3ktg h LEU 161 Cb 1.21 0.32 -0.08 0.00 0.37 0.00 0.00 40.66 42.48 3ktg h LEU 161 CO 0.61 -0.25 0.28 -0.08 -0.34 0.00 0.00 178.44 178.66 3ktg h GLU 162 N 0.13 0.46 -0.04 1.25 4.57 -1.96 0.24 114.58 119.23 3ktg h GLU 162 Ca 0.62 -0.03 -0.24 0.00 -1.18 0.00 0.00 59.36 58.53 3ktg h GLU 162 Cb 1.36 -0.10 0.01 0.00 -0.16 0.00 0.00 28.75 29.86 3ktg h GLU 162 CO -0.74 0.30 -0.94 0.28 -1.18 0.00 0.00 179.01 176.72 3ktg h VAL 163 N 0.47 1.32 -0.55 0.32 2.07 -0.87 -2.61 116.25 116.40 3ktg h VAL 163 Ca 0.35 -2.24 0.01 0.00 0.82 0.00 0.00 66.70 65.65 3ktg h VAL 163 Cb 0.44 2.29 -0.03 0.00 -1.52 0.00 0.00 31.29 32.48 3ktg h VAL 163 CO -0.32 0.69 0.35 0.40 0.02 0.00 0.00 177.57 178.70 3ktg h ILE 164 N 0.37 1.11 -0.17 4.57 1.08 -0.64 -0.64 117.51 123.20 3ktg h ILE 164 Ca -0.09 -0.24 -0.00 0.00 -0.39 0.00 0.00 64.86 64.13 3ktg h ILE 164 Cb 1.58 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 35.66 3ktg h ILE 164 CO 0.18 0.13 0.09 -0.08 -0.69 0.00 0.00 178.15 177.78 3ktg h GLU 165 N 0.71 0.23 -0.36 2.37 4.81 -0.98 -2.51 114.58 118.85 3ktg h GLU 165 Ca 0.21 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 3ktg h GLU 165 Cb -0.04 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 3ktg h GLU 165 CO -0.07 0.25 0.22 -0.09 -0.73 0.00 0.00 179.01 178.60 3ktg h ARG 166 N 0.16 0.48 0.00 1.92 2.43 -1.26 -2.45 114.38 115.66 3ktg h ARG 166 Ca 0.06 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3ktg h ARG 166 Cb 0.09 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3ktg h ARG 166 CO -0.01 0.35 0.00 -0.25 -1.51 0.00 0.00 179.97 178.55 3ktg n ASP 167 N -4.81 0.00 -0.16 -3.80 9.92 -0.27 -2.41 116.55 115.02 3ktg n ASP 167 Ca -0.00 -0.00 0.02 0.00 -0.53 0.00 0.00 54.79 54.27 3ktg n ASP 167 Cb 0.04 -0.26 0.02 0.00 -0.64 0.00 0.00 41.12 40.28 3ktg n ASP 167 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 3ktg n THR 168 N -1.26 0.04 -0.28 -3.53 -2.24 -0.95 -4.56 114.28 101.50 3ktg n THR 168 Ca 0.08 -0.52 0.18 0.00 -2.27 0.00 0.00 64.05 61.53 3ktg n THR 168 Cb 0.13 1.06 0.47 0.00 -2.10 0.00 0.00 70.33 69.89 3ktg n THR 168 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 3ktg h ASP 169 N 0.77 0.49 -4.40 3.42 1.82 -1.10 -1.17 116.42 116.25 3ktg h ASP 169 Ca 0.00 0.06 -0.28 0.00 -0.39 0.00 0.00 57.03 56.42 3ktg h ASP 169 Cb 0.18 -0.03 -0.15 0.00 0.68 0.00 0.00 39.33 40.01 3ktg h ASP 169 CO 0.00 0.18 -0.68 -0.13 -1.61 0.00 0.00 179.24 177.00 3ktg s ARG 170 N -5.52 1.03 -0.30 0.28 0.52 -1.26 -4.70 118.95 109.01 3ktg s ARG 170 Ca -0.09 -1.47 -0.40 0.00 -0.52 0.00 0.00 55.73 53.25 3ktg s ARG 170 Cb 0.23 -0.34 -0.16 0.00 0.52 0.00 0.00 34.95 35.21 3ktg s ARG 170 CO 0.79 -0.06 1.76 -0.25 0.02 0.00 0.00 175.30 177.56 3ktg n ASP 171 N -0.19 2.34 -4.03 0.23 9.92 -1.26 -4.67 116.55 118.90 3ktg n ASP 171 Ca -0.09 1.06 -0.33 0.00 -0.53 0.00 0.00 54.79 54.91 3ktg n ASP 171 Cb 0.62 -1.13 -0.13 0.00 -0.64 0.00 0.00 41.12 39.84 3ktg n ASP 171 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 3ktg s ASN 172 N 3.66 4.77 -0.01 -2.24 3.04 -0.14 -4.99 114.94 119.03 3ktg s ASN 172 Ca 0.99 -2.59 -0.27 0.00 0.04 0.00 0.00 52.86 51.04 3ktg s ASN 172 Cb -1.09 -1.71 -0.04 0.00 -1.54 0.00 0.00 41.25 36.88 3ktg s ASN 172 CO 0.66 -0.35 0.85 -0.36 -3.04 0.00 0.00 177.10 174.86 3ktg s PHE 173 N 0.32 3.65 0.01 0.43 0.08 -1.26 -1.69 117.98 119.51 3ktg s PHE 173 Ca 0.14 1.51 0.04 0.00 0.12 0.00 0.00 56.93 58.74 3ktg s PHE 173 Cb -0.22 -2.96 -0.02 0.00 -0.57 0.00 0.00 43.02 39.25 3ktg s PHE 173 CO -0.04 0.07 -0.14 0.15 -0.10 0.00 0.00 175.22 175.17 3ktg s LYS 174 N 0.76 1.01 0.95 0.44 1.02 0.19 -4.99 119.74 119.12 3ktg s LYS 174 Ca 0.45 -0.62 -0.14 0.00 0.02 0.00 0.00 55.97 55.68 3ktg s LYS 174 Cb -0.20 -1.00 0.16 0.00 -0.52 0.00 0.00 37.83 36.27 3ktg s LYS 174 CO 0.24 0.26 1.19 -1.54 -0.92 0.00 0.00 175.35 174.58 3ktg s SER 175 N -0.71 3.21 0.23 2.83 1.04 -1.26 -1.14 113.70 117.89 3ktg s SER 175 Ca 0.03 0.72 -0.08 0.00 0.48 0.00 0.00 55.95 57.10 3ktg s SER 175 Cb -0.06 -1.10 0.22 0.00 0.10 0.00 0.00 66.02 65.18 3ktg s SER 175 CO 0.00 -2.71 1.90 0.00 0.98 0.00 0.00 173.24 173.41 3ktg h ALA 176 N -1.61 1.11 -0.39 5.32 0.00 -1.76 0.11 119.26 122.03 3ktg h ALA 176 Ca -0.47 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 3ktg h ALA 176 Cb 1.30 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3ktg h ALA 176 CO 0.53 0.47 0.12 0.93 0.00 0.00 0.00 179.25 181.30 3ktg h GLU 177 N 1.15 0.61 -0.58 0.00 3.07 -1.91 -1.58 114.58 115.34 3ktg h GLU 177 Ca 0.33 -0.13 -0.08 0.00 -0.50 0.00 0.00 59.36 58.97 3ktg h GLU 177 Cb -0.09 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 27.71 3ktg h GLU 177 CO -0.08 0.62 0.04 0.93 -1.40 0.00 0.00 179.01 179.12 3ktg h GLU 178 N 0.48 0.97 -0.60 2.33 5.08 -1.78 -2.13 114.58 118.92 3ktg h GLU 178 Ca 0.12 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 3ktg h GLU 178 Cb 0.27 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 3ktg h GLU 178 CO -0.00 0.93 0.25 0.00 -1.00 0.00 0.00 179.01 179.19 3ktg h ALA 179 N 1.13 1.30 0.15 3.43 0.00 -0.54 -0.92 119.26 123.82 3ktg h ALA 179 Ca 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3ktg h ALA 179 Cb 0.47 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3ktg h ALA 179 CO 0.02 0.52 -0.07 1.25 0.00 0.00 0.00 179.25 180.97 3ktg h LEU 180 N 0.86 -0.17 -1.72 0.00 5.85 -0.90 -1.42 115.31 117.81 3ktg h LEU 180 Ca 0.21 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 3ktg h LEU 180 Cb 0.15 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 3ktg h LEU 180 CO -0.02 0.05 -0.13 -0.08 -0.34 0.00 0.00 178.44 177.92 3ktg h GLU 181 N -0.39 0.01 0.00 1.25 4.81 -1.13 -1.40 114.58 117.72 3ktg h GLU 181 Ca -0.02 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 3ktg h GLU 181 Cb 0.31 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 3ktg h GLU 181 CO 0.03 0.14 -0.15 -0.92 -0.73 0.00 0.00 179.01 177.38 3ktg h TYR 182 N 0.01 0.00 0.00 0.92 3.20 -1.05 -3.47 116.97 116.58 3ktg h TYR 182 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3ktg h TYR 182 Cb 0.24 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.51 3ktg h TYR 182 CO 0.00 0.15 0.00 0.41 -1.64 0.00 0.00 178.16 177.08 3ktg n GLY 183 N 0.71 0.90 0.07 1.82 0.00 -0.53 -4.66 105.19 103.50 3ktg n GLY 183 Ca 0.02 -0.14 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 3ktg n GLY 183 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ktg h LEU 184 N 0.00 0.01 -9.28 0.99 3.38 -1.48 -3.35 115.31 105.58 3ktg h LEU 184 Ca 0.00 -0.02 -0.49 0.00 0.09 0.00 0.00 57.88 57.46 3ktg h LEU 184 Cb 0.00 -0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.61 3ktg h LEU 184 CO 0.00 1.01 -0.57 0.27 0.09 0.00 0.00 178.44 179.24 3ktg s ILE 185 N -2.68 0.90 -0.10 1.22 -4.36 -1.21 -3.96 121.20 111.00 3ktg s ILE 185 Ca -0.01 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.44 3ktg s ILE 185 Cb 0.09 -2.60 -0.10 0.00 1.25 0.00 0.00 42.46 41.10 3ktg s ILE 185 CO 0.82 0.00 -0.02 0.47 0.24 0.00 0.00 174.94 176.45 3ktg n ASP 186 N -0.90 2.85 -3.75 4.36 8.00 0.26 -4.68 116.55 122.68 3ktg n ASP 186 Ca -0.04 -0.03 -0.13 0.00 0.71 0.00 0.00 54.79 55.30 3ktg n ASP 186 Cb 0.66 0.36 -0.09 0.00 -0.02 0.00 0.00 41.12 42.02 3ktg n ASP 186 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3ktg s LYS 187 N -2.23 0.59 -0.36 -1.24 2.20 -1.13 -5.04 119.74 112.53 3ktg s LYS 187 Ca -0.09 0.04 -0.13 0.00 -0.36 0.00 0.00 55.97 55.43 3ktg s LYS 187 Cb 0.03 0.27 -0.00 0.00 -1.51 0.00 0.00 37.83 36.62 3ktg s LYS 187 CO 0.34 -0.14 0.25 0.42 -0.36 0.00 0.00 175.35 175.86 3ktg s ILE 188 N -0.82 5.17 0.34 5.43 1.01 -1.26 -2.76 121.20 128.31 3ktg s ILE 188 Ca -0.09 -0.41 -0.26 0.00 0.00 0.00 0.00 60.65 59.89 3ktg s ILE 188 Cb -0.04 -3.74 -0.09 0.00 0.01 0.00 0.00 42.46 38.60 3ktg s ILE 188 CO 0.03 -0.11 1.00 -0.76 0.00 0.00 0.00 174.94 175.10 3ktg s LEU 189 N 1.69 4.31 0.00 2.97 1.43 0.03 -4.94 118.68 124.17 3ktg s LEU 189 Ca 0.05 1.97 0.00 0.00 -1.03 0.00 0.00 54.13 55.13 3ktg s LEU 189 Cb -0.18 -4.01 0.00 0.00 0.03 0.00 0.00 46.19 42.03 3ktg s LEU 189 CO 0.10 -0.22 0.00 0.41 0.23 0.00 0.00 176.35 176.86 3ktg n THR 190 N 0.45 0.00 -3.82 5.49 -1.04 -1.26 -3.61 114.28 110.49 3ktg n THR 190 Ca 0.02 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.82 3ktg n THR 190 Cb 0.49 -0.93 -0.04 0.00 -1.82 0.00 0.00 70.33 68.03 3ktg n THR 190 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 3ktg s HIS 191 N -1.93 2.76 -2.03 -1.42 3.76 -1.26 -5.01 115.29 110.16 3ktg s HIS 191 Ca 0.00 -0.42 0.14 0.00 -0.15 0.00 0.00 55.06 54.63 3ktg s HIS 191 Cb 0.00 -1.91 0.76 0.00 1.11 0.00 0.00 32.58 32.53 3ktg s HIS 191 CO 0.00 0.11 1.50 1.47 -0.85 0.00 0.00 174.74 176.97 3ktg n LEU 192 N -1.37 0.24 -0.05 0.89 -0.00 -1.26 -3.24 117.00 112.21 3ktg n LEU 192 Ca -0.00 -0.11 -0.03 0.00 -0.00 0.00 0.00 56.01 55.88 3ktg n LEU 192 Cb 0.61 -0.02 -0.11 0.00 -0.00 0.00 0.00 43.42 43.90 3ktg n LEU 192 CO 0.43 0.05 -0.88 -1.84 -0.00 0.00 0.00 177.39 175.16 3ktg n GLU 193 N -0.55 1.35 0.00 1.47 -0.00 -1.26 -4.41 120.64 117.23 3ktg n GLU 193 Ca 0.10 -0.05 0.00 0.00 -0.00 0.00 0.00 57.16 57.22 3ktg n GLU 193 Cb 0.08 -1.36 0.00 0.00 -0.00 0.00 0.00 31.44 30.16 3ktg n GLU 193 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3ktg n HIS 194 N -2.37 0.00 -4.01 -1.84 8.25 -1.20 -4.60 115.22 109.45 3ktg n HIS 194 Ca -0.17 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 56.94 3ktg n HIS 194 Cb 0.79 -0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.78 3ktg n HIS 194 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3ktg s HIS 195 N -1.92 3.07 0.56 4.41 2.46 -1.26 -4.93 115.29 117.68 3ktg s HIS 195 Ca 0.00 -0.39 0.28 0.00 0.47 0.00 0.00 55.06 55.42 3ktg s HIS 195 Cb 0.00 -2.11 1.47 0.00 -0.13 0.00 0.00 32.58 31.81 3ktg s HIS 195 CO 0.00 -0.22 1.97 1.12 -2.47 0.00 0.00 174.74 175.15 3ktg h HIS 196 N 7.54 0.00 -0.35 3.88 2.07 -1.95 -0.14 115.15 126.20 3ktg h HIS 196 Ca -0.36 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.00 3ktg h HIS 196 Cb 1.18 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.15 3ktg h HIS 196 CO 0.60 0.00 -0.40 1.25 -3.07 0.00 0.00 177.93 176.31 3ktg h HIS 197 N 0.00 1.02 -0.03 6.12 6.17 -1.94 -3.54 115.15 122.96 3ktg h HIS 197 Ca 0.23 -0.31 0.00 0.00 0.71 0.00 0.00 60.37 61.00 3ktg h HIS 197 Cb 1.05 -0.21 0.00 0.00 2.52 0.00 0.00 27.41 30.77 3ktg h HIS 197 CO 0.00 1.11 0.00 0.72 0.71 0.00 0.00 177.93 180.47