#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 1.70 0.30 6.28 0.04 -1.26 -4.80 135.00 137.27 3ktg s PRO 4 Ca 0.00 0.93 0.08 0.00 0.04 0.00 0.00 61.00 62.04 3ktg s PRO 4 Cb 0.00 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 3ktg s PRO 4 CO 0.00 -1.96 0.20 0.95 0.04 0.00 0.00 177.00 176.23 3ktg s THR 5 N -2.95 3.71 -0.15 1.26 -4.23 -1.26 -1.83 115.64 110.19 3ktg s THR 5 Ca 0.62 -1.51 -0.02 0.00 -1.18 0.00 0.00 61.69 59.60 3ktg s THR 5 Cb -0.17 -3.17 0.05 0.00 1.34 0.00 0.00 72.50 70.54 3ktg s THR 5 CO 0.56 -0.26 0.01 -0.69 -0.54 0.00 0.00 174.62 173.71 3ktg s VAL 6 N -2.28 0.59 -0.40 2.29 1.01 -0.49 -4.89 120.40 116.24 3ktg s VAL 6 Ca 0.37 -0.37 -0.21 0.00 0.00 0.00 0.00 61.98 61.77 3ktg s VAL 6 Cb -0.06 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.41 3ktg s VAL 6 CO 0.24 -0.00 0.67 0.27 0.00 0.00 0.00 175.10 176.28 3ktg s ILE 7 N 1.85 4.82 0.00 2.22 -0.00 -1.26 -2.10 121.20 126.73 3ktg s ILE 7 Ca 0.01 0.38 0.00 0.00 -0.00 0.00 0.00 60.65 61.04 3ktg s ILE 7 Cb -0.15 -4.17 0.00 0.00 -0.00 0.00 0.00 42.46 38.14 3ktg s ILE 7 CO -0.07 -0.49 0.00 0.00 -0.00 0.00 0.00 174.94 174.38 3ktg n ALA 16 N 6.25 0.00 -2.53 2.27 0.00 -1.26 -5.20 120.51 120.04 3ktg n ALA 16 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.21 3ktg n ALA 16 Cb 0.48 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 -2.32 3.31 0.30 0.00 2.02 -0.89 -5.11 117.35 114.66 3ktg s TYR 17 Ca 0.00 0.15 -0.02 0.00 -0.37 0.00 0.00 57.07 56.83 3ktg s TYR 17 Cb 0.00 -2.04 -0.04 0.00 -0.40 0.00 0.00 41.96 39.48 3ktg s TYR 17 CO 0.00 -0.05 0.53 0.34 -1.57 0.00 0.00 175.55 174.79 3ktg s ASP 18 N -4.13 6.37 0.30 2.29 2.15 -1.26 -1.39 116.67 121.00 3ktg s ASP 18 Ca 0.43 0.55 0.01 0.00 0.43 0.00 0.00 52.55 53.98 3ktg s ASP 18 Cb -0.10 -2.07 0.54 0.00 -0.30 0.00 0.00 42.92 40.99 3ktg s ASP 18 CO 0.35 -0.22 1.91 -0.29 -0.17 0.00 0.00 175.17 176.75 3ktg h ILE 19 N 1.10 1.06 -0.04 4.11 6.09 -1.67 0.11 117.51 128.27 3ktg h ILE 19 Ca -0.49 -0.35 -0.21 0.00 -1.37 0.00 0.00 64.86 62.45 3ktg h ILE 19 Cb 1.20 -0.04 0.00 0.00 0.47 0.00 0.00 36.82 38.45 3ktg h ILE 19 CO 0.64 0.18 -0.86 1.88 -3.07 0.00 0.00 178.15 176.93 3ktg h TYR 20 N 1.01 0.61 -0.35 2.19 0.05 -1.94 -2.88 116.97 115.66 3ktg h TYR 20 Ca 0.39 -0.31 -0.07 0.00 0.05 0.00 0.00 58.73 58.79 3ktg h TYR 20 Cb 0.22 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.86 3ktg h TYR 20 CO -0.00 1.10 -0.09 0.77 -1.05 0.00 0.00 178.16 178.90 3ktg h SER 21 N 0.26 0.57 -0.67 3.88 0.02 -1.72 0.25 113.55 116.14 3ktg h SER 21 Ca -0.06 -0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 60.68 3ktg h SER 21 Cb 1.47 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.83 3ktg h SER 21 CO 0.15 0.70 0.16 -0.09 -1.14 0.00 0.00 176.83 176.60 3ktg h ARG 22 N 0.54 1.08 -0.01 3.45 9.65 -0.72 -2.19 114.38 126.18 3ktg h ARG 22 Ca 0.10 -0.26 -0.15 0.00 -1.10 0.00 0.00 59.98 58.58 3ktg h ARG 22 Cb 0.48 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.90 3ktg h ARG 22 CO 0.03 0.96 -0.68 -0.07 2.80 0.00 0.00 179.97 183.00 3ktg h LEU 23 N 1.03 0.08 -1.86 3.80 4.07 -1.23 -2.82 115.31 118.37 3ktg h LEU 23 Ca 0.21 -0.05 -0.02 0.00 0.08 0.00 0.00 57.88 58.11 3ktg h LEU 23 Cb 0.37 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.08 3ktg h LEU 23 CO 0.00 0.73 -0.09 0.25 -1.08 0.00 0.00 178.44 178.26 3ktg h LEU 24 N 0.04 0.00 -2.00 1.67 5.85 -0.37 0.12 115.31 120.63 3ktg h LEU 24 Ca -0.01 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3ktg h LEU 24 Cb 1.21 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 3ktg h LEU 24 CO 0.09 0.09 -0.10 0.50 -0.34 0.00 0.00 178.44 178.68 3ktg h LYS 25 N 0.00 0.00 -0.60 1.25 3.64 -1.16 -1.35 116.57 118.35 3ktg h LYS 25 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ktg h LYS 25 Cb 0.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3ktg h LYS 25 CO 0.01 0.10 0.00 -0.25 -2.27 0.00 0.00 179.45 177.04 3ktg n ASP 26 N -3.78 5.43 -2.68 4.20 10.43 0.38 -4.93 116.55 125.60 3ktg n ASP 26 Ca -0.02 -2.78 -0.19 0.00 2.57 0.00 0.00 54.79 54.37 3ktg n ASP 26 Cb 0.20 -0.65 0.04 0.00 1.84 0.00 0.00 41.12 42.55 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 0.77 -4.92 -4.08 -1.24 1.74 -0.51 -4.91 116.66 103.51 3ktg n ARG 27 Ca 0.27 0.71 -0.34 0.00 -0.77 0.00 0.00 57.85 57.73 3ktg n ARG 27 Cb 1.10 -5.24 -0.15 0.00 -1.02 0.00 0.00 32.46 27.15 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 -3.13 2.48 -0.13 0.55 1.01 -0.95 -1.34 121.20 119.69 3ktg s ILE 28 Ca 0.33 -0.80 -0.01 0.00 0.00 0.00 0.00 60.65 60.18 3ktg s ILE 28 Cb -0.15 -2.08 -0.02 0.00 0.01 0.00 0.00 42.46 40.23 3ktg s ILE 28 CO 0.41 0.50 -0.09 -0.63 0.00 0.00 0.00 174.94 175.13 3ktg s ILE 29 N 1.32 3.42 -0.17 2.92 1.01 0.10 -3.32 121.20 126.48 3ktg s ILE 29 Ca 0.05 -0.54 -0.07 0.00 0.00 0.00 0.00 60.65 60.09 3ktg s ILE 29 Cb -0.14 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 3ktg s ILE 29 CO -0.09 0.53 0.05 -0.04 0.00 0.00 0.00 174.94 175.39 3ktg s MET 30 N 0.13 3.91 -0.50 2.79 -1.94 -1.26 -0.99 119.30 121.44 3ktg s MET 30 Ca -0.04 -0.35 0.03 0.00 -1.71 0.00 0.00 55.69 53.62 3ktg s MET 30 Cb -0.14 -3.17 0.13 0.00 2.01 0.00 0.00 34.83 33.66 3ktg s MET 30 CO 0.04 0.30 0.26 -1.17 -0.01 0.00 0.00 175.02 174.45 3ktg s LEU 31 N 0.28 3.67 -0.41 -0.03 2.96 -0.36 -4.97 118.68 119.82 3ktg s LEU 31 Ca 0.03 -2.91 0.07 0.00 -0.22 0.00 0.00 54.13 51.10 3ktg s LEU 31 Cb -0.12 -1.39 0.43 0.00 0.50 0.00 0.00 46.19 45.61 3ktg s LEU 31 CO 0.00 -0.24 1.10 0.61 -1.32 0.00 0.00 176.35 176.51 3ktg n GLY 32 N 3.21 5.43 3.81 7.98 0.00 -1.25 -0.95 105.19 123.42 3ktg n GLY 32 Ca 0.07 -2.55 -0.08 0.00 0.00 0.00 0.00 46.02 43.47 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 -3.50 -0.20 0.87 1.61 1.04 -1.21 -4.87 113.70 107.43 3ktg s SER 33 Ca 0.45 -0.71 -0.12 0.00 0.48 0.00 0.00 55.95 56.05 3ktg s SER 33 Cb 0.41 0.72 0.09 0.00 0.10 0.00 0.00 66.02 67.33 3ktg s SER 33 CO -0.14 -1.34 0.97 0.00 0.98 0.00 0.00 173.24 173.71 3ktg n ALA 34 N -0.45 -0.95 -2.47 5.32 0.00 -1.26 -4.53 120.51 116.17 3ktg n ALA 34 Ca -0.04 -0.46 -0.43 0.00 0.00 0.00 0.00 53.44 52.52 3ktg n ALA 34 Cb 0.60 -2.11 -0.10 0.00 0.00 0.00 0.00 19.45 17.84 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 -2.33 5.25 0.38 0.00 1.01 0.27 -4.85 121.20 120.92 3ktg s ILE 35 Ca 0.67 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 60.77 3ktg s ILE 35 Cb -0.26 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.26 3ktg s ILE 35 CO 0.57 -0.29 0.15 1.51 0.00 0.00 0.00 174.94 176.88 3ktg s ASP 36 N 1.69 2.44 0.26 3.58 1.47 -1.26 -0.29 116.67 124.56 3ktg s ASP 36 Ca 0.06 -1.65 -0.03 0.00 1.18 0.00 0.00 52.55 52.11 3ktg s ASP 36 Cb -0.19 0.47 0.55 0.00 -0.34 0.00 0.00 42.92 43.41 3ktg s ASP 36 CO 0.10 -0.93 1.67 0.44 0.68 0.00 0.00 175.17 177.14 3ktg h ASP 37 N 1.91 0.00 0.55 2.11 3.45 -1.96 -0.25 116.42 122.24 3ktg h ASP 37 Ca -0.34 0.16 -0.02 0.00 0.43 0.00 0.00 57.03 57.26 3ktg h ASP 37 Cb 1.26 0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 40.25 3ktg h ASP 37 CO 0.54 -0.08 -0.39 0.78 -1.57 0.00 0.00 179.24 178.53 3ktg h ASN 38 N 0.25 -1.00 -0.76 6.45 2.35 -1.98 0.13 115.58 121.03 3ktg h ASN 38 Ca 0.46 0.06 0.14 0.00 -0.55 0.00 0.00 56.30 56.41 3ktg h ASN 38 Cb 0.84 0.30 -0.09 0.00 0.05 0.00 0.00 38.32 39.42 3ktg h ASN 38 CO -0.57 -0.57 0.31 0.58 -1.65 0.00 0.00 177.43 175.54 3ktg h VAL 39 N -0.89 0.68 -0.35 2.81 2.07 -1.77 -1.21 116.25 117.58 3ktg h VAL 39 Ca -0.07 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 3ktg h VAL 39 Cb 0.73 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3ktg h VAL 39 CO 0.05 0.09 0.21 0.00 0.02 0.00 0.00 177.57 177.93 3ktg h ALA 40 N 1.54 0.45 -0.60 1.67 0.00 -0.82 0.12 119.26 121.61 3ktg h ALA 40 Ca 0.41 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.30 3ktg h ALA 40 Cb 0.61 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3ktg h ALA 40 CO -0.39 -0.05 0.40 -0.97 0.00 0.00 0.00 179.25 178.24 3ktg h ASN 41 N 0.46 0.62 0.07 0.00 -1.24 0.39 0.31 115.58 116.18 3ktg h ASN 41 Ca 0.13 -0.01 -0.24 0.00 0.71 0.00 0.00 56.30 56.88 3ktg h ASN 41 Cb 0.01 -0.15 0.01 0.00 0.73 0.00 0.00 38.32 38.93 3ktg h ASN 41 CO -0.02 0.43 -0.95 -1.28 -1.29 0.00 0.00 177.43 174.32 3ktg h SER 42 N 0.72 0.80 -0.31 1.15 0.87 -0.64 -2.04 113.55 114.10 3ktg h SER 42 Ca 0.24 -0.61 -0.10 0.00 -1.23 0.00 0.00 61.79 60.09 3ktg h SER 42 Cb 0.06 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 3ktg h SER 42 CO -0.06 1.41 -0.19 0.40 -0.53 0.00 0.00 176.83 177.85 3ktg h ILE 43 N 0.38 1.29 -0.28 2.23 5.03 -0.45 -1.25 117.51 124.46 3ktg h ILE 43 Ca -0.10 -1.32 -0.01 0.00 -0.12 0.00 0.00 64.86 63.31 3ktg h ILE 43 Cb 1.59 1.48 -0.01 0.00 -3.03 0.00 0.00 36.82 36.84 3ktg h ILE 43 CO 0.18 0.43 0.14 0.58 -0.68 0.00 0.00 178.15 178.80 3ktg h VAL 44 N 0.44 1.15 -0.84 1.67 2.07 -1.02 -0.87 116.25 118.84 3ktg h VAL 44 Ca 0.06 -0.41 0.07 0.00 0.82 0.00 0.00 66.70 67.24 3ktg h VAL 44 Cb 0.74 0.90 -0.06 0.00 -1.52 0.00 0.00 31.29 31.34 3ktg h VAL 44 CO 0.05 0.15 0.51 0.28 0.02 0.00 0.00 177.57 178.58 3ktg h SER 45 N 0.33 0.78 -0.42 0.57 0.02 -1.26 0.28 113.55 113.84 3ktg h SER 45 Ca 0.10 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 3ktg h SER 45 Cb 0.11 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 3ktg h SER 45 CO -0.01 0.48 -0.02 1.56 -1.14 0.00 0.00 176.83 177.70 3ktg h GLN 46 N 0.90 0.76 -0.59 3.45 4.20 -0.89 -1.04 115.11 121.90 3ktg h GLN 46 Ca 0.38 -0.26 0.01 0.00 0.06 0.00 0.00 58.65 58.84 3ktg h GLN 46 Cb 0.22 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 3ktg h GLN 46 CO -0.19 0.85 0.39 -0.07 -0.67 0.00 0.00 178.83 179.14 3ktg h LEU 47 N 0.60 0.68 0.21 1.46 3.38 -0.38 0.36 115.31 121.60 3ktg h LEU 47 Ca 0.12 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3ktg h LEU 47 Cb 0.52 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3ktg h LEU 47 CO 0.03 0.49 -0.10 -0.07 0.09 0.00 0.00 178.44 178.88 3ktg h LEU 48 N 0.80 -0.23 -0.01 1.67 3.38 -0.82 -0.81 115.31 119.28 3ktg h LEU 48 Ca 0.22 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.22 3ktg h LEU 48 Cb -0.09 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 3ktg h LEU 48 CO -0.05 -0.16 -0.26 0.15 0.09 0.00 0.00 178.44 178.22 3ktg h PHE 49 N -0.28 -0.69 -0.56 1.13 3.57 -0.91 -0.25 116.94 118.95 3ktg h PHE 49 Ca -0.03 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.58 3ktg h PHE 49 Cb 0.22 0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 3ktg h PHE 49 CO -0.06 -0.35 0.38 -0.07 -2.23 0.00 0.00 178.31 175.98 3ktg h LEU 50 N -0.39 0.36 -0.29 0.59 3.38 -0.82 -0.56 115.31 117.59 3ktg h LEU 50 Ca 0.06 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 3ktg h LEU 50 Cb 0.48 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3ktg h LEU 50 CO -0.23 0.23 -0.16 0.00 0.09 0.00 0.00 178.44 178.36 3ktg h ALA 51 N 1.71 0.41 -0.47 1.53 0.00 0.11 -2.63 119.26 119.93 3ktg h ALA 51 Ca 0.25 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 3ktg h ALA 51 Cb 0.47 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3ktg h ALA 51 CO -0.07 0.32 -0.13 0.00 0.00 0.00 0.00 179.25 179.37 3ktg h ALA 52 N 0.74 0.89 -0.24 0.00 0.00 -0.38 -1.28 119.26 119.00 3ktg h ALA 52 Ca 0.06 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.65 3ktg h ALA 52 Cb 0.69 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3ktg h ALA 52 CO 0.05 0.63 0.09 0.93 0.00 0.00 0.00 179.25 180.95 3ktg h GLU 53 N 0.78 0.20 -0.85 0.00 4.39 -1.06 -3.41 114.58 114.62 3ktg h GLU 53 Ca 0.12 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 3ktg h GLU 53 Cb 0.65 -0.05 -0.19 0.00 -0.10 0.00 0.00 28.75 29.06 3ktg h GLU 53 CO 0.05 0.13 -0.37 0.34 -1.16 0.00 0.00 179.01 178.00 3ktg s ASP 54 N -5.33 -1.33 0.00 1.42 -1.08 -1.00 -5.02 116.67 104.33 3ktg s ASP 54 Ca -0.13 -0.52 0.01 0.00 -0.52 0.00 0.00 52.55 51.38 3ktg s ASP 54 Cb 0.10 1.72 0.05 0.00 -1.46 0.00 0.00 42.92 43.32 3ktg s ASP 54 CO 0.69 -0.16 0.83 -0.81 0.52 0.00 0.00 175.17 176.24 3ktg n PRO 55 N 4.47 0.01 -0.09 4.34 -0.04 -0.49 -2.15 135.00 141.05 3ktg n PRO 55 Ca 0.09 0.28 -0.14 0.00 -0.04 0.00 0.00 63.50 63.69 3ktg n PRO 55 Cb 0.58 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.29 0.68 -2.25 0.54 -0.58 -1.26 -3.24 120.64 113.24 3ktg n GLU 56 Ca 0.00 0.12 -0.41 0.00 -0.42 0.00 0.00 57.16 56.45 3ktg n GLU 56 Cb 0.01 -1.58 -0.03 0.00 -0.57 0.00 0.00 31.44 29.27 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 -2.52 4.45 0.86 3.49 -0.14 -0.91 -4.82 119.74 120.14 3ktg s LYS 57 Ca -0.19 2.04 -0.11 0.00 -1.36 0.00 0.00 55.97 56.35 3ktg s LYS 57 Cb 0.07 -3.15 0.11 0.00 -1.68 0.00 0.00 37.83 33.18 3ktg s LYS 57 CO 0.74 -0.10 1.09 -2.00 -0.76 0.00 0.00 175.35 174.33 3ktg s GLU 58 N -1.08 1.53 -0.01 1.68 2.12 -1.26 -4.55 118.70 117.14 3ktg s GLU 58 Ca 0.50 1.04 0.03 0.00 0.36 0.00 0.00 54.97 56.91 3ktg s GLU 58 Cb -0.36 -1.82 -0.01 0.00 0.26 0.00 0.00 34.13 32.20 3ktg s GLU 58 CO 0.44 -2.11 -0.10 0.42 -0.54 0.00 0.00 175.26 173.37 3ktg s ILE 59 N -2.87 0.81 -0.18 -3.70 1.01 -0.53 -4.89 121.20 110.84 3ktg s ILE 59 Ca 0.63 -0.45 -0.02 0.00 0.00 0.00 0.00 60.65 60.81 3ktg s ILE 59 Cb -0.18 -0.68 -0.01 0.00 0.01 0.00 0.00 42.46 41.60 3ktg s ILE 59 CO 0.57 0.22 -0.08 -0.44 0.00 0.00 0.00 174.94 175.20 3ktg s SER 60 N -0.27 4.15 -0.40 3.58 0.01 -0.45 0.49 113.70 120.81 3ktg s SER 60 Ca 0.04 -0.37 -0.05 0.00 1.31 0.00 0.00 55.95 56.87 3ktg s SER 60 Cb -0.04 -1.68 0.09 0.00 0.21 0.00 0.00 66.02 64.60 3ktg s SER 60 CO -0.00 0.05 0.21 -0.22 0.41 0.00 0.00 173.24 173.69 3ktg s LEU 61 N 1.03 5.10 0.10 2.44 2.96 0.16 -0.72 118.68 129.74 3ktg s LEU 61 Ca -0.00 -1.78 -0.30 0.00 -0.22 0.00 0.00 54.13 51.83 3ktg s LEU 61 Cb -0.15 -1.88 -0.06 0.00 0.50 0.00 0.00 46.19 44.61 3ktg s LEU 61 CO -0.01 -0.52 1.08 -0.31 -1.32 0.00 0.00 176.35 175.27 3ktg s TYR 62 N 1.26 3.60 -0.08 5.38 1.51 -0.16 -1.37 117.35 127.48 3ktg s TYR 62 Ca 0.05 1.57 0.03 0.00 -1.01 0.00 0.00 57.07 57.71 3ktg s TYR 62 Cb -0.23 -3.25 0.00 0.00 -0.11 0.00 0.00 41.96 38.38 3ktg s TYR 62 CO -0.02 -0.53 -0.19 0.42 -1.11 0.00 0.00 175.55 174.12 3ktg s ILE 63 N 0.41 1.67 -0.42 2.71 1.01 0.75 -1.23 121.20 126.10 3ktg s ILE 63 Ca 0.52 -0.80 0.06 0.00 0.00 0.00 0.00 60.65 60.43 3ktg s ILE 63 Cb -0.27 -1.46 0.17 0.00 0.01 0.00 0.00 42.46 40.92 3ktg s ILE 63 CO 0.31 0.47 0.54 0.21 0.00 0.00 0.00 174.94 176.48 3ktg s ASN 64 N 0.43 -0.40 0.03 3.58 2.47 -0.13 -0.95 114.94 119.97 3ktg s ASN 64 Ca -0.16 -1.42 -0.19 0.00 0.42 0.00 0.00 52.86 51.51 3ktg s ASN 64 Cb -0.17 1.30 0.04 0.00 -1.45 0.00 0.00 41.25 40.98 3ktg s ASN 64 CO 0.06 -0.17 0.44 -0.94 -3.72 0.00 0.00 177.10 172.77 3ktg s SER 65 N 1.37 -0.32 0.00 -4.21 1.04 -0.24 -3.35 113.70 107.98 3ktg s SER 65 Ca 0.20 0.10 0.23 0.00 0.48 0.00 0.00 55.95 56.96 3ktg s SER 65 Cb -0.06 0.43 1.36 0.00 0.10 0.00 0.00 66.02 67.84 3ktg s SER 65 CO -0.06 -0.64 1.79 -0.81 0.98 0.00 0.00 173.24 174.51 3ktg n PRO 66 N 0.64 0.86 0.00 4.02 -0.04 -1.26 -2.13 135.00 137.08 3ktg n PRO 66 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 3ktg n PRO 66 Cb 0.59 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.66 -0.08 0.00 0.55 0.00 -1.19 -4.39 105.19 100.73 3ktg n GLY 67 Ca 0.17 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.15 3.63 -0.02 0.00 -1.26 0.94 105.19 108.34 3ktg n GLY 68 Ca 0.00 -0.76 -0.46 0.00 0.00 0.00 0.00 46.02 44.80 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 2.15 -0.03 1.61 2.88 0.60 -4.69 113.62 116.14 3ktg n SER 69 Ca 0.00 1.15 -0.14 0.00 -1.33 0.00 0.00 58.87 58.55 3ktg n SER 69 Cb 0.00 -1.35 -0.10 0.00 -0.75 0.00 0.00 64.21 62.01 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 2.76 1.50 -0.76 2.46 2.04 -1.98 -1.75 117.51 121.78 3ktg h ILE 70 Ca -0.44 -1.70 0.01 0.00 1.00 0.00 0.00 64.86 63.74 3ktg h ILE 70 Cb 1.30 2.53 -0.04 0.00 -0.74 0.00 0.00 36.82 39.88 3ktg h ILE 70 CO 0.71 0.46 0.50 0.71 0.00 0.00 0.00 178.15 180.54 3ktg h THR 71 N -0.45 1.19 -0.03 -0.27 1.35 -1.98 0.99 112.91 113.71 3ktg h THR 71 Ca -0.01 -0.35 -0.00 0.00 -0.55 0.00 0.00 66.41 65.49 3ktg h THR 71 Cb 0.84 0.08 -0.00 0.00 -1.73 0.00 0.00 68.15 67.34 3ktg h THR 71 CO 0.03 0.19 0.00 0.00 -0.25 0.00 0.00 175.52 175.49 3ktg h ALA 72 N 1.53 0.04 -0.74 6.62 0.00 -1.92 -2.11 119.26 122.69 3ktg h ALA 72 Ca 0.28 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3ktg h ALA 72 Cb -0.11 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3ktg h ALA 72 CO -0.06 -0.29 0.49 0.78 0.00 0.00 0.00 179.25 180.16 3ktg h GLY 73 N -0.24 1.03 1.78 0.00 0.00 -0.66 -2.05 103.07 102.93 3ktg h GLY 73 Ca 0.01 -0.36 -0.12 0.00 0.00 0.00 0.00 47.33 46.86 3ktg h GLY 73 CO 0.00 0.33 -0.48 -0.33 0.00 0.00 0.00 176.54 176.06 3ktg h MET 74 N 0.93 0.23 -0.85 4.80 2.86 -0.68 -0.78 114.93 121.44 3ktg h MET 74 Ca 0.29 -0.13 0.01 0.00 -2.06 0.00 0.00 59.70 57.81 3ktg h MET 74 Cb 0.00 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 3ktg h MET 74 CO -0.08 0.67 0.56 0.00 1.06 0.00 0.00 176.91 179.12 3ktg h ALA 75 N 1.31 1.41 -0.17 6.32 0.00 -0.67 0.41 119.26 127.88 3ktg h ALA 75 Ca 0.01 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 3ktg h ALA 75 Cb 0.92 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3ktg h ALA 75 CO 0.07 0.54 -0.68 0.82 0.00 0.00 0.00 179.25 180.00 3ktg h ILE 76 N 1.13 1.31 0.40 0.00 2.04 -1.24 -2.52 117.51 118.63 3ktg h ILE 76 Ca 0.32 -1.93 -0.02 0.00 1.00 0.00 0.00 64.86 64.22 3ktg h ILE 76 Cb -0.10 1.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 3ktg h ILE 76 CO -0.07 0.61 -0.19 0.22 0.00 0.00 0.00 178.15 178.71 3ktg h TYR 77 N 0.48 -0.50 -0.38 1.37 3.20 0.04 -1.71 116.97 119.46 3ktg h TYR 77 Ca -0.02 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 3ktg h TYR 77 Cb 1.27 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.69 3ktg h TYR 77 CO 0.07 -0.24 0.18 -0.44 -1.64 0.00 0.00 178.16 176.09 3ktg h ASP 78 N -0.67 0.47 -0.17 -2.11 3.45 -0.30 -2.37 116.42 114.72 3ktg h ASP 78 Ca -0.06 -0.04 -0.16 0.00 0.43 0.00 0.00 57.03 57.21 3ktg h ASP 78 Cb 0.48 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.13 3ktg h ASP 78 CO 0.09 0.41 -0.45 0.74 -1.57 0.00 0.00 179.24 178.46 3ktg h THR 79 N 0.53 1.29 -0.84 0.35 2.02 -1.37 0.83 112.91 115.72 3ktg h THR 79 Ca 0.14 -1.64 -0.01 0.00 0.77 0.00 0.00 66.41 65.67 3ktg h THR 79 Cb 0.06 1.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.98 3ktg h THR 79 CO -0.02 0.53 0.50 0.24 0.37 0.00 0.00 175.52 177.14 3ktg h MET 80 N 0.58 1.15 -0.02 6.66 2.86 -0.80 -2.04 114.93 123.32 3ktg h MET 80 Ca 0.04 -0.11 -0.08 0.00 -2.06 0.00 0.00 59.70 57.49 3ktg h MET 80 Cb 1.01 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.43 3ktg h MET 80 CO 0.10 0.81 -0.28 1.96 1.06 0.00 0.00 176.91 180.56 3ktg h GLN 81 N 1.16 0.23 -0.52 1.72 1.08 -1.33 -3.35 115.11 114.10 3ktg h GLN 81 Ca 0.30 -0.22 0.10 0.00 -1.45 0.00 0.00 58.65 57.39 3ktg h GLN 81 Cb -0.04 0.05 -0.08 0.00 -0.05 0.00 0.00 27.48 27.36 3ktg h GLN 81 CO -0.06 0.91 0.02 0.35 -0.95 0.00 0.00 178.83 179.10 3ktg h PHE 82 N -0.37 0.00 -4.10 2.96 3.57 -0.69 -3.43 116.94 114.89 3ktg h PHE 82 Ca -0.03 0.04 -0.48 0.00 3.53 0.00 0.00 57.97 61.03 3ktg h PHE 82 Cb 0.99 0.08 0.05 0.00 2.79 0.00 0.00 35.95 39.85 3ktg h PHE 82 CO 0.16 -0.10 0.40 0.96 -2.23 0.00 0.00 178.31 177.49 3ktg s ILE 83 N -6.16 3.61 0.21 1.41 -4.36 -0.78 -4.97 121.20 110.16 3ktg s ILE 83 Ca -0.13 0.96 -0.07 0.00 -0.26 0.00 0.00 60.65 61.15 3ktg s ILE 83 Cb 0.17 -3.39 0.09 0.00 1.25 0.00 0.00 42.46 40.58 3ktg s ILE 83 CO 0.73 -0.26 1.69 0.11 0.24 0.00 0.00 174.94 177.45 3ktg h LYS 84 N 1.27 1.02 -6.97 0.37 6.56 -1.83 -3.45 116.57 113.55 3ktg h LYS 84 Ca -0.49 -0.29 -0.55 0.00 -1.06 0.00 0.00 60.65 58.25 3ktg h LYS 84 Cb 1.23 -0.11 0.13 0.00 -0.57 0.00 0.00 32.23 32.91 3ktg h LYS 84 CO 0.58 0.98 0.61 -2.30 -2.06 0.00 0.00 179.45 177.25 3ktg n PRO 85 N -4.20 1.96 -2.84 3.15 -0.02 -1.20 -4.93 135.00 126.92 3ktg n PRO 85 Ca 0.03 0.70 -0.41 0.00 -2.02 0.00 0.00 63.50 61.81 3ktg n PRO 85 Cb 0.32 -2.55 -0.04 0.00 -0.02 0.00 0.00 33.50 31.21 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 -2.56 4.53 -0.36 -0.52 1.02 -1.26 -4.90 119.74 115.69 3ktg s LYS 86 Ca 0.65 1.23 -0.13 0.00 0.02 0.00 0.00 55.97 57.75 3ktg s LYS 86 Cb -0.45 -3.44 0.00 0.00 -0.52 0.00 0.00 37.83 33.43 3ktg s LYS 86 CO 0.54 0.04 0.24 0.08 -0.92 0.00 0.00 175.35 175.33 3ktg s VAL 87 N 0.75 5.03 0.05 3.17 1.01 -1.26 -1.46 120.40 127.69 3ktg s VAL 87 Ca 0.46 -0.51 -0.19 0.00 0.00 0.00 0.00 61.98 61.74 3ktg s VAL 87 Cb -0.20 -3.69 -0.06 0.00 0.00 0.00 0.00 36.38 32.43 3ktg s VAL 87 CO 0.25 -0.13 0.55 -0.55 0.00 0.00 0.00 175.10 175.22 3ktg s SER 88 N 1.66 7.02 -0.01 3.32 0.15 0.18 -0.57 113.70 125.46 3ktg s SER 88 Ca 0.05 1.21 0.05 0.00 0.70 0.00 0.00 55.95 57.96 3ktg s SER 88 Cb -0.18 -2.35 -0.03 0.00 -1.71 0.00 0.00 66.02 61.75 3ktg s SER 88 CO 0.09 0.26 -0.15 0.42 1.20 0.00 0.00 173.24 175.05 3ktg s THR 89 N -0.97 2.98 -0.19 6.45 -4.23 -1.00 0.40 115.64 119.07 3ktg s THR 89 Ca 0.29 -0.93 -0.01 0.00 -1.18 0.00 0.00 61.69 59.85 3ktg s THR 89 Cb -0.19 -2.21 0.05 0.00 1.34 0.00 0.00 72.50 71.49 3ktg s THR 89 CO 0.18 0.47 -0.01 -0.63 -0.54 0.00 0.00 174.62 174.08 3ktg s ILE 90 N -0.84 0.94 -0.18 2.99 1.09 -0.47 -0.34 121.20 124.39 3ktg s ILE 90 Ca 0.13 -0.73 -0.28 0.00 -1.10 0.00 0.00 60.65 58.67 3ktg s ILE 90 Cb -0.11 -1.29 -0.00 0.00 -1.06 0.00 0.00 42.46 40.01 3ktg s ILE 90 CO 0.03 -0.07 0.98 0.00 -0.10 0.00 0.00 174.94 175.78 3ktg s ILE 92 N 2.63 1.43 0.00 0.00 2.07 -0.13 -2.75 121.20 124.45 3ktg s ILE 92 Ca 0.44 -0.69 0.00 0.00 -1.41 0.00 0.00 60.65 58.98 3ktg s ILE 92 Cb -0.16 -1.24 0.00 0.00 0.13 0.00 0.00 42.46 41.18 3ktg s ILE 92 CO 0.11 0.41 0.00 0.61 -1.91 0.00 0.00 174.94 174.16 3ktg n GLY 93 N 3.34 1.41 3.06 1.50 0.00 -1.26 -4.11 105.19 109.13 3ktg n GLY 93 Ca -0.19 0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 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 1.15 -0.32 1.61 -2.45 -1.26 -0.15 119.30 117.87 3ktg s MET 94 Ca 0.00 -0.42 0.01 0.00 -1.25 0.00 0.00 55.69 54.02 3ktg s MET 94 Cb 0.00 -1.06 0.10 0.00 1.25 0.00 0.00 34.83 35.12 3ktg s MET 94 CO 0.00 0.20 0.08 0.00 1.05 0.00 0.00 175.02 176.36 3ktg s ALA 95 N -0.03 1.92 0.21 4.11 0.00 -0.37 -1.08 121.76 126.52 3ktg s ALA 95 Ca -0.00 -1.92 0.10 0.00 0.00 0.00 0.00 51.96 50.13 3ktg s ALA 95 Cb -0.08 -1.72 -0.05 0.00 0.00 0.00 0.00 23.12 21.28 3ktg s ALA 95 CO 0.00 -1.67 -0.18 0.00 0.00 0.00 0.00 175.76 173.91 3ktg s ALA 96 N 1.41 2.27 0.00 0.00 0.00 -0.91 -1.37 121.76 123.16 3ktg s ALA 96 Ca 0.10 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.39 3ktg s ALA 96 Cb -0.18 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.76 3ktg s ALA 96 CO -0.20 0.21 0.00 0.45 0.00 0.00 0.00 175.76 176.21 3ktg n SER 97 N -0.20 0.00 0.13 0.00 2.88 -0.26 -0.21 113.62 115.96 3ktg n SER 97 Ca -0.09 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.64 3ktg n SER 97 Cb 0.59 0.00 0.75 0.00 -0.75 0.00 0.00 64.21 64.79 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 -0.32 -1.46 2.07 -1.83 0.28 114.93 113.66 3ktg h MET 98 Ca 0.00 0.00 -0.13 0.00 -2.07 0.00 0.00 59.70 57.50 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 -0.33 0.78 1.07 0.00 0.00 176.91 178.43 3ktg h GLY 99 N 0.00 0.78 1.01 8.32 0.00 -0.86 -0.75 103.07 111.57 3ktg h GLY 99 Ca 0.16 -0.74 -0.13 0.00 0.00 0.00 0.00 47.33 46.62 3ktg h GLY 99 CO -0.00 0.67 -0.32 0.00 0.00 0.00 0.00 176.54 176.89 3ktg h ALA 100 N 1.02 0.45 -0.61 3.60 0.00 -0.35 -2.20 119.26 121.18 3ktg h ALA 100 Ca 0.06 -0.42 0.08 0.00 0.00 0.00 0.00 54.91 54.63 3ktg h ALA 100 Cb 0.86 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 3ktg h ALA 100 CO 0.07 0.50 0.28 0.35 0.00 0.00 0.00 179.25 180.45 3ktg h PHE 101 N 0.52 0.50 -0.24 0.00 3.57 -1.04 -0.96 116.94 119.28 3ktg h PHE 101 Ca 0.05 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.46 3ktg h PHE 101 Cb 0.90 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 3ktg h PHE 101 CO 0.07 0.19 -0.35 -0.07 -2.23 0.00 0.00 178.31 175.92 3ktg h LEU 102 N 0.51 0.53 -0.58 0.59 3.38 -1.05 -2.20 115.31 116.49 3ktg h LEU 102 Ca 0.29 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3ktg h LEU 102 Cb 0.29 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3ktg h LEU 102 CO -0.24 0.84 0.37 0.25 0.09 0.00 0.00 178.44 179.75 3ktg h LEU 103 N 0.44 0.68 -0.69 1.67 5.85 -0.67 -1.33 115.31 121.26 3ktg h LEU 103 Ca 0.05 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3ktg h LEU 103 Cb 0.81 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.67 3ktg h LEU 103 CO 0.07 0.52 0.00 0.00 -0.34 0.00 0.00 178.44 178.69 3ktg h ALA 104 N 1.19 1.00 -0.01 1.25 0.00 -0.92 -2.83 119.26 118.94 3ktg h ALA 104 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3ktg h ALA 104 Cb -0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3ktg h ALA 104 CO -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 179.25 179.18 3ktg n ALA 105 N -1.82 2.67 -1.07 0.00 0.00 -0.51 -4.87 120.51 114.91 3ktg n ALA 105 Ca 0.02 -0.31 -0.30 0.00 0.00 0.00 0.00 53.44 52.86 3ktg n ALA 105 Cb 0.27 -1.34 0.15 0.00 0.00 0.00 0.00 19.45 18.53 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 -2.12 1.63 0.17 0.00 0.00 -1.07 -4.90 107.32 101.03 3ktg s GLY 106 Ca 0.40 0.08 -0.32 0.00 0.00 0.00 0.00 44.72 44.88 3ktg s GLY 106 CO 0.38 0.56 1.74 -2.21 0.00 0.00 0.00 173.10 173.57 3ktg n GLU 107 N -3.98 2.66 -1.56 2.90 4.07 0.27 -4.85 120.64 120.14 3ktg n GLU 107 Ca 0.08 0.96 -0.50 0.00 -0.06 0.00 0.00 57.16 57.63 3ktg n GLU 107 Cb 0.54 -2.81 -0.05 0.00 -0.06 0.00 0.00 31.44 29.07 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 4.40 0.98 -0.07 5.31 3.00 -1.26 -0.47 118.16 130.05 3ktg n LYS 108 Ca 0.17 0.35 0.00 0.00 -0.00 0.00 0.00 58.31 58.83 3ktg n LYS 108 Cb 0.34 -1.85 0.00 0.00 0.00 0.00 0.00 35.03 33.52 3ktg n LYS 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ktg n GLY 109 N 2.06 2.15 0.81 3.14 0.00 -1.26 -4.83 105.19 107.27 3ktg n GLY 109 Ca 0.16 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.24 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 1.23 -3.66 1.61 5.02 0.38 -4.87 118.16 115.88 3ktg n LYS 110 Ca 0.00 -3.01 -0.38 0.00 -2.02 0.00 0.00 58.31 52.90 3ktg n LYS 110 Cb 0.00 -1.25 -0.12 0.00 -0.02 0.00 0.00 35.03 33.64 3ktg n LYS 110 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3ktg s ARG 111 N -2.50 3.41 0.39 1.97 0.52 -1.24 -2.39 118.95 119.13 3ktg s ARG 111 Ca 0.37 -0.67 0.07 0.00 -0.52 0.00 0.00 55.73 54.98 3ktg s ARG 111 Cb 0.37 -3.56 -0.08 0.00 0.52 0.00 0.00 34.95 32.21 3ktg s ARG 111 CO -0.09 -0.38 0.00 0.71 0.02 0.00 0.00 175.30 175.56 3ktg s TYR 112 N 1.63 2.44 -0.08 -0.53 1.51 0.53 -0.33 117.35 122.53 3ktg s TYR 112 Ca 0.05 -0.68 -0.24 0.00 -1.01 0.00 0.00 57.07 55.19 3ktg s TYR 112 Cb -0.17 -1.68 0.05 0.00 -0.11 0.00 0.00 41.96 40.06 3ktg s TYR 112 CO 0.06 0.42 0.55 0.00 -1.11 0.00 0.00 175.55 175.47 3ktg s ALA 113 N -2.77 -1.40 0.36 3.71 0.00 -1.08 -0.66 121.76 119.92 3ktg s ALA 113 Ca 0.35 1.09 -0.07 0.00 0.00 0.00 0.00 51.96 53.33 3ktg s ALA 113 Cb 0.09 -0.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.97 3ktg s ALA 113 CO 0.17 -0.32 0.67 -0.51 0.00 0.00 0.00 175.76 175.78 3ktg s LEU 114 N -0.90 3.91 0.16 0.00 1.43 -1.11 -1.06 118.68 121.11 3ktg s LEU 114 Ca -0.09 0.88 -0.05 0.00 -1.03 0.00 0.00 54.13 53.84 3ktg s LEU 114 Cb -0.02 -3.74 0.26 0.00 0.03 0.00 0.00 46.19 42.71 3ktg s LEU 114 CO 0.06 -0.33 0.92 -2.65 0.23 0.00 0.00 176.35 174.58 3ktg n PRO 115 N -1.33 -0.06 -0.75 1.29 -0.02 -1.25 -0.82 135.00 132.07 3ktg n PRO 115 Ca -0.00 0.92 0.05 0.00 -2.02 0.00 0.00 63.50 62.45 3ktg n PRO 115 Cb 0.54 -1.37 0.33 0.00 -0.02 0.00 0.00 33.50 32.99 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 -4.95 4.85 -4.75 2.55 4.13 -1.26 -4.48 115.26 111.34 3ktg n ASN 116 Ca 0.09 -3.04 -0.31 0.00 1.68 0.00 0.00 54.58 53.01 3ktg n ASN 116 Cb 0.29 -0.64 0.11 0.00 -1.54 0.00 0.00 39.78 38.00 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 -1.30 4.13 0.05 6.41 0.01 0.00 -4.79 113.70 118.21 3ktg s SER 117 Ca 0.50 1.71 0.04 0.00 1.31 0.00 0.00 55.95 59.51 3ktg s SER 117 Cb 0.39 -2.40 -0.02 0.00 0.21 0.00 0.00 66.02 64.20 3ktg s SER 117 CO 0.12 -2.26 -0.11 -0.70 0.41 0.00 0.00 173.24 170.71 3ktg s GLU 118 N -4.91 0.67 0.00 12.44 2.12 0.78 -3.16 118.70 126.64 3ktg s GLU 118 Ca 0.62 -0.80 0.02 0.00 0.36 0.00 0.00 54.97 55.17 3ktg s GLU 118 Cb -0.17 -0.56 -0.01 0.00 0.26 0.00 0.00 34.13 33.65 3ktg s GLU 118 CO 0.56 0.12 -0.07 0.08 -0.54 0.00 0.00 175.26 175.42 3ktg s VAL 119 N -1.23 0.53 -0.02 3.70 1.01 -0.19 -1.24 120.40 122.96 3ktg s VAL 119 Ca -0.05 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.54 3ktg s VAL 119 Cb -0.09 -0.47 0.02 0.00 0.00 0.00 0.00 36.38 35.84 3ktg s VAL 119 CO 0.01 0.07 -0.01 -0.32 0.00 0.00 0.00 175.10 174.85 3ktg s MET 120 N -0.36 0.35 0.13 2.72 1.75 -0.47 0.52 119.30 123.93 3ktg s MET 120 Ca 0.01 0.01 0.11 0.00 -1.25 0.00 0.00 55.69 54.56 3ktg s MET 120 Cb -0.04 -0.46 -0.04 0.00 2.84 0.00 0.00 34.83 37.13 3ktg s MET 120 CO -0.00 -0.08 -0.27 0.96 -0.65 0.00 0.00 175.02 174.99 3ktg s ILE 121 N 0.73 2.28 0.08 10.11 -4.36 -0.29 -1.10 121.20 128.65 3ktg s ILE 121 Ca -0.08 -1.73 -0.27 0.00 -0.26 0.00 0.00 60.65 58.31 3ktg s ILE 121 Cb -0.11 -2.00 0.08 0.00 1.25 0.00 0.00 42.46 41.68 3ktg s ILE 121 CO -0.01 0.10 1.00 -1.38 0.24 0.00 0.00 174.94 174.89 3ktg s HIS 122 N -1.05 -0.16 0.69 1.37 -3.43 -1.26 -0.99 115.29 110.45 3ktg s HIS 122 Ca 0.14 -0.07 -0.11 0.00 -0.80 0.00 0.00 55.06 54.22 3ktg s HIS 122 Cb -0.10 0.60 0.00 0.00 -1.43 0.00 0.00 32.58 31.65 3ktg s HIS 122 CO 0.06 -0.67 1.07 1.14 -2.00 0.00 0.00 174.74 174.34 3ktg s GLN 123 N -3.10 3.00 0.71 -0.38 -2.07 0.10 -4.93 119.66 113.00 3ktg s GLN 123 Ca 0.11 0.71 -0.16 0.00 -1.82 0.00 0.00 55.36 54.20 3ktg s GLN 123 Cb -0.00 -2.02 0.02 0.00 -1.09 0.00 0.00 33.01 29.92 3ktg s GLN 123 CO -0.01 -0.99 1.21 -2.30 -1.32 0.00 0.00 175.29 171.88 3ktg n PRO 124 N -3.02 0.73 -4.30 9.60 -0.02 -1.26 -5.05 135.00 131.67 3ktg n PRO 124 Ca 0.07 0.31 -0.28 0.00 -2.02 0.00 0.00 63.50 61.57 3ktg n PRO 124 Cb 0.55 -2.45 -0.11 0.00 -0.02 0.00 0.00 33.50 31.48 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 -4.50 2.78 0.00 2.45 1.43 -1.26 -5.10 118.68 114.48 3ktg s LEU 125 Ca 0.78 -0.58 -0.03 0.00 -1.03 0.00 0.00 54.13 53.27 3ktg s LEU 125 Cb -0.35 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.32 3ktg s LEU 125 CO 0.45 0.15 0.13 0.61 0.23 0.00 0.00 176.35 177.93 3ktg n GLY 126 N 0.53 1.09 3.44 -3.19 0.00 -1.26 -5.08 105.19 100.72 3ktg n GLY 126 Ca -0.14 -0.93 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.21 0.93 -0.28 -0.02 0.00 -1.26 -5.16 107.32 99.31 3ktg s GLY 127 Ca 0.03 -1.22 -0.19 0.00 0.00 0.00 0.00 44.72 43.34 3ktg s GLY 127 CO 0.01 -0.93 0.86 0.00 0.00 0.00 0.00 173.10 173.04 3ktg s ALA 128 N -4.01 -2.04 0.05 3.20 0.00 -1.26 -4.94 121.76 112.76 3ktg s ALA 128 Ca 0.29 2.20 0.01 0.00 0.00 0.00 0.00 51.96 54.46 3ktg s ALA 128 Cb 0.02 -1.51 -0.03 0.00 0.00 0.00 0.00 23.12 21.60 3ktg s ALA 128 CO 0.11 -0.34 -0.06 -1.14 0.00 0.00 0.00 175.76 174.34 3ktg s GLN 129 N 1.14 0.58 0.00 0.00 2.00 -1.26 -5.01 119.66 117.11 3ktg s GLN 129 Ca -0.06 -0.97 0.00 0.00 -2.00 0.00 0.00 55.36 52.33 3ktg s GLN 129 Cb -0.04 -0.09 0.00 0.00 0.80 0.00 0.00 33.01 33.67 3ktg s GLN 129 CO -0.13 -0.02 0.00 0.41 -0.50 0.00 0.00 175.29 175.05 3ktg n GLY 130 N 0.84 -0.58 3.66 2.59 0.00 -1.26 -4.67 105.19 105.77 3ktg n GLY 130 Ca -0.19 -2.15 -0.30 0.00 0.00 0.00 0.00 46.02 43.38 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 0.83 0.16 1.61 -0.21 -1.26 -4.74 119.66 116.06 3ktg s GLN 131 Ca 0.00 1.18 -0.16 0.00 0.02 0.00 0.00 55.36 56.40 3ktg s GLN 131 Cb 0.00 -1.73 0.09 0.00 1.00 0.00 0.00 33.01 32.37 3ktg s GLN 131 CO 0.00 -2.64 1.70 0.00 -2.12 0.00 0.00 175.29 172.24 3ktg h ALA 132 N -1.86 0.35 -0.79 6.09 0.00 -1.99 -0.55 119.26 120.52 3ktg h ALA 132 Ca -0.49 0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.63 3ktg h ALA 132 Cb 1.28 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 19.17 3ktg h ALA 132 CO 0.48 -0.39 0.43 1.79 0.00 0.00 0.00 179.25 181.56 3ktg h THR 133 N 0.11 0.88 -0.69 0.00 1.35 -1.99 -0.05 112.91 112.51 3ktg h THR 133 Ca 0.18 -0.25 -0.07 0.00 -0.55 0.00 0.00 66.41 65.73 3ktg h THR 133 Cb 0.25 0.09 -0.03 0.00 -1.73 0.00 0.00 68.15 66.74 3ktg h THR 133 CO -0.30 0.13 0.15 -0.33 -0.25 0.00 0.00 175.52 174.92 3ktg h GLU 134 N 0.72 1.13 -0.19 4.72 5.08 -1.58 -1.67 114.58 122.79 3ktg h GLU 134 Ca 0.39 -0.28 -0.13 0.00 -1.00 0.00 0.00 59.36 58.34 3ktg h GLU 134 Cb 0.39 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3ktg h GLU 134 CO -0.26 1.01 -0.43 0.82 -1.00 0.00 0.00 179.01 179.14 3ktg h ILE 135 N 1.06 1.31 -0.30 3.13 2.04 -0.23 -2.55 117.51 121.98 3ktg h ILE 135 Ca 0.22 -1.60 -0.03 0.00 1.00 0.00 0.00 64.86 64.44 3ktg h ILE 135 Cb 0.40 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 3ktg h ILE 135 CO 0.01 0.49 0.06 -0.08 0.00 0.00 0.00 178.15 178.63 3ktg h GLU 136 N 0.36 0.48 -0.45 2.37 4.81 -0.80 0.55 114.58 121.90 3ktg h GLU 136 Ca 0.03 -0.12 0.06 0.00 -0.13 0.00 0.00 59.36 59.19 3ktg h GLU 136 Cb 0.90 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.17 3ktg h GLU 136 CO 0.08 0.57 0.16 0.82 -0.73 0.00 0.00 179.01 179.91 3ktg h ILE 137 N 0.31 0.86 -0.36 2.32 2.04 -1.16 0.36 117.51 121.87 3ktg h ILE 137 Ca 0.09 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 65.79 3ktg h ILE 137 Cb 0.32 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 3ktg h ILE 137 CO 0.00 0.06 0.02 0.00 0.00 0.00 0.00 178.15 178.23 3ktg h ALA 138 N 1.29 0.49 -0.04 1.87 0.00 -1.30 -1.64 119.26 119.93 3ktg h ALA 138 Ca 0.21 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3ktg h ALA 138 Cb 0.21 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3ktg h ALA 138 CO -0.21 0.24 -0.20 0.00 0.00 0.00 0.00 179.25 179.08 3ktg h ALA 139 N 0.88 -0.22 -0.69 0.00 0.00 -0.42 -0.26 119.26 118.56 3ktg h ALA 139 Ca 0.11 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.08 3ktg h ALA 139 Cb 0.43 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 3ktg h ALA 139 CO 0.02 -0.68 0.40 0.87 0.00 0.00 0.00 179.25 179.85 3ktg h LYS 140 N -0.30 0.73 -0.20 0.00 1.57 -0.86 -0.92 116.57 116.59 3ktg h LYS 140 Ca 0.07 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3ktg h LYS 140 Cb 0.39 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3ktg h LYS 140 CO -0.21 0.48 0.12 -0.09 -0.57 0.00 0.00 179.45 179.18 3ktg h ARG 141 N 0.75 0.28 -0.15 3.15 2.43 -0.57 0.04 114.38 120.30 3ktg h ARG 141 Ca 0.30 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.32 3ktg h ARG 141 Cb 0.14 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3ktg h ARG 141 CO -0.16 0.24 -0.43 0.97 -1.51 0.00 0.00 179.97 179.08 3ktg h ILE 142 N 0.23 1.31 -0.45 1.20 2.10 -0.77 0.96 117.51 122.10 3ktg h ILE 142 Ca 0.07 -1.60 -0.11 0.00 1.08 0.00 0.00 64.86 64.31 3ktg h ILE 142 Cb 0.04 1.67 -0.02 0.00 -1.09 0.00 0.00 36.82 37.42 3ktg h ILE 142 CO -0.01 0.49 -0.15 -0.07 -1.08 0.00 0.00 178.15 177.32 3ktg h LEU 143 N 0.30 0.84 -0.29 2.19 3.38 -1.01 -0.15 115.31 120.57 3ktg h LEU 143 Ca 0.02 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 3ktg h LEU 143 Cb 0.89 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3ktg h LEU 143 CO 0.07 0.99 0.02 0.25 0.09 0.00 0.00 178.44 179.87 3ktg h LEU 144 N 0.75 0.48 -0.46 1.67 6.46 -0.55 -1.96 115.31 121.71 3ktg h LEU 144 Ca 0.12 -0.29 0.00 0.00 -0.12 0.00 0.00 57.88 57.59 3ktg h LEU 144 Cb 0.66 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.44 3ktg h LEU 144 CO 0.05 0.65 0.29 -0.07 -0.62 0.00 0.00 178.44 178.74 3ktg h LEU 145 N 0.30 0.54 -0.20 2.25 3.38 -0.54 -0.46 115.31 120.58 3ktg h LEU 145 Ca 0.08 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.05 3ktg h LEU 145 Cb 0.39 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3ktg h LEU 145 CO 0.01 0.41 0.02 -0.09 0.09 0.00 0.00 178.44 178.88 3ktg h ARG 146 N 0.61 0.09 -0.79 1.13 2.43 -0.92 -0.14 114.38 116.78 3ktg h ARG 146 Ca 0.16 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3ktg h ARG 146 Cb -0.03 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 3ktg h ARG 146 CO -0.03 0.06 0.49 0.22 -1.51 0.00 0.00 179.97 179.20 3ktg h ASP 147 N 0.09 0.93 -0.05 -3.80 3.58 -1.06 -0.31 116.42 115.80 3ktg h ASP 147 Ca 0.09 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.49 3ktg h ASP 147 Cb 0.11 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 40.92 3ktg h ASP 147 CO -0.14 0.70 0.03 0.50 -2.88 0.00 0.00 179.24 177.45 3ktg h LYS 148 N 1.07 0.07 -0.81 0.28 3.64 -0.43 -1.61 116.57 118.79 3ktg h LYS 148 Ca 0.28 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.64 3ktg h LYS 148 Cb -0.07 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.69 3ktg h LYS 148 CO -0.06 0.05 0.43 -0.07 -2.27 0.00 0.00 179.45 177.54 3ktg h LEU 149 N 0.07 1.03 -0.93 5.20 3.38 -0.76 -2.51 115.31 120.78 3ktg h LEU 149 Ca 0.02 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.89 3ktg h LEU 149 Cb -0.00 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.44 3ktg h LEU 149 CO -0.00 0.84 0.62 0.78 0.09 0.00 0.00 178.44 180.76 3ktg h ASN 150 N 1.13 1.06 -0.84 -0.43 2.35 -0.80 -0.09 115.58 117.97 3ktg h ASN 150 Ca 0.28 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.98 3ktg h ASN 150 Cb 0.05 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.12 3ktg h ASN 150 CO -0.04 0.77 0.43 0.11 -1.65 0.00 0.00 177.43 177.04 3ktg h LYS 151 N 1.25 1.19 -0.22 0.81 1.57 -0.86 -0.49 116.57 119.83 3ktg h LYS 151 Ca 0.34 -0.16 -0.12 0.00 -1.87 0.00 0.00 60.65 58.85 3ktg h LYS 151 Cb -0.13 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 31.95 3ktg h LYS 151 CO -0.08 0.90 -0.32 0.28 -0.57 0.00 0.00 179.45 179.66 3ktg h VAL 152 N 1.19 1.32 -0.66 0.50 2.07 -1.13 -2.17 116.25 117.38 3ktg h VAL 152 Ca 0.29 -1.53 0.04 0.00 0.82 0.00 0.00 66.70 66.32 3ktg h VAL 152 Cb 0.08 1.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 3ktg h VAL 152 CO -0.04 0.47 0.40 -0.07 0.02 0.00 0.00 177.57 178.35 3ktg h LEU 153 N 0.29 0.64 0.21 2.57 3.38 -0.80 0.17 115.31 121.77 3ktg h LEU 153 Ca 0.02 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.01 3ktg h LEU 153 Cb 0.90 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 3ktg h LEU 153 CO 0.07 0.43 -0.29 0.00 0.09 0.00 0.00 178.44 178.75 3ktg h ALA 154 N 1.30 -0.55 -0.31 1.53 0.00 -1.04 0.20 119.26 120.39 3ktg h ALA 154 Ca 0.27 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.16 3ktg h ALA 154 Cb 0.07 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 3ktg h ALA 154 CO -0.13 -0.85 0.04 0.93 0.00 0.00 0.00 179.25 179.23 3ktg h GLU 155 N -0.56 0.13 -0.66 0.00 5.08 -0.92 0.67 114.58 118.33 3ktg h GLU 155 Ca 0.01 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 3ktg h GLU 155 Cb 0.55 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3ktg h GLU 155 CO -0.11 0.09 0.07 0.00 -1.00 0.00 0.00 179.01 178.05 3ktg h ARG 156 N 0.14 1.11 0.03 2.33 2.47 -0.40 -3.23 114.38 116.83 3ktg h ARG 156 Ca 0.15 -0.32 -0.28 0.00 -1.26 0.00 0.00 59.98 58.27 3ktg h ARG 156 Cb 0.18 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.35 3ktg h ARG 156 CO -0.22 1.04 -1.54 1.79 0.56 0.00 0.00 179.97 181.60 3ktg h THR 157 N 1.03 1.08 0.00 2.04 1.35 -0.46 -3.47 112.91 114.48 3ktg h THR 157 Ca 0.19 -2.85 0.00 0.00 -0.55 0.00 0.00 66.41 63.21 3ktg h THR 157 Cb 0.49 2.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.50 3ktg h THR 157 CO 0.02 0.69 0.00 0.61 -0.25 0.00 0.00 175.52 176.59 3ktg n GLY 158 N 1.57 0.63 3.82 5.82 0.00 0.23 -4.52 105.19 112.75 3ktg n GLY 158 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.76 4.17 0.59 1.61 -1.52 -1.13 -4.99 119.66 117.63 3ktg s GLN 159 Ca 0.00 1.10 -0.18 0.00 -1.95 0.00 0.00 55.36 54.33 3ktg s GLN 159 Cb 0.00 -2.17 -0.03 0.00 -0.22 0.00 0.00 33.01 30.59 3ktg s GLN 159 CO 0.00 -0.09 1.14 -1.25 -0.25 0.00 0.00 175.29 174.85 3ktg s PRO 160 N -3.34 3.07 0.22 2.91 0.04 -1.26 -4.51 135.00 132.13 3ktg s PRO 160 Ca 0.62 1.60 -0.07 0.00 0.04 0.00 0.00 61.00 63.18 3ktg s PRO 160 Cb -0.09 -1.97 0.31 0.00 0.04 0.00 0.00 34.50 32.79 3ktg s PRO 160 CO 0.16 -1.07 1.79 1.25 0.04 0.00 0.00 177.00 179.17 3ktg h LEU 161 N 0.75 0.50 -0.83 -3.56 5.85 -1.93 -1.55 115.31 114.54 3ktg h LEU 161 Ca -0.49 0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.37 3ktg h LEU 161 Cb 1.27 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 42.18 3ktg h LEU 161 CO 0.55 0.30 0.48 -0.33 -0.34 0.00 0.00 178.44 179.11 3ktg h GLU 162 N 0.64 0.79 -0.32 1.25 4.39 -1.98 -0.78 114.58 118.57 3ktg h GLU 162 Ca 0.34 -0.05 -0.12 0.00 0.34 0.00 0.00 59.36 59.87 3ktg h GLU 162 Cb 0.31 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 3ktg h GLU 162 CO -0.24 0.52 -0.29 0.28 -1.16 0.00 0.00 179.01 178.12 3ktg h VAL 163 N 0.82 1.28 -0.46 3.13 2.07 -1.67 -1.63 116.25 119.78 3ktg h VAL 163 Ca 0.40 -1.41 -0.09 0.00 0.82 0.00 0.00 66.70 66.41 3ktg h VAL 163 Cb 0.35 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 3ktg h VAL 163 CO -0.24 0.46 -0.08 0.40 0.02 0.00 0.00 177.57 178.13 3ktg h ILE 164 N 0.58 1.26 0.14 4.57 1.08 -0.66 -0.32 117.51 124.16 3ktg h ILE 164 Ca 0.07 -1.15 -0.01 0.00 -0.39 0.00 0.00 64.86 63.39 3ktg h ILE 164 Cb 0.79 0.99 0.00 0.00 -3.07 0.00 0.00 36.82 35.53 3ktg h ILE 164 CO 0.07 0.40 -0.07 -0.33 -0.69 0.00 0.00 178.15 177.52 3ktg h GLU 165 N 0.75 -0.19 -0.71 2.37 5.08 -0.95 -2.62 114.58 118.32 3ktg h GLU 165 Ca 0.13 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 3ktg h GLU 165 Cb 0.57 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 3ktg h GLU 165 CO 0.03 0.03 0.21 -0.09 -1.00 0.00 0.00 179.01 178.19 3ktg h ARG 166 N -0.38 1.11 0.00 2.33 2.43 -1.25 -3.06 114.38 115.56 3ktg h ARG 166 Ca -0.02 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 3ktg h ARG 166 Cb 0.30 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3ktg h ARG 166 CO 0.03 0.96 0.00 -0.44 -1.51 0.00 0.00 179.97 179.01 3ktg h ASP 167 N 1.05 0.00 -0.37 -3.80 5.19 -0.98 -3.09 116.42 114.42 3ktg h ASP 167 Ca 0.23 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.64 3ktg h ASP 167 Cb 0.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.83 3ktg h ASP 167 CO -0.00 0.00 0.00 0.35 -3.12 0.00 0.00 179.24 176.47 3ktg n THR 168 N -2.43 1.26 -0.12 0.35 -2.24 -0.99 -4.55 114.28 105.55 3ktg n THR 168 Ca 0.02 -1.16 0.03 0.00 -2.27 0.00 0.00 64.05 60.67 3ktg n THR 168 Cb 0.26 0.35 0.34 0.00 -2.10 0.00 0.00 70.33 69.17 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 2.21 0.67 -5.17 3.42 -0.00 -1.53 0.33 116.42 116.34 3ktg h ASP 169 Ca 0.00 -0.01 -0.13 0.00 -0.00 0.00 0.00 57.03 56.88 3ktg h ASP 169 Cb 0.91 -0.16 -0.15 0.00 -0.00 0.00 0.00 39.33 39.92 3ktg h ASP 169 CO 0.05 0.48 -0.68 -0.13 -0.00 0.00 0.00 179.24 178.95 3ktg s ARG 170 N -5.68 0.62 -0.11 0.28 1.81 -1.26 -4.75 118.95 109.86 3ktg s ARG 170 Ca -0.10 -1.21 -0.40 0.00 -1.72 0.00 0.00 55.73 52.30 3ktg s ARG 170 Cb 0.18 0.17 -0.19 0.00 -0.45 0.00 0.00 34.95 34.66 3ktg s ARG 170 CO 0.76 -0.10 1.33 -0.25 -0.68 0.00 0.00 175.30 176.36 3ktg n ASP 171 N 0.15 0.99 -3.91 0.23 8.00 -1.26 -4.71 116.55 116.04 3ktg n ASP 171 Ca -0.14 1.14 -0.30 0.00 0.71 0.00 0.00 54.79 56.20 3ktg n ASP 171 Cb 0.61 -1.02 -0.15 0.00 -0.02 0.00 0.00 41.12 40.54 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 1.16 4.14 -0.01 -2.24 3.04 -0.17 -4.99 114.94 115.88 3ktg s ASN 172 Ca 0.93 -1.56 -0.16 0.00 0.04 0.00 0.00 52.86 52.10 3ktg s ASN 172 Cb -1.20 -1.21 -0.06 0.00 -1.54 0.00 0.00 41.25 37.24 3ktg s ASN 172 CO 0.60 -0.32 0.46 -0.36 -3.04 0.00 0.00 177.10 174.44 3ktg s PHE 173 N 1.32 3.70 0.01 0.43 0.08 -1.26 -1.14 117.98 121.13 3ktg s PHE 173 Ca 0.03 1.04 0.01 0.00 0.12 0.00 0.00 56.93 58.13 3ktg s PHE 173 Cb -0.18 -2.39 -0.01 0.00 -0.57 0.00 0.00 43.02 39.86 3ktg s PHE 173 CO -0.12 0.54 -0.05 0.15 -0.10 0.00 0.00 175.22 175.64 3ktg s LYS 174 N -0.74 0.37 0.94 0.44 1.02 0.18 -4.99 119.74 116.96 3ktg s LYS 174 Ca 0.25 -0.40 -0.16 0.00 0.02 0.00 0.00 55.97 55.69 3ktg s LYS 174 Cb -0.17 -0.23 0.23 0.00 -0.52 0.00 0.00 37.83 37.14 3ktg s LYS 174 CO 0.14 0.05 1.04 -1.13 -0.92 0.00 0.00 175.35 174.53 3ktg n SER 175 N 2.31 -0.91 -0.13 2.83 3.41 -1.26 -1.02 113.62 118.84 3ktg n SER 175 Ca -0.17 -1.24 -0.10 0.00 -0.26 0.00 0.00 58.87 57.10 3ktg n SER 175 Cb 0.57 -0.86 0.04 0.00 -0.26 0.00 0.00 64.21 63.70 3ktg n SER 175 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ktg h ALA 176 N -2.22 0.78 0.02 7.33 0.00 -1.77 -1.52 119.26 121.88 3ktg h ALA 176 Ca -0.36 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.17 3ktg h ALA 176 Cb 1.04 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3ktg h ALA 176 CO 0.24 0.66 -0.01 0.93 0.00 0.00 0.00 179.25 181.07 3ktg h GLU 177 N 0.79 -0.03 -0.22 0.00 3.07 -1.91 -0.57 114.58 115.70 3ktg h GLU 177 Ca 0.11 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 3ktg h GLU 177 Cb 0.75 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.66 3ktg h GLU 177 CO 0.06 0.16 0.14 0.93 -1.40 0.00 0.00 179.01 178.90 3ktg h GLU 178 N -0.22 0.30 -0.32 2.33 5.08 -1.90 0.66 114.58 120.51 3ktg h GLU 178 Ca -0.00 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 3ktg h GLU 178 Cb 0.21 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3ktg h GLU 178 CO 0.01 0.21 -0.15 0.00 -1.00 0.00 0.00 179.01 178.07 3ktg h ALA 179 N 1.85 0.45 -0.02 3.43 0.00 -0.87 -1.72 119.26 122.38 3ktg h ALA 179 Ca 0.08 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 3ktg h ALA 179 Cb -0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3ktg h ALA 179 CO -0.02 0.34 0.01 1.25 0.00 0.00 0.00 179.25 180.83 3ktg h LEU 180 N 0.42 0.02 -0.31 0.00 5.85 -0.02 -0.63 115.31 120.64 3ktg h LEU 180 Ca 0.07 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3ktg h LEU 180 Cb 0.67 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.70 3ktg h LEU 180 CO 0.05 0.14 0.00 -0.62 -0.34 0.00 0.00 178.44 177.67 3ktg n GLU 181 N -5.01 0.06 0.02 1.25 1.02 0.12 -1.35 120.64 116.75 3ktg n GLU 181 Ca -0.07 0.37 0.11 0.00 -0.02 0.00 0.00 57.16 57.55 3ktg n GLU 181 Cb 0.09 -1.64 -0.09 0.00 -0.02 0.00 0.00 31.44 29.78 3ktg n GLU 181 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 3ktg n TYR 182 N -1.76 0.24 -0.29 -0.32 9.36 -0.65 -4.98 117.16 118.75 3ktg n TYR 182 Ca 0.02 0.07 0.00 0.00 3.32 0.00 0.00 57.90 61.31 3ktg n TYR 182 Cb 0.15 -0.51 0.00 0.00 -0.63 0.00 0.00 39.34 38.35 3ktg n TYR 182 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3ktg n GLY 183 N 1.30 0.84 0.11 2.98 0.00 -0.45 -4.71 105.19 105.26 3ktg n GLY 183 Ca -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 46.02 45.84 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 -8.78 0.99 3.38 -1.36 -3.36 115.31 106.18 3ktg h LEU 184 Ca 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 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 0.65 -0.64 0.27 0.09 0.00 0.00 178.44 178.81 3ktg s ILE 185 N -2.88 0.62 -0.05 1.22 -4.36 -1.22 -4.07 121.20 110.46 3ktg s ILE 185 Ca 0.02 -1.99 0.11 0.00 -0.26 0.00 0.00 60.65 58.54 3ktg s ILE 185 Cb 0.08 -2.39 -0.17 0.00 1.25 0.00 0.00 42.46 41.23 3ktg s ILE 185 CO 0.77 -0.23 0.19 0.47 0.24 0.00 0.00 174.94 176.38 3ktg n ASP 186 N -0.36 2.23 -3.61 4.36 8.00 0.55 -4.52 116.55 123.20 3ktg n ASP 186 Ca -0.03 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.31 3ktg n ASP 186 Cb 0.65 1.28 -0.07 0.00 -0.02 0.00 0.00 41.12 42.96 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 -2.64 0.91 -0.35 -1.24 2.20 -0.98 -5.01 119.74 112.63 3ktg s LYS 187 Ca -0.05 0.08 -0.09 0.00 -0.36 0.00 0.00 55.97 55.55 3ktg s LYS 187 Cb 0.06 0.42 0.03 0.00 -1.51 0.00 0.00 37.83 36.83 3ktg s LYS 187 CO 0.49 -0.28 0.16 0.42 -0.36 0.00 0.00 175.35 175.79 3ktg s ILE 188 N -1.26 4.30 0.18 5.43 1.01 -1.26 -2.65 121.20 126.95 3ktg s ILE 188 Ca -0.12 -0.89 -0.30 0.00 0.00 0.00 0.00 60.65 59.34 3ktg s ILE 188 Cb -0.02 -3.38 -0.08 0.00 0.01 0.00 0.00 42.46 38.99 3ktg s ILE 188 CO 0.08 -0.17 1.13 -0.76 0.00 0.00 0.00 174.94 175.21 3ktg s LEU 189 N 1.51 4.48 -0.02 2.97 1.43 -0.23 -4.90 118.68 123.92 3ktg s LEU 189 Ca 0.01 2.14 -0.01 0.00 -1.03 0.00 0.00 54.13 55.25 3ktg s LEU 189 Cb -0.19 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.42 3ktg s LEU 189 CO 0.05 -0.27 -0.02 0.41 0.23 0.00 0.00 176.35 176.75 3ktg n THR 190 N 2.37 0.10 -4.30 5.49 -1.04 -1.26 -3.78 114.28 111.86 3ktg n THR 190 Ca 0.03 -0.03 -0.23 0.00 -2.04 0.00 0.00 64.05 61.78 3ktg n THR 190 Cb 0.46 -1.15 -0.07 0.00 -1.82 0.00 0.00 70.33 67.74 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 -2.03 2.66 -2.00 -1.42 3.76 -1.26 -4.97 115.29 110.02 3ktg s HIS 191 Ca -0.02 -0.24 0.07 0.00 -0.15 0.00 0.00 55.06 54.72 3ktg s HIS 191 Cb 0.01 -1.20 0.41 0.00 1.11 0.00 0.00 32.58 32.92 3ktg s HIS 191 CO 0.04 0.62 0.83 1.47 -0.85 0.00 0.00 174.74 176.85 3ktg n LEU 192 N -0.88 0.00 -0.00 0.89 -0.00 -1.26 -1.00 117.00 114.75 3ktg n LEU 192 Ca -0.06 0.00 0.04 0.00 -0.00 0.00 0.00 56.01 55.99 3ktg n LEU 192 Cb 0.59 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.96 3ktg n LEU 192 CO 0.40 0.00 -0.05 -1.84 -0.00 0.00 0.00 177.39 175.90 3ktg n GLU 193 N -0.91 3.90 0.01 1.47 -0.00 -1.26 -4.48 120.64 119.37 3ktg n GLU 193 Ca 0.05 -0.00 0.13 0.00 -0.00 0.00 0.00 57.16 57.34 3ktg n GLU 193 Cb 0.02 -0.93 0.56 0.00 -0.00 0.00 0.00 31.44 31.10 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 -1.24 0.10 -2.74 -1.84 8.25 -0.17 -4.77 115.22 112.82 3ktg n HIS 194 Ca 0.01 0.03 -0.41 0.00 -0.26 0.00 0.00 57.72 57.09 3ktg n HIS 194 Cb 0.14 -0.55 -0.04 0.00 1.12 0.00 0.00 29.99 30.66 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 -3.01 3.75 0.53 4.41 2.46 -1.26 -4.92 115.29 117.25 3ktg s HIS 195 Ca 0.13 1.74 0.40 0.00 0.47 0.00 0.00 55.06 57.79 3ktg s HIS 195 Cb 0.17 -3.06 1.58 0.00 -0.13 0.00 0.00 32.58 31.14 3ktg s HIS 195 CO 0.50 0.13 1.72 1.12 -2.47 0.00 0.00 174.74 175.74 3ktg h HIS 196 N 6.05 0.08 0.00 3.88 2.07 -1.96 -2.65 115.15 122.61 3ktg h HIS 196 Ca -0.42 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.10 3ktg h HIS 196 Cb 1.21 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 31.17 3ktg h HIS 196 CO 0.66 -0.01 0.00 0.72 -3.07 0.00 0.00 177.93 176.23 3ktg n HIS 197 N -4.17 0.00 0.94 6.12 8.25 -1.26 -5.20 115.22 119.90 3ktg n HIS 197 Ca 0.32 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.90 3ktg n HIS 197 Cb 1.49 -0.37 0.09 0.00 1.12 0.00 0.00 29.99 32.32 3ktg n HIS 197 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70