#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 1.18 0.38 6.28 0.04 -1.26 -4.83 135.00 136.79 3ktg s PRO 4 Ca 0.00 0.59 0.07 0.00 0.04 0.00 0.00 61.00 61.70 3ktg s PRO 4 Cb 0.00 -1.82 -0.01 0.00 0.04 0.00 0.00 34.50 32.72 3ktg s PRO 4 CO 0.00 -2.23 0.47 0.95 0.04 0.00 0.00 177.00 176.22 3ktg s THR 5 N -3.06 3.40 -0.29 1.26 -4.23 -1.26 -1.82 115.64 109.64 3ktg s THR 5 Ca 0.63 -1.10 -0.04 0.00 -1.18 0.00 0.00 61.69 60.01 3ktg s THR 5 Cb -0.17 -3.17 0.10 0.00 1.34 0.00 0.00 72.50 70.61 3ktg s THR 5 CO 0.56 -0.08 0.14 -0.69 -0.54 0.00 0.00 174.62 174.01 3ktg s VAL 6 N -2.30 -0.07 -0.04 2.29 1.01 -0.15 -4.79 120.40 116.34 3ktg s VAL 6 Ca 0.49 -0.81 -0.28 0.00 0.00 0.00 0.00 61.98 61.38 3ktg s VAL 6 Cb -0.08 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 3ktg s VAL 6 CO 0.31 -0.73 0.89 0.27 0.00 0.00 0.00 175.10 175.83 3ktg s ILE 7 N 2.05 4.92 -0.37 2.22 -4.36 -1.26 -0.13 121.20 124.26 3ktg s ILE 7 Ca 0.10 1.84 -0.07 0.00 -0.26 0.00 0.00 60.65 62.25 3ktg s ILE 7 Cb -0.16 -4.22 0.06 0.00 1.25 0.00 0.00 42.46 39.38 3ktg s ILE 7 CO -0.34 0.16 0.16 0.00 0.24 0.00 0.00 174.94 175.16 3ktg s ALA 16 N 1.14 3.13 0.30 2.27 0.00 -1.26 -5.18 121.76 122.17 3ktg s ALA 16 Ca 0.46 -1.94 0.01 0.00 0.00 0.00 0.00 51.96 50.49 3ktg s ALA 16 Cb -0.19 -2.40 0.01 0.00 0.00 0.00 0.00 23.12 20.53 3ktg s ALA 16 CO 0.23 -1.47 0.06 0.66 0.00 0.00 0.00 175.76 175.23 3ktg n TYR 17 N 4.82 0.29 -4.93 0.00 4.01 0.81 -5.15 117.16 117.02 3ktg n TYR 17 Ca -0.11 -1.42 -0.31 0.00 -0.16 0.00 0.00 57.90 55.90 3ktg n TYR 17 Cb 0.44 -0.21 -0.14 0.00 -0.31 0.00 0.00 39.34 39.12 3ktg n TYR 17 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3ktg s ASP 18 N -2.67 3.58 0.29 7.72 2.15 -1.26 -0.98 116.67 125.50 3ktg s ASP 18 Ca 0.04 -0.39 0.02 0.00 0.43 0.00 0.00 52.55 52.65 3ktg s ASP 18 Cb -0.00 -0.56 0.73 0.00 -0.30 0.00 0.00 42.92 42.78 3ktg s ASP 18 CO 0.03 0.30 1.62 -0.29 -0.17 0.00 0.00 175.17 176.65 3ktg h ILE 19 N 4.24 0.21 -0.01 4.11 6.09 -1.67 0.56 117.51 131.05 3ktg h ILE 19 Ca -0.46 -0.04 -0.17 0.00 -1.37 0.00 0.00 64.86 62.82 3ktg h ILE 19 Cb 1.14 0.08 -0.01 0.00 0.47 0.00 0.00 36.82 38.50 3ktg h ILE 19 CO 0.48 0.02 -0.77 1.88 -3.07 0.00 0.00 178.15 176.69 3ktg h TYR 20 N 0.12 0.20 -0.08 2.19 0.05 -1.96 -2.22 116.97 115.28 3ktg h TYR 20 Ca 0.57 -0.10 -0.10 0.00 0.05 0.00 0.00 58.73 59.14 3ktg h TYR 20 Cb 1.17 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.87 3ktg h TYR 20 CO -0.34 0.86 -0.42 0.77 -1.05 0.00 0.00 178.16 177.97 3ktg h SER 21 N 0.09 0.18 0.21 3.88 0.02 -0.95 0.18 113.55 117.16 3ktg h SER 21 Ca -0.02 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 3ktg h SER 21 Cb 1.35 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.85 3ktg h SER 21 CO 0.11 0.59 -0.10 -0.09 -1.14 0.00 0.00 176.83 176.20 3ktg h ARG 22 N 0.15 -0.27 -0.18 3.45 9.65 0.24 -1.63 114.38 125.79 3ktg h ARG 22 Ca 0.01 0.02 -0.07 0.00 -1.10 0.00 0.00 59.98 58.84 3ktg h ARG 22 Cb 0.81 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.44 3ktg h ARG 22 CO 0.06 -0.04 -0.20 -0.07 2.80 0.00 0.00 179.97 182.53 3ktg h LEU 23 N -0.47 0.29 -0.77 3.80 4.07 -1.19 -2.15 115.31 118.90 3ktg h LEU 23 Ca -0.03 -0.08 0.03 0.00 0.08 0.00 0.00 57.88 57.89 3ktg h LEU 23 Cb 0.36 -0.08 -0.05 0.00 1.08 0.00 0.00 40.66 41.97 3ktg h LEU 23 CO 0.05 0.51 0.48 0.25 -1.08 0.00 0.00 178.44 178.65 3ktg h LEU 24 N 0.28 0.80 -2.01 1.67 5.85 -0.37 0.10 115.31 121.63 3ktg h LEU 24 Ca 0.05 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.83 3ktg h LEU 24 Cb 0.51 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3ktg h LEU 24 CO 0.03 0.55 0.38 0.50 -0.34 0.00 0.00 178.44 179.56 3ktg h LYS 25 N 0.94 0.00 -0.51 1.25 3.64 -0.60 0.56 116.57 121.85 3ktg h LYS 25 Ca 0.31 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.60 3ktg h LYS 25 Cb 0.03 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 3ktg h LYS 25 CO -0.12 0.00 0.08 -0.25 -2.27 0.00 0.00 179.45 176.90 3ktg n ASP 26 N -3.35 4.58 -2.99 4.20 8.00 0.30 -4.94 116.55 122.35 3ktg n ASP 26 Ca 0.03 -3.13 -0.18 0.00 0.71 0.00 0.00 54.79 52.22 3ktg n ASP 26 Cb 0.49 -0.66 0.07 0.00 -0.02 0.00 0.00 41.12 41.00 3ktg n ASP 26 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3ktg n ARG 27 N -0.15 -6.19 -3.99 -1.24 1.74 0.20 -4.90 116.66 102.12 3ktg n ARG 27 Ca 0.31 0.67 -0.30 0.00 -0.77 0.00 0.00 57.85 57.76 3ktg n ARG 27 Cb 1.15 -5.23 -0.16 0.00 -1.02 0.00 0.00 32.46 27.20 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 -3.27 1.56 -0.11 0.55 1.01 -0.80 -1.20 121.20 118.95 3ktg s ILE 28 Ca 0.36 -0.82 -0.03 0.00 0.00 0.00 0.00 60.65 60.16 3ktg s ILE 28 Cb -0.16 -1.58 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 3ktg s ILE 28 CO 0.59 0.28 0.00 -0.63 0.00 0.00 0.00 174.94 175.18 3ktg s ILE 29 N 1.46 4.30 -0.41 2.92 1.01 -0.26 -3.09 121.20 127.13 3ktg s ILE 29 Ca 0.01 -0.24 -0.05 0.00 0.00 0.00 0.00 60.65 60.37 3ktg s ILE 29 Cb -0.15 -2.84 0.09 0.00 0.01 0.00 0.00 42.46 39.58 3ktg s ILE 29 CO -0.09 0.57 0.21 -0.04 0.00 0.00 0.00 174.94 175.59 3ktg s MET 30 N -0.48 2.29 -0.79 2.79 -1.94 -1.26 -1.19 119.30 118.72 3ktg s MET 30 Ca 0.09 -1.64 -0.19 0.00 -1.71 0.00 0.00 55.69 52.24 3ktg s MET 30 Cb -0.12 -3.64 0.13 0.00 2.01 0.00 0.00 34.83 33.21 3ktg s MET 30 CO 0.02 -1.00 0.94 -1.17 -0.01 0.00 0.00 175.02 173.80 3ktg s LEU 31 N 1.27 5.30 -0.26 -0.03 0.20 -0.20 -4.86 118.68 120.09 3ktg s LEU 31 Ca 0.05 -1.83 0.12 0.00 0.69 0.00 0.00 54.13 53.16 3ktg s LEU 31 Cb -0.23 -2.35 0.46 0.00 -0.43 0.00 0.00 46.19 43.64 3ktg s LEU 31 CO -0.02 -1.06 1.18 0.61 -0.29 0.00 0.00 176.35 176.77 3ktg n GLY 32 N 5.18 5.07 3.58 7.98 0.00 -1.26 -0.88 105.19 124.87 3ktg n GLY 32 Ca 0.10 -2.08 -0.09 0.00 0.00 0.00 0.00 46.02 43.95 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 -3.52 -0.10 0.32 1.61 1.04 -1.22 -4.80 113.70 107.03 3ktg s SER 33 Ca 0.44 -0.87 -0.29 0.00 0.48 0.00 0.00 55.95 55.70 3ktg s SER 33 Cb 0.39 0.58 -0.12 0.00 0.10 0.00 0.00 66.02 66.97 3ktg s SER 33 CO -0.00 -1.13 1.45 0.00 0.98 0.00 0.00 173.24 174.55 3ktg n ALA 34 N -0.37 1.95 -2.58 5.32 0.00 -1.26 -4.59 120.51 118.98 3ktg n ALA 34 Ca -0.03 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.35 3ktg n ALA 34 Cb 0.62 -2.37 -0.02 0.00 0.00 0.00 0.00 19.45 17.68 3ktg n ALA 34 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ktg s ILE 35 N -0.65 4.25 0.40 0.00 1.01 0.08 -4.85 121.20 121.43 3ktg s ILE 35 Ca 0.59 1.33 0.04 0.00 0.00 0.00 0.00 60.65 62.61 3ktg s ILE 35 Cb -0.53 -4.49 -0.02 0.00 0.01 0.00 0.00 42.46 37.42 3ktg s ILE 35 CO 0.57 -0.82 0.15 1.51 0.00 0.00 0.00 174.94 176.35 3ktg s ASP 36 N 2.41 2.61 0.36 3.58 1.47 -1.26 -0.79 116.67 125.06 3ktg s ASP 36 Ca 0.49 -1.68 0.11 0.00 1.18 0.00 0.00 52.55 52.65 3ktg s ASP 36 Cb -0.10 0.51 0.90 0.00 -0.34 0.00 0.00 42.92 43.90 3ktg s ASP 36 CO 0.27 -0.95 1.83 0.44 0.68 0.00 0.00 175.17 177.44 3ktg h ASP 37 N 1.84 0.60 0.88 2.11 3.45 -1.95 0.16 116.42 123.52 3ktg h ASP 37 Ca -0.34 0.06 -0.04 0.00 0.43 0.00 0.00 57.03 57.14 3ktg h ASP 37 Cb 1.27 -0.05 0.01 0.00 -0.56 0.00 0.00 39.33 39.99 3ktg h ASP 37 CO 0.54 0.25 -0.42 -1.13 -1.57 0.00 0.00 179.24 176.90 3ktg h ASN 38 N 0.60 -1.00 -0.21 6.45 -0.73 -1.97 -1.40 115.58 117.33 3ktg h ASN 38 Ca 0.51 0.03 0.05 0.00 1.87 0.00 0.00 56.30 58.75 3ktg h ASN 38 Cb 0.98 0.26 -0.05 0.00 0.27 0.00 0.00 38.32 39.78 3ktg h ASN 38 CO -0.25 -0.66 -0.09 0.58 -0.37 0.00 0.00 177.43 176.63 3ktg h VAL 39 N -1.27 0.69 -0.72 2.57 2.07 -1.70 -1.57 116.25 116.32 3ktg h VAL 39 Ca -0.12 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.53 3ktg h VAL 39 Cb 0.91 0.69 -0.09 0.00 -1.52 0.00 0.00 31.29 31.28 3ktg h VAL 39 CO 0.20 0.00 0.27 0.00 0.02 0.00 0.00 177.57 178.06 3ktg h ALA 40 N 1.12 0.99 -0.38 1.67 0.00 -0.68 0.14 119.26 122.11 3ktg h ALA 40 Ca 0.11 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 3ktg h ALA 40 Cb 0.23 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3ktg h ALA 40 CO -0.25 -0.21 -0.09 -0.97 0.00 0.00 0.00 179.25 177.73 3ktg h ASN 41 N 0.42 0.63 -0.10 0.00 -1.24 -0.33 0.99 115.58 115.95 3ktg h ASN 41 Ca 0.39 -0.17 -0.05 0.00 0.71 0.00 0.00 56.30 57.18 3ktg h ASN 41 Cb 0.57 -0.17 -0.00 0.00 0.73 0.00 0.00 38.32 39.45 3ktg h ASN 41 CO -0.39 0.76 -0.14 -1.28 -1.29 0.00 0.00 177.43 175.09 3ktg h SER 42 N 0.60 0.30 -0.07 1.15 0.87 -0.29 -1.86 113.55 114.24 3ktg h SER 42 Ca 0.11 -0.52 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 3ktg h SER 42 Cb 0.51 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.38 3ktg h SER 42 CO 0.03 0.76 0.05 0.40 -0.53 0.00 0.00 176.83 177.54 3ktg h ILE 43 N -0.15 1.03 -0.62 2.23 1.08 -0.63 -0.74 117.51 119.71 3ktg h ILE 43 Ca 0.01 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.42 3ktg h ILE 43 Cb 0.70 0.94 -0.03 0.00 -3.07 0.00 0.00 36.82 35.36 3ktg h ILE 43 CO 0.03 0.03 0.39 0.58 -0.69 0.00 0.00 178.15 178.49 3ktg h VAL 44 N 0.09 1.17 -0.45 1.67 2.07 -0.85 -1.89 116.25 118.06 3ktg h VAL 44 Ca 0.03 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 3ktg h VAL 44 Cb 0.00 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 3ktg h VAL 44 CO -0.01 0.17 0.27 0.28 0.02 0.00 0.00 177.57 178.31 3ktg h SER 45 N 0.84 0.53 -0.80 0.57 0.02 -1.08 -0.50 113.55 113.13 3ktg h SER 45 Ca 0.23 -0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.14 3ktg h SER 45 Cb -0.06 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.30 3ktg h SER 45 CO -0.05 0.43 0.53 1.56 -1.14 0.00 0.00 176.83 178.16 3ktg h GLN 46 N 0.59 1.05 -0.18 3.45 4.20 -0.90 0.96 115.11 124.27 3ktg h GLN 46 Ca 0.16 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 3ktg h GLN 46 Cb -0.01 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.52 3ktg h GLN 46 CO -0.03 0.69 0.06 -0.07 -0.67 0.00 0.00 178.83 178.82 3ktg h LEU 47 N 1.08 0.26 -0.75 1.46 3.38 -0.96 0.02 115.31 119.80 3ktg h LEU 47 Ca 0.29 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3ktg h LEU 47 Cb -0.12 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 3ktg h LEU 47 CO -0.07 0.38 0.45 -0.07 0.09 0.00 0.00 178.44 179.22 3ktg h LEU 48 N 0.13 0.91 0.61 1.67 3.38 -0.77 -0.66 115.31 120.58 3ktg h LEU 48 Ca 0.06 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3ktg h LEU 48 Cb 0.21 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3ktg h LEU 48 CO -0.00 0.71 -0.37 0.15 0.09 0.00 0.00 178.44 179.02 3ktg h PHE 49 N 1.03 -0.98 -0.90 1.13 3.57 -0.57 -1.88 116.94 118.35 3ktg h PHE 49 Ca 0.27 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.85 3ktg h PHE 49 Cb -0.02 0.35 -0.06 0.00 2.79 0.00 0.00 35.95 39.00 3ktg h PHE 49 CO -0.01 -0.56 0.58 -0.07 -2.23 0.00 0.00 178.31 176.02 3ktg h LEU 50 N -0.92 0.84 -1.36 0.59 3.38 -0.81 0.51 115.31 117.54 3ktg h LEU 50 Ca -0.07 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 3ktg h LEU 50 Cb 0.75 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3ktg h LEU 50 CO 0.08 0.51 -0.32 0.00 0.09 0.00 0.00 178.44 178.79 3ktg h ALA 51 N 1.54 1.44 -0.00 1.53 0.00 -0.94 -1.29 119.26 121.55 3ktg h ALA 51 Ca 0.41 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3ktg h ALA 51 Cb 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3ktg h ALA 51 CO -0.17 0.40 -0.07 0.00 0.00 0.00 0.00 179.25 179.42 3ktg h ALA 52 N 1.68 0.01 -0.50 0.00 0.00 -0.30 -2.63 119.26 117.53 3ktg h ALA 52 Ca -0.00 -0.41 0.10 0.00 0.00 0.00 0.00 54.91 54.60 3ktg h ALA 52 Cb 0.58 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.27 3ktg h ALA 52 CO 0.04 -0.06 -0.17 0.93 0.00 0.00 0.00 179.25 179.99 3ktg h GLU 53 N -0.70 -0.05 -1.25 0.00 4.39 -0.69 -3.40 114.58 112.87 3ktg h GLU 53 Ca -0.01 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 3ktg h GLU 53 Cb 0.84 0.01 -0.24 0.00 -0.10 0.00 0.00 28.75 29.26 3ktg h GLU 53 CO 0.01 -0.04 -0.43 0.34 -1.16 0.00 0.00 179.01 177.74 3ktg s ASP 54 N -5.19 -0.91 0.15 1.42 -1.08 -0.51 -5.01 116.67 105.54 3ktg s ASP 54 Ca -0.14 0.02 0.17 0.00 -0.52 0.00 0.00 52.55 52.08 3ktg s ASP 54 Cb 0.16 1.71 0.76 0.00 -1.46 0.00 0.00 42.92 44.10 3ktg s ASP 54 CO 0.71 -0.32 1.53 -0.81 0.52 0.00 0.00 175.17 176.80 3ktg n PRO 55 N 5.40 0.10 -0.06 4.34 -0.04 -0.99 -3.50 135.00 140.24 3ktg n PRO 55 Ca 0.03 0.41 -0.03 0.00 -0.04 0.00 0.00 63.50 63.87 3ktg n PRO 55 Cb 0.52 -1.72 -0.01 0.00 -0.04 0.00 0.00 33.50 32.26 3ktg n PRO 55 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3ktg h GLU 56 N 0.00 0.00 -6.72 0.54 4.39 -1.93 -3.14 114.58 107.72 3ktg h GLU 56 Ca 0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 3ktg h GLU 56 Cb 0.22 0.00 0.16 0.00 -0.10 0.00 0.00 28.75 29.03 3ktg h GLU 56 CO 0.00 0.00 0.02 1.63 -1.16 0.00 0.00 179.01 179.50 3ktg n LYS 57 N -4.62 0.90 -2.52 2.33 4.76 -1.23 -4.73 118.16 113.05 3ktg n LYS 57 Ca -0.05 0.34 -0.25 0.00 -2.87 0.00 0.00 58.31 55.48 3ktg n LYS 57 Cb 0.17 -2.04 0.03 0.00 -1.84 0.00 0.00 35.03 31.35 3ktg n LYS 57 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3ktg s GLU 58 N -2.46 2.86 0.02 1.97 -1.05 -1.26 -4.56 118.70 114.22 3ktg s GLU 58 Ca 0.72 -0.18 0.08 0.00 -0.15 0.00 0.00 54.97 55.44 3ktg s GLU 58 Cb -0.45 -2.34 -0.02 0.00 -0.44 0.00 0.00 34.13 30.88 3ktg s GLU 58 CO 0.51 -0.66 -0.25 0.42 0.95 0.00 0.00 175.26 176.23 3ktg s ILE 59 N -2.91 1.98 -0.22 1.83 1.01 -0.69 -4.90 121.20 117.30 3ktg s ILE 59 Ca 0.54 -1.23 -0.04 0.00 0.00 0.00 0.00 60.65 59.91 3ktg s ILE 59 Cb -0.10 -1.68 -0.01 0.00 0.01 0.00 0.00 42.46 40.68 3ktg s ILE 59 CO 0.43 0.40 -0.03 -0.44 0.00 0.00 0.00 174.94 175.30 3ktg s SER 60 N -0.99 4.37 -0.36 3.58 0.01 -0.34 -0.12 113.70 119.86 3ktg s SER 60 Ca 0.10 -0.37 -0.06 0.00 1.31 0.00 0.00 55.95 56.93 3ktg s SER 60 Cb -0.10 -1.75 0.06 0.00 0.21 0.00 0.00 66.02 64.44 3ktg s SER 60 CO 0.01 -0.01 0.13 -0.22 0.41 0.00 0.00 173.24 173.56 3ktg s LEU 61 N 1.44 4.55 0.08 2.44 2.96 0.13 -1.10 118.68 129.17 3ktg s LEU 61 Ca 0.05 -1.34 -0.29 0.00 -0.22 0.00 0.00 54.13 52.33 3ktg s LEU 61 Cb -0.14 -1.87 -0.05 0.00 0.50 0.00 0.00 46.19 44.63 3ktg s LEU 61 CO -0.02 -0.39 0.92 -0.31 -1.32 0.00 0.00 176.35 175.23 3ktg s TYR 62 N 1.35 3.77 -0.11 5.38 1.51 -0.33 -1.62 117.35 127.30 3ktg s TYR 62 Ca 0.00 1.71 0.03 0.00 -1.01 0.00 0.00 57.07 57.80 3ktg s TYR 62 Cb -0.21 -3.01 0.00 0.00 -0.11 0.00 0.00 41.96 38.64 3ktg s TYR 62 CO 0.01 0.19 -0.22 0.42 -1.11 0.00 0.00 175.55 174.83 3ktg s ILE 63 N 0.16 2.00 -0.48 2.71 1.01 1.00 -1.04 121.20 126.55 3ktg s ILE 63 Ca 0.46 -0.97 0.06 0.00 0.00 0.00 0.00 60.65 60.21 3ktg s ILE 63 Cb -0.22 -1.74 0.18 0.00 0.01 0.00 0.00 42.46 40.69 3ktg s ILE 63 CO 0.28 0.54 0.63 0.21 0.00 0.00 0.00 174.94 176.60 3ktg s ASN 64 N 0.55 -0.79 0.02 3.58 2.47 -0.06 -1.14 114.94 119.57 3ktg s ASN 64 Ca -0.14 -1.84 -0.18 0.00 0.42 0.00 0.00 52.86 51.12 3ktg s ASN 64 Cb -0.17 1.41 0.03 0.00 -1.45 0.00 0.00 41.25 41.08 3ktg s ASN 64 CO 0.04 -0.10 0.39 -0.94 -3.72 0.00 0.00 177.10 172.77 3ktg s SER 65 N 0.89 -0.27 0.00 -4.21 1.04 -0.57 -3.45 113.70 107.13 3ktg s SER 65 Ca 0.28 0.07 0.03 0.00 0.48 0.00 0.00 55.95 56.80 3ktg s SER 65 Cb -0.01 0.39 0.14 0.00 0.10 0.00 0.00 66.02 66.64 3ktg s SER 65 CO -0.08 -0.58 1.09 -0.81 0.98 0.00 0.00 173.24 173.85 3ktg n PRO 66 N 0.81 1.02 0.00 4.02 -0.04 -1.26 -2.21 135.00 137.34 3ktg n PRO 66 Ca -0.20 -0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 3ktg n PRO 66 Cb 0.58 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 33.00 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 0.55 -1.71 0.00 0.55 0.00 -1.22 -4.49 105.19 98.87 3ktg n GLY 67 Ca 0.02 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.74 3.68 -0.02 0.00 -1.26 -0.74 105.19 106.11 3ktg n GLY 68 Ca 0.00 -0.18 -0.44 0.00 0.00 0.00 0.00 46.02 45.40 3ktg n GLY 68 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ktg n SER 69 N 0.00 2.82 -0.02 1.61 2.88 0.03 -4.76 113.62 116.17 3ktg n SER 69 Ca 0.00 1.15 -0.12 0.00 -1.33 0.00 0.00 58.87 58.57 3ktg n SER 69 Cb 0.00 -1.45 -0.07 0.00 -0.75 0.00 0.00 64.21 61.94 3ktg n SER 69 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 3ktg h ILE 70 N 2.98 1.25 -0.84 2.46 1.08 -1.97 -1.82 117.51 120.66 3ktg h ILE 70 Ca -0.45 -0.79 -0.03 0.00 -0.39 0.00 0.00 64.86 63.19 3ktg h ILE 70 Cb 1.27 1.63 -0.04 0.00 -3.07 0.00 0.00 36.82 36.62 3ktg h ILE 70 CO 0.74 0.22 0.41 0.71 -0.69 0.00 0.00 178.15 179.53 3ktg h THR 71 N -0.15 1.26 -0.25 -0.27 1.35 -1.99 -0.67 112.91 112.19 3ktg h THR 71 Ca 0.02 -0.72 -0.02 0.00 -0.55 0.00 0.00 66.41 65.14 3ktg h THR 71 Cb 0.35 0.18 -0.01 0.00 -1.73 0.00 0.00 68.15 66.94 3ktg h THR 71 CO 0.00 0.31 0.08 0.00 -0.25 0.00 0.00 175.52 175.66 3ktg h ALA 72 N 1.25 0.32 -0.05 6.62 0.00 -1.90 -2.21 119.26 123.29 3ktg h ALA 72 Ca 0.29 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3ktg h ALA 72 Cb 0.11 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3ktg h ALA 72 CO -0.04 -0.05 -0.22 0.78 0.00 0.00 0.00 179.25 179.73 3ktg h GLY 73 N 0.23 -0.27 1.95 0.00 0.00 -0.81 -1.68 103.07 102.48 3ktg h GLY 73 Ca 0.08 0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.68 3ktg h GLY 73 CO -0.00 -0.19 0.02 -0.33 0.00 0.00 0.00 176.54 176.04 3ktg h MET 74 N -0.32 0.00 -0.17 4.80 2.86 -1.03 0.16 114.93 121.23 3ktg h MET 74 Ca 0.08 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3ktg h MET 74 Cb 0.42 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 3ktg h MET 74 CO -0.23 0.00 0.10 0.00 1.06 0.00 0.00 176.91 177.83 3ktg h ALA 75 N 1.98 0.21 -0.32 6.32 0.00 -0.67 0.41 119.26 127.20 3ktg h ALA 75 Ca 0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3ktg h ALA 75 Cb 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3ktg h ALA 75 CO -0.00 -0.32 0.05 0.82 0.00 0.00 0.00 179.25 179.80 3ktg h ILE 76 N 0.21 1.23 -0.16 0.00 2.04 -0.70 -2.18 117.51 117.95 3ktg h ILE 76 Ca 0.07 -0.81 0.04 0.00 1.00 0.00 0.00 64.86 65.16 3ktg h ILE 76 Cb -0.00 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 3ktg h ILE 76 CO -0.03 0.27 -0.07 0.22 0.00 0.00 0.00 178.15 178.53 3ktg h TYR 77 N 0.36 -0.16 -0.28 1.37 3.20 -0.31 -1.16 116.97 119.99 3ktg h TYR 77 Ca 0.10 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.90 3ktg h TYR 77 Cb 0.34 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 3ktg h TYR 77 CO 0.02 -0.11 -0.17 -0.44 -1.64 0.00 0.00 178.16 175.82 3ktg h ASP 78 N -0.05 0.48 -0.54 -2.11 3.45 -0.16 -2.78 116.42 114.71 3ktg h ASP 78 Ca 0.09 -0.14 -0.12 0.00 0.43 0.00 0.00 57.03 57.29 3ktg h ASP 78 Cb 0.18 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 38.80 3ktg h ASP 78 CO -0.19 0.67 -0.12 0.74 -1.57 0.00 0.00 179.24 178.77 3ktg h THR 79 N 0.44 1.27 -0.47 0.35 2.02 -0.99 0.72 112.91 116.26 3ktg h THR 79 Ca 0.08 -1.28 0.07 0.00 0.77 0.00 0.00 66.41 66.04 3ktg h THR 79 Cb 0.56 0.98 -0.06 0.00 -1.74 0.00 0.00 68.15 67.90 3ktg h THR 79 CO 0.04 0.45 0.13 0.24 0.37 0.00 0.00 175.52 176.75 3ktg h MET 80 N 0.91 0.27 0.00 6.66 2.86 -0.96 -1.63 114.93 123.05 3ktg h MET 80 Ca 0.14 -0.02 -0.14 0.00 -2.06 0.00 0.00 59.70 57.62 3ktg h MET 80 Cb 0.69 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 3ktg h MET 80 CO 0.05 0.18 -0.67 1.96 1.06 0.00 0.00 176.91 179.49 3ktg h GLN 81 N 0.28 0.00 0.70 1.72 1.08 -1.40 -3.35 115.11 114.13 3ktg h GLN 81 Ca 0.23 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.39 3ktg h GLN 81 Cb 0.27 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.71 3ktg h GLN 81 CO -0.27 0.67 -0.34 0.35 -0.95 0.00 0.00 178.83 178.29 3ktg h PHE 82 N 0.00 -0.87 -4.10 2.96 3.57 -0.01 -3.45 116.94 115.04 3ktg h PHE 82 Ca -0.01 -0.02 -0.54 0.00 3.53 0.00 0.00 57.97 60.94 3ktg h PHE 82 Cb 1.42 0.29 0.12 0.00 2.79 0.00 0.00 35.95 40.57 3ktg h PHE 82 CO 0.00 -0.51 0.48 0.96 -2.23 0.00 0.00 178.31 177.01 3ktg s ILE 83 N -5.36 2.48 0.26 1.41 -4.36 -0.69 -4.94 121.20 109.98 3ktg s ILE 83 Ca -0.16 0.30 -0.04 0.00 -0.26 0.00 0.00 60.65 60.48 3ktg s ILE 83 Cb 0.02 -3.11 0.20 0.00 1.25 0.00 0.00 42.46 40.82 3ktg s ILE 83 CO 0.54 -0.07 1.87 0.50 0.24 0.00 0.00 174.94 178.02 3ktg h LYS 84 N 0.78 1.10 -6.89 0.37 3.64 -1.87 -3.44 116.57 110.26 3ktg h LYS 84 Ca -0.51 -0.14 -0.56 0.00 -1.27 0.00 0.00 60.65 58.17 3ktg h LYS 84 Cb 1.31 -0.21 0.12 0.00 -0.41 0.00 0.00 32.23 33.04 3ktg h LYS 84 CO 0.54 0.84 0.57 -2.30 -2.27 0.00 0.00 179.45 176.83 3ktg n PRO 85 N -4.33 2.04 -2.94 1.90 -0.02 -1.19 -4.95 135.00 125.52 3ktg n PRO 85 Ca 0.08 0.73 -0.40 0.00 -2.02 0.00 0.00 63.50 61.88 3ktg n PRO 85 Cb 0.13 -2.48 -0.04 0.00 -0.02 0.00 0.00 33.50 31.08 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 -2.31 4.49 -0.25 -0.52 1.02 -1.26 -4.90 119.74 116.00 3ktg s LYS 86 Ca 0.61 1.07 -0.10 0.00 0.02 0.00 0.00 55.97 57.57 3ktg s LYS 86 Cb -0.48 -3.43 -0.05 0.00 -0.52 0.00 0.00 37.83 33.34 3ktg s LYS 86 CO 0.58 0.08 0.16 0.08 -0.92 0.00 0.00 175.35 175.33 3ktg s VAL 87 N 0.68 5.30 -0.16 3.17 1.01 -1.26 -1.70 120.40 127.44 3ktg s VAL 87 Ca 0.42 0.16 -0.09 0.00 0.00 0.00 0.00 61.98 62.47 3ktg s VAL 87 Cb -0.19 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 3ktg s VAL 87 CO 0.22 0.32 0.16 -0.55 0.00 0.00 0.00 175.10 175.25 3ktg s SER 88 N 1.25 6.32 0.02 3.32 0.15 0.83 0.06 113.70 125.64 3ktg s SER 88 Ca 0.07 0.37 0.02 0.00 0.70 0.00 0.00 55.95 57.12 3ktg s SER 88 Cb -0.14 -2.10 -0.04 0.00 -1.71 0.00 0.00 66.02 62.03 3ktg s SER 88 CO 0.06 0.26 -0.02 0.42 1.20 0.00 0.00 173.24 175.16 3ktg s THR 89 N -0.18 4.00 -0.12 6.45 -4.23 -0.96 0.17 115.64 120.77 3ktg s THR 89 Ca 0.12 -0.71 -0.03 0.00 -1.18 0.00 0.00 61.69 59.89 3ktg s THR 89 Cb -0.12 -2.79 0.04 0.00 1.34 0.00 0.00 72.50 70.98 3ktg s THR 89 CO 0.01 0.34 0.05 -0.63 -0.54 0.00 0.00 174.62 173.85 3ktg s ILE 90 N -1.10 0.17 -0.23 2.99 1.01 -0.64 -0.03 121.20 123.36 3ktg s ILE 90 Ca 0.20 -0.04 -0.26 0.00 0.00 0.00 0.00 60.65 60.54 3ktg s ILE 90 Cb -0.11 -0.57 0.00 0.00 0.01 0.00 0.00 42.46 41.79 3ktg s ILE 90 CO 0.11 -0.02 0.91 0.00 0.00 0.00 0.00 174.94 175.94 3ktg s ILE 92 N 2.93 1.55 0.00 0.00 2.07 -0.29 -2.44 121.20 125.02 3ktg s ILE 92 Ca 0.38 -0.76 0.00 0.00 -1.41 0.00 0.00 60.65 58.86 3ktg s ILE 92 Cb -0.15 -1.34 0.00 0.00 0.13 0.00 0.00 42.46 41.10 3ktg s ILE 92 CO 0.07 0.44 0.00 0.61 -1.91 0.00 0.00 174.94 174.16 3ktg n GLY 93 N 3.30 1.32 2.92 1.50 0.00 -1.26 -4.05 105.19 108.93 3ktg n GLY 93 Ca -0.19 0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 0.08 -0.50 1.61 -2.45 -1.26 -0.84 119.30 115.94 3ktg s MET 94 Ca 0.00 0.25 0.04 0.00 -1.25 0.00 0.00 55.69 54.72 3ktg s MET 94 Cb 0.00 -0.09 0.13 0.00 1.25 0.00 0.00 34.83 36.12 3ktg s MET 94 CO 0.00 -0.10 0.25 0.00 1.05 0.00 0.00 175.02 176.22 3ktg s ALA 95 N 0.69 3.13 0.23 4.11 0.00 -0.18 -1.51 121.76 128.23 3ktg s ALA 95 Ca -0.05 -3.15 0.07 0.00 0.00 0.00 0.00 51.96 48.82 3ktg s ALA 95 Cb -0.07 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.90 3ktg s ALA 95 CO -0.03 -2.01 0.17 0.00 0.00 0.00 0.00 175.76 173.89 3ktg s ALA 96 N -0.16 3.56 0.00 0.00 0.00 -0.94 -2.33 121.76 121.90 3ktg s ALA 96 Ca 0.17 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.76 3ktg s ALA 96 Cb -0.26 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 21.57 3ktg s ALA 96 CO -0.00 0.32 0.00 0.45 0.00 0.00 0.00 175.76 176.53 3ktg n SER 97 N -0.93 0.00 0.25 0.00 2.88 -0.23 0.79 113.62 116.38 3ktg n SER 97 Ca -0.08 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.64 3ktg n SER 97 Cb 0.57 0.00 0.87 0.00 -0.75 0.00 0.00 64.21 64.90 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 -0.43 -1.46 2.07 -1.86 0.13 114.93 113.39 3ktg h MET 98 Ca 0.00 0.00 -0.09 0.00 -2.07 0.00 0.00 59.70 57.54 3ktg h MET 98 Cb 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.72 3ktg h MET 98 CO 0.00 0.00 -0.08 0.78 1.07 0.00 0.00 176.91 178.68 3ktg h GLY 99 N 0.00 0.87 1.25 8.32 0.00 0.12 -0.18 103.07 113.45 3ktg h GLY 99 Ca 0.06 -0.70 -0.12 0.00 0.00 0.00 0.00 47.33 46.57 3ktg h GLY 99 CO -0.00 0.64 -0.21 0.00 0.00 0.00 0.00 176.54 176.97 3ktg h ALA 100 N 0.87 0.82 -0.61 3.60 0.00 -0.59 0.26 119.26 123.61 3ktg h ALA 100 Ca 0.11 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3ktg h ALA 100 Cb 0.60 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3ktg h ALA 100 CO 0.04 0.65 0.40 0.35 0.00 0.00 0.00 179.25 180.69 3ktg h PHE 101 N 0.75 0.77 -0.40 0.00 3.57 -1.11 -1.30 116.94 119.22 3ktg h PHE 101 Ca 0.10 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.47 3ktg h PHE 101 Cb 0.75 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 3ktg h PHE 101 CO 0.04 0.49 -0.32 -0.07 -2.23 0.00 0.00 178.31 176.23 3ktg h LEU 102 N 0.83 0.95 -0.31 0.59 3.38 -0.63 -2.55 115.31 117.57 3ktg h LEU 102 Ca 0.22 -0.40 0.06 0.00 0.09 0.00 0.00 57.88 57.85 3ktg h LEU 102 Cb -0.09 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.34 3ktg h LEU 102 CO -0.05 1.18 -0.07 0.25 0.09 0.00 0.00 178.44 179.84 3ktg h LEU 103 N 0.76 -0.27 0.00 1.67 5.85 0.03 0.29 115.31 123.63 3ktg h LEU 103 Ca 0.08 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3ktg h LEU 103 Cb 0.89 0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3ktg h LEU 103 CO 0.08 -0.10 0.00 0.00 -0.34 0.00 0.00 178.44 178.08 3ktg n ALA 104 N -2.56 1.81 1.04 1.25 0.00 -0.54 -2.85 120.51 118.67 3ktg n ALA 104 Ca 0.00 -0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.51 3ktg n ALA 104 Cb 0.17 -1.26 0.44 0.00 0.00 0.00 0.00 19.45 18.80 3ktg n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ktg n ALA 105 N -1.40 2.95 -0.81 0.00 0.00 0.09 -4.88 120.51 116.45 3ktg n ALA 105 Ca 0.06 -0.24 -0.30 0.00 0.00 0.00 0.00 53.44 52.96 3ktg n ALA 105 Cb 0.16 -1.29 0.18 0.00 0.00 0.00 0.00 19.45 18.50 3ktg n ALA 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ktg s GLY 106 N -2.95 1.62 0.13 0.00 0.00 -1.13 -4.87 107.32 100.12 3ktg s GLY 106 Ca 0.14 0.18 -0.35 0.00 0.00 0.00 0.00 44.72 44.69 3ktg s GLY 106 CO 0.60 0.70 1.40 -2.21 0.00 0.00 0.00 173.10 173.60 3ktg n GLU 107 N -4.32 1.53 -1.65 2.90 4.07 0.11 -4.78 120.64 118.49 3ktg n GLU 107 Ca 0.08 0.55 -0.44 0.00 -0.06 0.00 0.00 57.16 57.28 3ktg n GLU 107 Cb 0.54 -2.22 -0.04 0.00 -0.06 0.00 0.00 31.44 29.66 3ktg n GLU 107 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3ktg n LYS 108 N 2.69 2.52 0.00 5.31 4.81 -1.26 -0.13 118.16 132.10 3ktg n LYS 108 Ca 0.17 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.51 3ktg n LYS 108 Cb 0.24 -2.94 0.00 0.00 0.02 0.00 0.00 35.03 32.35 3ktg n LYS 108 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ktg n GLY 109 N 4.75 1.63 0.79 3.14 0.00 -1.26 -4.92 105.19 109.32 3ktg n GLY 109 Ca 0.23 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.27 2.02 -3.67 1.61 4.76 0.81 -4.84 118.16 117.58 3ktg n LYS 110 Ca 0.00 -2.98 -0.37 0.00 -2.87 0.00 0.00 58.31 52.09 3ktg n LYS 110 Cb 0.00 -1.74 -0.10 0.00 -1.84 0.00 0.00 35.03 31.35 3ktg n LYS 110 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3ktg s ARG 111 N -3.05 3.97 0.26 1.97 0.52 -1.24 -2.25 118.95 119.12 3ktg s ARG 111 Ca 0.41 -0.32 0.05 0.00 -0.52 0.00 0.00 55.73 55.34 3ktg s ARG 111 Cb 0.36 -3.53 -0.06 0.00 0.52 0.00 0.00 34.95 32.24 3ktg s ARG 111 CO 0.02 -0.04 -0.01 0.71 0.02 0.00 0.00 175.30 175.99 3ktg s TYR 112 N 1.33 1.74 0.06 -0.53 1.51 0.96 -0.36 117.35 122.06 3ktg s TYR 112 Ca 0.07 -0.85 -0.18 0.00 -1.01 0.00 0.00 57.07 55.09 3ktg s TYR 112 Cb -0.15 -1.02 0.04 0.00 -0.11 0.00 0.00 41.96 40.72 3ktg s TYR 112 CO 0.07 0.07 0.43 0.00 -1.11 0.00 0.00 175.55 175.01 3ktg s ALA 113 N -3.27 -1.06 0.16 3.71 0.00 -1.11 0.79 121.76 120.99 3ktg s ALA 113 Ca 0.30 0.29 -0.04 0.00 0.00 0.00 0.00 51.96 52.51 3ktg s ALA 113 Cb 0.05 0.43 -0.05 0.00 0.00 0.00 0.00 23.12 23.56 3ktg s ALA 113 CO 0.11 -0.51 0.39 -0.51 0.00 0.00 0.00 175.76 175.24 3ktg s LEU 114 N -2.18 4.24 0.06 0.00 1.43 -1.02 -1.62 118.68 119.59 3ktg s LEU 114 Ca -0.03 0.55 -0.02 0.00 -1.03 0.00 0.00 54.13 53.60 3ktg s LEU 114 Cb -0.00 -3.29 0.10 0.00 0.03 0.00 0.00 46.19 43.02 3ktg s LEU 114 CO -0.04 0.02 0.35 -2.65 0.23 0.00 0.00 176.35 174.26 3ktg n PRO 115 N -0.14 -0.02 -0.54 1.29 -0.02 -1.25 0.10 135.00 134.42 3ktg n PRO 115 Ca -0.03 0.35 0.08 0.00 -2.02 0.00 0.00 63.50 61.89 3ktg n PRO 115 Cb 0.52 -0.53 0.30 0.00 -0.02 0.00 0.00 33.50 33.78 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 -4.37 4.36 -4.72 2.55 4.13 -1.26 -4.47 115.26 111.48 3ktg n ASN 116 Ca 0.04 -2.67 -0.31 0.00 1.68 0.00 0.00 54.58 53.31 3ktg n ASN 116 Cb 0.11 -0.53 0.13 0.00 -1.54 0.00 0.00 39.78 37.95 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 -1.27 3.67 0.07 6.41 0.01 0.28 -4.83 113.70 118.04 3ktg s SER 117 Ca 0.44 1.89 0.05 0.00 1.31 0.00 0.00 55.95 59.64 3ktg s SER 117 Cb 0.32 -2.48 -0.03 0.00 0.21 0.00 0.00 66.02 64.04 3ktg s SER 117 CO 0.16 -2.58 -0.13 -0.70 0.41 0.00 0.00 173.24 170.40 3ktg s GLU 118 N -4.80 0.78 0.01 12.44 2.12 -0.02 -3.08 118.70 126.15 3ktg s GLU 118 Ca 0.64 -0.94 0.02 0.00 0.36 0.00 0.00 54.97 55.04 3ktg s GLU 118 Cb -0.19 -0.74 -0.01 0.00 0.26 0.00 0.00 34.13 33.44 3ktg s GLU 118 CO 0.57 0.16 -0.06 0.08 -0.54 0.00 0.00 175.26 175.47 3ktg s VAL 119 N -1.36 0.43 -0.03 3.70 1.01 -0.05 -1.01 120.40 123.08 3ktg s VAL 119 Ca -0.03 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 3ktg s VAL 119 Cb -0.10 -0.41 0.03 0.00 0.00 0.00 0.00 36.38 35.91 3ktg s VAL 119 CO 0.02 -0.04 0.07 -0.32 0.00 0.00 0.00 175.10 174.83 3ktg s MET 120 N -0.56 0.01 0.11 2.72 0.00 -0.98 0.16 119.30 120.75 3ktg s MET 120 Ca -0.02 0.24 0.10 0.00 0.00 0.00 0.00 55.69 56.02 3ktg s MET 120 Cb -0.04 -0.22 -0.04 0.00 0.00 0.00 0.00 34.83 34.53 3ktg s MET 120 CO -0.00 -0.16 -0.25 0.96 0.00 0.00 0.00 175.02 175.56 3ktg s ILE 121 N 1.07 2.10 0.06 10.11 -4.36 -0.65 -1.07 121.20 128.46 3ktg s ILE 121 Ca -0.09 -1.64 -0.28 0.00 -0.26 0.00 0.00 60.65 58.39 3ktg s ILE 121 Cb -0.12 -1.86 0.09 0.00 1.25 0.00 0.00 42.46 41.82 3ktg s ILE 121 CO -0.04 0.10 1.02 -1.38 0.24 0.00 0.00 174.94 174.89 3ktg s HIS 122 N -1.03 -0.17 0.59 1.37 -3.43 -1.26 -1.09 115.29 110.27 3ktg s HIS 122 Ca 0.12 -0.04 -0.15 0.00 -0.80 0.00 0.00 55.06 54.19 3ktg s HIS 122 Cb -0.10 0.59 -0.04 0.00 -1.43 0.00 0.00 32.58 31.59 3ktg s HIS 122 CO 0.05 -0.61 1.03 1.14 -2.00 0.00 0.00 174.74 174.35 3ktg s GLN 123 N -3.02 3.50 0.61 -0.38 -2.07 0.22 -4.94 119.66 113.58 3ktg s GLN 123 Ca 0.11 1.03 -0.18 0.00 -1.82 0.00 0.00 55.36 54.50 3ktg s GLN 123 Cb -0.00 -2.07 -0.05 0.00 -1.09 0.00 0.00 33.01 29.81 3ktg s GLN 123 CO -0.02 -0.65 0.92 -2.30 -1.32 0.00 0.00 175.29 171.92 3ktg n PRO 124 N -2.13 0.81 -4.68 9.60 -0.02 -1.26 -5.04 135.00 132.28 3ktg n PRO 124 Ca 0.07 0.32 -0.29 0.00 -2.02 0.00 0.00 63.50 61.58 3ktg n PRO 124 Cb 0.53 -2.13 -0.14 0.00 -0.02 0.00 0.00 33.50 31.75 3ktg n PRO 124 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ktg s LEU 125 N -1.88 2.23 0.00 2.45 1.43 -1.26 -5.09 118.68 116.56 3ktg s LEU 125 Ca 0.76 -0.65 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 3ktg s LEU 125 Cb -0.41 -1.24 0.00 0.00 0.03 0.00 0.00 46.19 44.57 3ktg s LEU 125 CO 0.47 0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.88 3ktg n GLY 126 N 1.42 2.61 3.43 -3.19 0.00 -1.26 -5.05 105.19 103.15 3ktg n GLY 126 Ca -0.17 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.23 -0.58 -0.06 -0.02 0.00 -1.26 -5.17 107.32 100.00 3ktg s GLY 127 Ca 0.00 0.60 -0.10 0.00 0.00 0.00 0.00 44.72 45.23 3ktg s GLY 127 CO 0.00 0.27 0.24 0.00 0.00 0.00 0.00 173.10 173.61 3ktg s ALA 128 N -3.24 -0.60 0.05 3.20 0.00 -1.26 -4.97 121.76 114.95 3ktg s ALA 128 Ca -0.01 0.47 -0.11 0.00 0.00 0.00 0.00 51.96 52.31 3ktg s ALA 128 Cb -0.01 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.91 3ktg s ALA 128 CO -0.08 -0.16 0.24 -1.14 0.00 0.00 0.00 175.76 174.61 3ktg s GLN 129 N -0.44 0.75 0.00 0.00 2.00 -1.26 -5.01 119.66 115.70 3ktg s GLN 129 Ca -0.05 -0.62 0.00 0.00 -2.00 0.00 0.00 55.36 52.69 3ktg s GLN 129 Cb -0.04 0.32 0.00 0.00 0.80 0.00 0.00 33.01 34.09 3ktg s GLN 129 CO 0.01 -0.23 0.00 0.41 -0.50 0.00 0.00 175.29 174.98 3ktg n GLY 130 N 0.57 0.03 3.80 2.59 0.00 -1.26 -4.53 105.19 106.38 3ktg n GLY 130 Ca -0.18 -1.97 -0.33 0.00 0.00 0.00 0.00 46.02 43.54 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 3.45 0.30 1.61 -0.21 -1.26 -4.81 119.66 118.74 3ktg s GLN 131 Ca 0.00 1.25 -0.01 0.00 0.02 0.00 0.00 55.36 56.61 3ktg s GLN 131 Cb 0.00 -2.05 0.65 0.00 1.00 0.00 0.00 33.01 32.61 3ktg s GLN 131 CO 0.00 -0.71 1.57 0.00 -2.12 0.00 0.00 175.29 174.03 3ktg h ALA 132 N 0.73 1.01 -0.46 6.09 0.00 -1.99 0.23 119.26 124.87 3ktg h ALA 132 Ca -0.48 0.34 0.08 0.00 0.00 0.00 0.00 54.91 54.86 3ktg h ALA 132 Cb 1.22 0.62 -0.07 0.00 0.00 0.00 0.00 17.79 19.56 3ktg h ALA 132 CO 0.58 -0.51 0.07 1.15 0.00 0.00 0.00 179.25 180.53 3ktg h THR 133 N 0.01 0.72 -0.46 0.00 2.02 -1.99 -0.71 112.91 112.50 3ktg h THR 133 Ca 0.55 -0.07 -0.10 0.00 0.77 0.00 0.00 66.41 67.56 3ktg h THR 133 Cb 1.06 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 3ktg h THR 133 CO -0.93 0.04 -0.13 -0.33 0.37 0.00 0.00 175.52 174.54 3ktg h GLU 134 N 0.19 0.85 -0.45 6.66 5.08 -0.93 -2.06 114.58 123.93 3ktg h GLU 134 Ca 0.23 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 3ktg h GLU 134 Cb 0.31 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3ktg h GLU 134 CO -0.32 0.94 -0.01 0.82 -1.00 0.00 0.00 179.01 179.43 3ktg h ILE 135 N 0.76 1.24 -0.17 3.13 2.04 -0.57 -1.73 117.51 122.21 3ktg h ILE 135 Ca 0.12 -0.98 -0.14 0.00 1.00 0.00 0.00 64.86 64.86 3ktg h ILE 135 Cb 0.65 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 3ktg h ILE 135 CO 0.05 0.34 -0.50 -0.08 0.00 0.00 0.00 178.15 177.96 3ktg h GLU 136 N 0.69 0.45 -0.39 2.37 4.81 -0.92 0.10 114.58 121.70 3ktg h GLU 136 Ca 0.14 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 59.06 3ktg h GLU 136 Cb 0.44 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 3ktg h GLU 136 CO 0.02 0.85 0.08 0.82 -0.73 0.00 0.00 179.01 180.04 3ktg h ILE 137 N 0.36 1.24 -0.28 2.32 2.04 -1.00 -0.25 117.51 121.94 3ktg h ILE 137 Ca 0.02 -0.83 -0.06 0.00 1.00 0.00 0.00 64.86 64.99 3ktg h ILE 137 Cb 1.01 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 3ktg h ILE 137 CO 0.09 0.28 -0.05 0.00 0.00 0.00 0.00 178.15 178.48 3ktg h ALA 138 N 0.93 0.38 -0.53 1.87 0.00 -1.20 -1.88 119.26 118.82 3ktg h ALA 138 Ca 0.12 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3ktg h ALA 138 Cb 0.34 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3ktg h ALA 138 CO 0.01 0.17 0.34 0.00 0.00 0.00 0.00 179.25 179.77 3ktg h ALA 139 N 0.79 0.68 -0.34 0.00 0.00 -0.89 -1.02 119.26 118.48 3ktg h ALA 139 Ca 0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3ktg h ALA 139 Cb 0.51 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3ktg h ALA 139 CO 0.02 0.09 0.06 0.87 0.00 0.00 0.00 179.25 180.29 3ktg h LYS 140 N 0.69 0.51 -0.13 0.00 1.57 -0.93 -2.08 116.57 116.20 3ktg h LYS 140 Ca 0.20 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 3ktg h LYS 140 Cb -0.04 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 3ktg h LYS 140 CO -0.06 0.49 -0.15 -0.09 -0.57 0.00 0.00 179.45 179.07 3ktg h ARG 141 N 0.50 0.33 -0.19 3.15 9.65 -0.47 -2.15 114.38 125.21 3ktg h ARG 141 Ca 0.12 -0.18 -0.03 0.00 -1.10 0.00 0.00 59.98 58.78 3ktg h ARG 141 Cb 0.23 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.82 3ktg h ARG 141 CO 0.00 0.74 -0.01 0.97 2.80 0.00 0.00 179.97 184.47 3ktg h ILE 142 N -0.06 1.26 -0.83 1.20 2.10 -1.13 -0.32 117.51 119.74 3ktg h ILE 142 Ca 0.02 -0.91 0.03 0.00 1.08 0.00 0.00 64.86 65.08 3ktg h ILE 142 Cb 0.69 1.50 -0.05 0.00 -1.09 0.00 0.00 36.82 37.87 3ktg h ILE 142 CO 0.04 0.27 0.55 -0.07 -1.08 0.00 0.00 178.15 177.86 3ktg h LEU 143 N 0.08 0.90 -0.47 2.19 3.38 -1.46 0.20 115.31 120.12 3ktg h LEU 143 Ca 0.05 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 3ktg h LEU 143 Cb 0.42 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3ktg h LEU 143 CO 0.01 0.62 -0.25 0.25 0.09 0.00 0.00 178.44 179.17 3ktg h LEU 144 N 1.05 1.03 -0.45 1.67 7.12 -1.14 -1.47 115.31 123.11 3ktg h LEU 144 Ca 0.33 -0.41 -0.06 0.00 0.13 0.00 0.00 57.88 57.87 3ktg h LEU 144 Cb 0.01 -0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 39.83 3ktg h LEU 144 CO -0.09 1.21 0.06 -0.07 -0.13 0.00 0.00 178.44 179.42 3ktg h LEU 145 N 0.85 0.72 -0.30 2.25 3.38 -0.12 -0.65 115.31 121.44 3ktg h LEU 145 Ca 0.10 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 57.86 3ktg h LEU 145 Cb 0.83 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.34 3ktg h LEU 145 CO 0.07 0.81 -0.03 -0.09 0.09 0.00 0.00 178.44 179.29 3ktg h ARG 146 N 0.61 0.05 -0.28 1.13 2.43 -0.46 0.95 114.38 118.81 3ktg h ARG 146 Ca 0.13 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.23 3ktg h ARG 146 Cb 0.40 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 3ktg h ARG 146 CO 0.01 0.03 -0.15 0.22 -1.51 0.00 0.00 179.97 178.57 3ktg h ASP 147 N 0.05 0.47 0.06 -3.80 -0.00 -1.01 0.17 116.42 112.35 3ktg h ASP 147 Ca 0.14 -0.13 -0.00 0.00 -0.00 0.00 0.00 57.03 57.04 3ktg h ASP 147 Cb 0.20 -0.12 0.00 0.00 -0.00 0.00 0.00 39.33 39.41 3ktg h ASP 147 CO -0.27 0.64 -0.03 0.50 -0.00 0.00 0.00 179.24 180.09 3ktg h LYS 148 N 0.44 -0.07 -0.71 0.28 3.64 0.06 -1.66 116.57 118.55 3ktg h LYS 148 Ca 0.08 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3ktg h LYS 148 Cb 0.52 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.32 3ktg h LYS 148 CO 0.03 0.13 0.47 -0.07 -2.27 0.00 0.00 179.45 177.74 3ktg h LEU 149 N -0.27 0.81 -0.63 5.20 3.38 -0.65 -2.28 115.31 120.89 3ktg h LEU 149 Ca -0.01 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.96 3ktg h LEU 149 Cb 0.23 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 3ktg h LEU 149 CO 0.01 0.59 0.39 0.78 0.09 0.00 0.00 178.44 180.31 3ktg h ASN 150 N 0.96 0.65 -0.75 -0.43 2.35 -0.86 0.54 115.58 118.04 3ktg h ASN 150 Ca 0.26 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 3ktg h ASN 150 Cb -0.11 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.08 3ktg h ASN 150 CO -0.06 0.46 0.47 0.11 -1.65 0.00 0.00 177.43 176.77 3ktg h LYS 151 N 0.78 1.01 -0.19 0.81 1.79 -0.84 -0.49 116.57 119.44 3ktg h LYS 151 Ca 0.25 -0.08 -0.17 0.00 -2.18 0.00 0.00 60.65 58.47 3ktg h LYS 151 Cb -0.01 -0.22 -0.00 0.00 -1.58 0.00 0.00 32.23 30.42 3ktg h LYS 151 CO -0.09 0.70 -0.56 0.28 -1.08 0.00 0.00 179.45 178.70 3ktg h VAL 152 N 1.03 1.32 -0.60 0.50 2.07 -0.93 -2.37 116.25 117.26 3ktg h VAL 152 Ca 0.27 -1.81 -0.09 0.00 0.82 0.00 0.00 66.70 65.89 3ktg h VAL 152 Cb -0.07 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 3ktg h VAL 152 CO -0.05 0.56 0.00 0.25 0.02 0.00 0.00 177.57 178.35 3ktg h LEU 153 N 0.45 1.02 -0.11 2.57 6.46 -0.56 -1.46 115.31 123.69 3ktg h LEU 153 Ca 0.01 -0.29 -0.01 0.00 -0.12 0.00 0.00 57.88 57.47 3ktg h LEU 153 Cb 1.11 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 40.77 3ktg h LEU 153 CO 0.11 1.07 0.05 0.00 -0.62 0.00 0.00 178.44 179.04 3ktg h ALA 154 N 1.03 0.15 -0.86 1.25 0.00 -1.02 0.66 119.26 120.46 3ktg h ALA 154 Ca 0.17 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3ktg h ALA 154 Cb 0.55 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3ktg h ALA 154 CO 0.03 -0.27 0.57 0.93 0.00 0.00 0.00 179.25 180.51 3ktg h GLU 155 N 0.03 1.12 -0.25 0.00 5.08 -1.29 0.44 114.58 119.71 3ktg h GLU 155 Ca 0.04 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 3ktg h GLU 155 Cb 0.17 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3ktg h GLU 155 CO -0.00 0.74 0.01 0.00 -1.00 0.00 0.00 179.01 178.76 3ktg h ARG 156 N 1.16 0.43 0.10 2.33 2.47 -1.01 -3.28 114.38 116.59 3ktg h ARG 156 Ca 0.32 -0.13 -0.28 0.00 -1.26 0.00 0.00 59.98 58.63 3ktg h ARG 156 Cb -0.12 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.16 3ktg h ARG 156 CO -0.08 0.60 -1.34 1.79 0.56 0.00 0.00 179.97 181.50 3ktg h THR 157 N 0.21 1.37 0.00 2.04 1.35 -0.75 -3.47 112.91 113.66 3ktg h THR 157 Ca 0.07 -3.00 0.00 0.00 -0.55 0.00 0.00 66.41 62.93 3ktg h THR 157 Cb 0.40 2.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.66 3ktg h THR 157 CO 0.01 0.86 0.00 0.61 -0.25 0.00 0.00 175.52 176.75 3ktg n GLY 158 N 1.56 0.36 3.79 5.82 0.00 0.15 -4.56 105.19 112.30 3ktg n GLY 158 Ca -0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.93 2.58 0.23 1.61 -1.52 -1.15 -4.98 119.66 115.50 3ktg s GLN 159 Ca 0.00 1.13 -0.30 0.00 -1.95 0.00 0.00 55.36 54.24 3ktg s GLN 159 Cb 0.00 -1.94 -0.09 0.00 -0.22 0.00 0.00 33.01 30.77 3ktg s GLN 159 CO 0.00 -1.39 0.97 -1.25 -0.25 0.00 0.00 175.29 173.37 3ktg s PRO 160 N -4.80 4.80 0.29 2.91 0.04 -1.26 -4.62 135.00 132.35 3ktg s PRO 160 Ca 0.61 1.53 -0.00 0.00 0.04 0.00 0.00 61.00 63.18 3ktg s PRO 160 Cb -0.17 -3.28 0.67 0.00 0.04 0.00 0.00 34.50 31.76 3ktg s PRO 160 CO 0.53 0.43 1.59 1.25 0.04 0.00 0.00 177.00 180.84 3ktg h LEU 161 N 4.33 -0.40 -2.28 -3.56 5.85 -1.92 0.67 115.31 118.00 3ktg h LEU 161 Ca -0.45 0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.54 3ktg h LEU 161 Cb 1.20 0.43 -0.00 0.00 0.37 0.00 0.00 40.66 42.66 3ktg h LEU 161 CO 0.69 -0.29 0.07 -0.33 -0.34 0.00 0.00 178.44 178.23 3ktg h GLU 162 N 0.05 0.00 0.07 1.25 5.08 -1.98 -0.29 114.58 118.76 3ktg h GLU 162 Ca 0.55 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.73 3ktg h GLU 162 Cb 1.09 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.36 3ktg h GLU 162 CO -0.83 0.00 -0.73 0.28 -1.00 0.00 0.00 179.01 176.73 3ktg h VAL 163 N 0.00 1.46 -0.77 3.13 2.07 -0.03 -2.90 116.25 119.21 3ktg h VAL 163 Ca 0.03 -2.29 0.03 0.00 0.82 0.00 0.00 66.70 65.29 3ktg h VAL 163 Cb 0.16 2.86 -0.05 0.00 -1.52 0.00 0.00 31.29 32.75 3ktg h VAL 163 CO -0.00 0.66 0.49 0.40 0.02 0.00 0.00 177.57 179.14 3ktg h ILE 164 N -0.20 1.12 -0.32 4.57 1.08 -0.94 0.17 117.51 122.99 3ktg h ILE 164 Ca -0.11 -0.33 0.03 0.00 -0.39 0.00 0.00 64.86 64.06 3ktg h ILE 164 Cb 1.48 0.07 -0.03 0.00 -3.07 0.00 0.00 36.82 35.27 3ktg h ILE 164 CO 0.14 0.18 0.12 -0.33 -0.69 0.00 0.00 178.15 177.56 3ktg h GLU 165 N 0.96 0.26 -0.06 2.37 5.08 -1.12 -2.33 114.58 119.74 3ktg h GLU 165 Ca 0.31 -0.02 -0.22 0.00 -1.00 0.00 0.00 59.36 58.43 3ktg h GLU 165 Cb 0.01 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.21 3ktg h GLU 165 CO -0.11 0.17 -0.85 -0.09 -1.00 0.00 0.00 179.01 177.12 3ktg h ARG 166 N 0.26 0.56 0.00 2.33 2.43 -1.26 -3.21 114.38 115.49 3ktg h ARG 166 Ca 0.14 -0.51 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 3ktg h ARG 166 Cb 0.11 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3ktg h ARG 166 CO -0.14 1.14 0.00 -0.25 -1.51 0.00 0.00 179.97 179.21 3ktg n ASP 167 N -3.84 0.60 -0.83 -3.80 8.00 0.58 -2.78 116.55 114.47 3ktg n ASP 167 Ca -0.07 0.64 0.08 0.00 0.71 0.00 0.00 54.79 56.15 3ktg n ASP 167 Cb 0.78 -0.77 0.17 0.00 -0.02 0.00 0.00 41.12 41.29 3ktg n ASP 167 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3ktg n THR 168 N -2.15 0.69 -0.19 -3.53 -2.24 -0.89 -4.54 114.28 101.43 3ktg n THR 168 Ca 0.02 -0.84 -0.05 0.00 -2.27 0.00 0.00 64.05 60.91 3ktg n THR 168 Cb 0.24 0.76 0.04 0.00 -2.10 0.00 0.00 70.33 69.27 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 2.98 0.55 -2.39 3.42 1.82 -1.54 0.64 116.42 121.90 3ktg h ASP 169 Ca 0.00 0.00 -0.56 0.00 -0.39 0.00 0.00 57.03 56.08 3ktg h ASP 169 Cb 0.78 -0.12 -0.13 0.00 0.68 0.00 0.00 39.33 40.54 3ktg h ASP 169 CO 0.00 0.39 -0.62 -0.13 -1.61 0.00 0.00 179.24 177.27 3ktg s ARG 170 N -6.14 1.80 -0.04 0.28 3.00 -1.26 -4.68 118.95 111.91 3ktg s ARG 170 Ca -0.13 -1.99 -0.34 0.00 0.00 0.00 0.00 55.73 53.27 3ktg s ARG 170 Cb 0.13 -1.32 -0.12 0.00 0.00 0.00 0.00 34.95 33.65 3ktg s ARG 170 CO 0.75 -0.08 1.86 -0.25 0.00 0.00 0.00 175.30 177.57 3ktg n ASP 171 N -0.81 3.51 -4.08 0.23 8.00 -1.26 -4.63 116.55 117.51 3ktg n ASP 171 Ca -0.04 0.98 -0.34 0.00 0.71 0.00 0.00 54.79 56.10 3ktg n ASP 171 Cb 0.66 -1.40 -0.13 0.00 -0.02 0.00 0.00 41.12 40.23 3ktg n ASP 171 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3ktg s ASN 172 N 3.70 5.06 -0.09 -2.24 3.04 -0.25 -4.99 114.94 119.17 3ktg s ASN 172 Ca 0.90 -2.17 -0.25 0.00 0.04 0.00 0.00 52.86 51.39 3ktg s ASN 172 Cb -0.65 -1.76 -0.03 0.00 -1.54 0.00 0.00 41.25 37.27 3ktg s ASN 172 CO 0.48 -0.47 0.76 -0.36 -3.04 0.00 0.00 177.10 174.48 3ktg s PHE 173 N 0.93 3.54 0.01 0.43 0.08 -1.26 -1.64 117.98 120.07 3ktg s PHE 173 Ca 0.10 1.29 0.06 0.00 0.12 0.00 0.00 56.93 58.50 3ktg s PHE 173 Cb -0.22 -2.89 -0.02 0.00 -0.57 0.00 0.00 43.02 39.32 3ktg s PHE 173 CO -0.05 -0.01 -0.17 0.15 -0.10 0.00 0.00 175.22 175.04 3ktg s LYS 174 N 1.19 1.23 0.84 0.44 1.02 0.42 -4.98 119.74 119.91 3ktg s LYS 174 Ca 0.39 -0.71 -0.12 0.00 0.02 0.00 0.00 55.97 55.55 3ktg s LYS 174 Cb -0.18 -1.24 0.10 0.00 -0.52 0.00 0.00 37.83 35.99 3ktg s LYS 174 CO 0.18 0.33 1.13 -1.54 -0.92 0.00 0.00 175.35 174.53 3ktg s SER 175 N -0.77 4.14 0.36 2.83 1.04 -1.26 -0.88 113.70 119.16 3ktg s SER 175 Ca 0.05 1.03 0.04 0.00 0.48 0.00 0.00 55.95 57.55 3ktg s SER 175 Cb -0.07 -1.65 0.69 0.00 0.10 0.00 0.00 66.02 65.10 3ktg s SER 175 CO 0.00 -2.16 2.01 0.00 0.98 0.00 0.00 173.24 174.07 3ktg h ALA 176 N -1.23 1.60 -0.33 5.32 0.00 -1.76 0.17 119.26 123.03 3ktg h ALA 176 Ca -0.48 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.22 3ktg h ALA 176 Cb 1.31 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3ktg h ALA 176 CO 0.62 0.35 -0.46 0.93 0.00 0.00 0.00 179.25 180.69 3ktg h GLU 177 N 0.79 0.89 -0.47 0.00 3.07 -1.91 -0.35 114.58 116.60 3ktg h GLU 177 Ca 0.23 -0.51 -0.11 0.00 -0.50 0.00 0.00 59.36 58.47 3ktg h GLU 177 Cb -0.03 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 3ktg h GLU 177 CO -0.06 1.16 -0.15 0.93 -1.40 0.00 0.00 179.01 179.49 3ktg h GLU 178 N 0.71 0.90 -0.44 2.33 5.08 -1.73 -0.22 114.58 121.21 3ktg h GLU 178 Ca 0.04 -0.34 -0.07 0.00 -1.00 0.00 0.00 59.36 57.99 3ktg h GLU 178 Cb 1.06 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 3ktg h GLU 178 CO 0.11 0.99 -0.03 0.00 -1.00 0.00 0.00 179.01 179.08 3ktg h ALA 179 N 1.03 1.14 -0.12 3.43 0.00 -0.55 0.18 119.26 124.37 3ktg h ALA 179 Ca 0.12 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3ktg h ALA 179 Cb 0.68 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3ktg h ALA 179 CO 0.05 0.55 -0.05 1.25 0.00 0.00 0.00 179.25 181.05 3ktg h LEU 180 N 0.68 0.25 -1.22 0.00 5.85 -0.66 -0.88 115.31 119.33 3ktg h LEU 180 Ca 0.13 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.45 3ktg h LEU 180 Cb 0.46 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.42 3ktg h LEU 180 CO 0.02 0.59 0.00 -0.33 -0.34 0.00 0.00 178.44 178.38 3ktg h GLU 181 N -0.09 0.00 0.00 1.25 5.08 -0.83 -2.56 114.58 117.43 3ktg h GLU 181 Ca 0.03 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.20 3ktg h GLU 181 Cb 0.49 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 3ktg h GLU 181 CO 0.02 0.00 -1.30 -0.92 -1.00 0.00 0.00 179.01 175.81 3ktg h TYR 182 N 0.00 0.00 0.00 4.33 3.20 -0.70 -3.48 116.97 120.32 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 0.35 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.62 3ktg h TYR 182 CO 0.00 0.70 0.00 0.41 -1.64 0.00 0.00 178.16 177.63 3ktg n GLY 183 N 1.40 1.14 0.09 1.82 0.00 -0.83 -4.72 105.19 104.10 3ktg n GLY 183 Ca -0.09 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 -8.71 0.99 3.38 -1.41 -3.35 115.31 106.20 3ktg h LEU 184 Ca 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 3ktg h LEU 184 Cb 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.60 3ktg h LEU 184 CO 0.00 0.85 -0.63 0.27 0.09 0.00 0.00 178.44 179.02 3ktg s ILE 185 N -3.02 0.33 -0.17 1.22 -4.36 -1.20 -3.80 121.20 110.20 3ktg s ILE 185 Ca 0.00 -1.99 0.10 0.00 -0.26 0.00 0.00 60.65 58.51 3ktg s ILE 185 Cb 0.11 -2.47 -0.18 0.00 1.25 0.00 0.00 42.46 41.17 3ktg s ILE 185 CO 0.80 -0.10 -0.02 0.47 0.24 0.00 0.00 174.94 176.33 3ktg n ASP 186 N -0.33 1.50 -3.72 4.36 8.00 0.51 -4.58 116.55 122.29 3ktg n ASP 186 Ca -0.01 -0.03 -0.13 0.00 0.71 0.00 0.00 54.79 55.33 3ktg n ASP 186 Cb 0.66 0.52 -0.08 0.00 -0.02 0.00 0.00 41.12 42.20 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 -2.39 0.78 -0.40 -1.24 2.20 -0.83 -5.02 119.74 112.85 3ktg s LYS 187 Ca -0.14 -0.25 -0.12 0.00 -0.36 0.00 0.00 55.97 55.11 3ktg s LYS 187 Cb 0.05 0.35 0.04 0.00 -1.51 0.00 0.00 37.83 36.76 3ktg s LYS 187 CO 0.59 -0.24 0.24 0.42 -0.36 0.00 0.00 175.35 176.01 3ktg s ILE 188 N -1.79 4.65 0.26 5.43 1.01 -1.26 -2.75 121.20 126.76 3ktg s ILE 188 Ca -0.10 -0.96 -0.29 0.00 0.00 0.00 0.00 60.65 59.30 3ktg s ILE 188 Cb -0.03 -3.66 -0.10 0.00 0.01 0.00 0.00 42.46 38.69 3ktg s ILE 188 CO 0.02 -0.33 1.28 -0.76 0.00 0.00 0.00 174.94 175.16 3ktg s LEU 189 N 1.55 4.44 0.00 2.97 1.43 -0.64 -4.89 118.68 123.53 3ktg s LEU 189 Ca 0.03 2.50 0.00 0.00 -1.03 0.00 0.00 54.13 55.63 3ktg s LEU 189 Cb -0.20 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.39 3ktg s LEU 189 CO 0.06 -0.48 0.00 0.41 0.23 0.00 0.00 176.35 176.58 3ktg n THR 190 N 1.69 0.00 -4.33 5.49 -1.04 -1.26 -3.80 114.28 111.02 3ktg n THR 190 Ca 0.03 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.76 3ktg n THR 190 Cb 0.43 -0.30 -0.11 0.00 -1.82 0.00 0.00 70.33 68.53 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 -1.58 2.49 0.64 -1.42 3.76 -1.26 -5.02 115.29 112.90 3ktg s HIS 191 Ca 0.00 -0.28 0.35 0.00 -0.15 0.00 0.00 55.06 54.97 3ktg s HIS 191 Cb 0.00 -1.27 1.91 0.00 1.11 0.00 0.00 32.58 34.33 3ktg s HIS 191 CO 0.00 0.45 2.14 1.37 -0.85 0.00 0.00 174.74 177.84 3ktg h LEU 192 N 3.38 0.00 -2.46 0.89 -0.00 -1.98 0.48 115.31 115.62 3ktg h LEU 192 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 3ktg h LEU 192 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.85 3ktg h LEU 192 CO 0.48 0.00 0.00 -1.84 -0.00 0.00 0.00 178.44 177.08 3ktg n GLU 193 N -3.27 2.44 0.00 0.17 -0.00 -1.26 -4.24 120.64 114.47 3ktg n GLU 193 Ca -0.01 -2.21 0.15 0.00 -0.00 0.00 0.00 57.16 55.09 3ktg n GLU 193 Cb 0.26 -1.44 0.76 0.00 -0.00 0.00 0.00 31.44 31.01 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 1.23 0.00 -2.78 -1.84 8.25 0.16 -4.80 115.22 115.44 3ktg n HIS 194 Ca 0.18 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.34 3ktg n HIS 194 Cb 0.54 -0.18 -0.03 0.00 1.12 0.00 0.00 29.99 31.44 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 -2.40 3.49 -0.05 4.41 2.46 -1.26 -4.93 115.29 117.00 3ktg s HIS 195 Ca 0.33 1.04 0.22 0.00 0.47 0.00 0.00 55.06 57.13 3ktg s HIS 195 Cb 0.21 -2.45 0.63 0.00 -0.13 0.00 0.00 32.58 30.84 3ktg s HIS 195 CO 0.44 -0.16 1.70 1.12 -2.47 0.00 0.00 174.74 175.38 3ktg h HIS 196 N 1.07 0.00 0.26 3.88 2.07 -1.95 -3.31 115.15 117.16 3ktg h HIS 196 Ca -0.47 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.04 3ktg h HIS 196 Cb 1.19 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.17 3ktg h HIS 196 CO 0.61 0.23 -0.12 1.25 -3.07 0.00 0.00 177.93 176.83 3ktg h HIS 197 N 0.00 -0.32 -0.01 6.12 6.17 -1.94 -3.54 115.15 121.63 3ktg h HIS 197 Ca -0.00 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.07 3ktg h HIS 197 Cb 0.94 0.11 0.00 0.00 2.52 0.00 0.00 27.41 30.97 3ktg h HIS 197 CO 0.00 -0.20 0.00 0.72 0.71 0.00 0.00 177.93 179.16