#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ktg s PRO 4 N 0.00 0.35 0.42 9.51 0.04 -1.26 -4.72 135.00 139.35 3ktg s PRO 4 Ca 0.00 1.27 0.08 0.00 0.04 0.00 0.00 61.00 62.39 3ktg s PRO 4 Cb 0.00 -1.67 -0.00 0.00 0.04 0.00 0.00 34.50 32.87 3ktg s PRO 4 CO 0.00 -2.99 0.50 0.95 0.04 0.00 0.00 177.00 175.50 3ktg s THR 5 N -2.60 2.87 -0.41 1.26 -4.23 -1.26 -1.69 115.64 109.58 3ktg s THR 5 Ca 0.67 -1.12 0.08 0.00 -1.18 0.00 0.00 61.69 60.14 3ktg s THR 5 Cb -0.23 -2.99 0.26 0.00 1.34 0.00 0.00 72.50 70.88 3ktg s THR 5 CO 0.60 0.00 0.57 0.52 -0.54 0.00 0.00 174.62 175.78 3ktg n VAL 6 N -1.74 -0.29 -1.95 2.29 0.31 -0.31 -4.82 118.33 111.83 3ktg n VAL 6 Ca 0.06 -4.22 -0.42 0.00 -0.01 0.00 0.00 64.34 59.75 3ktg n VAL 6 Cb 0.60 -1.77 -0.03 0.00 -0.91 0.00 0.00 33.84 31.73 3ktg n VAL 6 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 3ktg s ILE 7 N -1.50 3.46 -0.33 2.52 -4.36 -1.26 -3.40 121.20 116.33 3ktg s ILE 7 Ca 0.36 0.58 0.04 0.00 -0.26 0.00 0.00 60.65 61.37 3ktg s ILE 7 Cb 0.19 -3.37 0.10 0.00 1.25 0.00 0.00 42.46 40.63 3ktg s ILE 7 CO -0.10 -0.05 0.04 0.00 0.24 0.00 0.00 174.94 175.07 3ktg s ALA 16 N 4.03 2.87 0.44 2.27 0.00 -1.26 -5.21 121.76 124.90 3ktg s ALA 16 Ca 0.76 -2.48 0.05 0.00 0.00 0.00 0.00 51.96 50.29 3ktg s ALA 16 Cb -0.35 -1.94 -0.05 0.00 0.00 0.00 0.00 23.12 20.77 3ktg s ALA 16 CO 0.32 -1.65 0.04 0.71 0.00 0.00 0.00 175.76 175.17 3ktg s TYR 17 N 0.92 2.32 -0.13 0.00 2.02 -1.22 -5.12 117.35 116.13 3ktg s TYR 17 Ca 0.09 -0.75 -0.06 0.00 -0.37 0.00 0.00 57.07 55.99 3ktg s TYR 17 Cb -0.19 -1.75 -0.04 0.00 -0.40 0.00 0.00 41.96 39.58 3ktg s TYR 17 CO -0.08 0.33 0.08 0.34 -1.57 0.00 0.00 175.55 174.65 3ktg s ASP 18 N -3.79 5.82 0.25 2.29 3.68 -1.26 -1.16 116.67 122.50 3ktg s ASP 18 Ca 0.27 0.25 -0.11 0.00 2.13 0.00 0.00 52.55 55.10 3ktg s ASP 18 Cb 0.07 -1.86 0.37 0.00 -1.45 0.00 0.00 42.92 40.04 3ktg s ASP 18 CO 0.14 0.32 1.58 -0.29 0.13 0.00 0.00 175.17 177.06 3ktg h ILE 19 N 4.31 0.12 -0.45 4.11 6.09 -1.61 1.15 117.51 131.23 3ktg h ILE 19 Ca -0.48 0.00 -0.06 0.00 -1.37 0.00 0.00 64.86 62.95 3ktg h ILE 19 Cb 1.20 0.12 -0.02 0.00 0.47 0.00 0.00 36.82 38.58 3ktg h ILE 19 CO 0.61 0.00 0.04 1.88 -3.07 0.00 0.00 178.15 177.61 3ktg h TYR 20 N -0.01 0.73 -0.51 2.19 0.05 -1.95 -1.52 116.97 115.96 3ktg h TYR 20 Ca 0.41 -0.08 -0.10 0.00 0.05 0.00 0.00 58.73 59.01 3ktg h TYR 20 Cb 0.63 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 38.14 3ktg h TYR 20 CO -0.69 0.67 -0.06 0.77 -1.05 0.00 0.00 178.16 177.80 3ktg h SER 21 N 0.67 0.90 -0.49 3.88 0.02 0.54 -1.08 113.55 117.98 3ktg h SER 21 Ca 0.14 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 3ktg h SER 21 Cb 0.36 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 3ktg h SER 21 CO 0.01 0.99 0.28 -0.09 -1.14 0.00 0.00 176.83 176.88 3ktg h ARG 22 N 0.83 0.68 0.00 3.45 9.65 0.15 -2.04 114.38 127.10 3ktg h ARG 22 Ca 0.14 -0.07 -0.08 0.00 -1.10 0.00 0.00 59.98 58.86 3ktg h ARG 22 Cb 0.58 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.01 3ktg h ARG 22 CO 0.03 0.52 -0.40 -0.07 2.80 0.00 0.00 179.97 182.86 3ktg h LEU 23 N 0.66 0.00 -1.68 3.80 4.07 -1.07 -2.01 115.31 119.08 3ktg h LEU 23 Ca 0.18 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.10 3ktg h LEU 23 Cb 0.03 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 3ktg h LEU 23 CO -0.03 0.40 -0.18 0.25 -1.08 0.00 0.00 178.44 177.80 3ktg h LEU 24 N 0.00 0.00 -1.26 1.67 5.85 -0.49 -0.75 115.31 120.33 3ktg h LEU 24 Ca -0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3ktg h LEU 24 Cb 0.76 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 3ktg h LEU 24 CO 0.05 0.18 0.27 0.50 -0.34 0.00 0.00 178.44 179.10 3ktg h LYS 25 N 0.00 0.78 -0.88 1.25 3.64 -0.94 -0.60 116.57 119.82 3ktg h LYS 25 Ca -0.00 -0.09 -0.14 0.00 -1.27 0.00 0.00 60.65 59.15 3ktg h LYS 25 Cb 0.34 -0.15 -0.08 0.00 -0.41 0.00 0.00 32.23 31.93 3ktg h LYS 25 CO 0.02 0.60 0.17 -0.25 -2.27 0.00 0.00 179.45 177.73 3ktg n ASP 26 N -4.37 3.51 -3.67 4.20 10.43 -0.39 -4.88 116.55 121.39 3ktg n ASP 26 Ca 0.05 -2.69 -0.24 0.00 2.57 0.00 0.00 54.79 54.48 3ktg n ASP 26 Cb 0.13 -0.64 0.06 0.00 1.84 0.00 0.00 41.12 42.50 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 -0.02 -6.69 -4.83 -1.24 1.74 -0.23 -4.88 116.66 100.52 3ktg n ARG 27 Ca 0.24 0.74 -0.33 0.00 -0.77 0.00 0.00 57.85 57.74 3ktg n ARG 27 Cb 0.95 -5.69 -0.16 0.00 -1.02 0.00 0.00 32.46 26.55 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 -3.37 2.36 -0.16 0.55 1.01 -0.57 -1.58 121.20 119.44 3ktg s ILE 28 Ca 0.42 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 60.19 3ktg s ILE 28 Cb -0.20 -1.95 0.01 0.00 0.01 0.00 0.00 42.46 40.33 3ktg s ILE 28 CO 0.77 0.54 -0.20 -0.63 0.00 0.00 0.00 174.94 175.42 3ktg s ILE 29 N 0.59 2.20 -0.35 2.92 1.01 0.06 -3.19 121.20 124.45 3ktg s ILE 29 Ca -0.11 -0.91 -0.14 0.00 0.00 0.00 0.00 60.65 59.49 3ktg s ILE 29 Cb -0.16 -1.91 -0.01 0.00 0.01 0.00 0.00 42.46 40.39 3ktg s ILE 29 CO 0.03 0.54 0.28 -0.04 0.00 0.00 0.00 174.94 175.74 3ktg s MET 30 N 1.03 3.44 -0.52 2.79 -1.94 -1.26 -1.06 119.30 121.78 3ktg s MET 30 Ca -0.02 -0.65 -0.14 0.00 -1.71 0.00 0.00 55.69 53.18 3ktg s MET 30 Cb -0.14 -3.83 0.13 0.00 2.01 0.00 0.00 34.83 32.99 3ktg s MET 30 CO -0.06 -0.50 0.46 -1.17 -0.01 0.00 0.00 175.02 173.74 3ktg s LEU 31 N 1.79 6.06 -0.29 -0.03 2.96 0.91 -4.93 118.68 125.14 3ktg s LEU 31 Ca 0.07 -1.84 0.12 0.00 -0.22 0.00 0.00 54.13 52.27 3ktg s LEU 31 Cb -0.17 -2.15 0.47 0.00 0.50 0.00 0.00 46.19 44.83 3ktg s LEU 31 CO 0.11 -0.81 1.16 0.61 -1.32 0.00 0.00 176.35 176.09 3ktg n GLY 32 N 5.14 4.87 3.78 7.98 0.00 -1.25 -0.83 105.19 124.88 3ktg n GLY 32 Ca -0.12 -2.15 -0.09 0.00 0.00 0.00 0.00 46.02 43.66 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 -3.65 0.00 0.70 1.61 1.04 -1.20 -4.84 113.70 107.37 3ktg s SER 33 Ca 0.43 -1.02 -0.16 0.00 0.48 0.00 0.00 55.95 55.68 3ktg s SER 33 Cb 0.38 0.79 0.02 0.00 0.10 0.00 0.00 66.02 67.32 3ktg s SER 33 CO 0.00 -1.54 1.24 0.00 0.98 0.00 0.00 173.24 173.92 3ktg s ALA 34 N -2.90 2.19 -0.38 5.32 0.00 -1.26 -4.49 121.76 120.23 3ktg s ALA 34 Ca 0.16 1.00 -0.18 0.00 0.00 0.00 0.00 51.96 52.94 3ktg s ALA 34 Cb -0.05 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.58 3ktg s ALA 34 CO 0.11 -1.80 0.51 0.42 0.00 0.00 0.00 175.76 175.00 3ktg s ILE 35 N -1.78 5.01 0.37 0.00 1.01 0.35 -4.85 121.20 121.30 3ktg s ILE 35 Ca 0.77 0.12 0.03 0.00 0.00 0.00 0.00 60.65 61.56 3ktg s ILE 35 Cb -0.32 -4.02 -0.01 0.00 0.01 0.00 0.00 42.46 38.12 3ktg s ILE 35 CO 0.43 -0.33 0.09 -0.90 0.00 0.00 0.00 174.94 174.24 3ktg n ASP 36 N 5.78 1.69 0.04 3.58 5.68 -1.26 -0.25 116.55 131.82 3ktg n ASP 36 Ca -0.05 -2.87 0.07 0.00 -0.50 0.00 0.00 54.79 51.45 3ktg n ASP 36 Cb 0.48 0.74 0.51 0.00 -1.14 0.00 0.00 41.12 41.71 3ktg n ASP 36 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3ktg h ASP 37 N 1.30 0.31 0.23 -1.12 3.45 -1.96 -0.69 116.42 117.96 3ktg h ASP 37 Ca -0.29 -0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.15 3ktg h ASP 37 Cb 1.05 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 39.75 3ktg h ASP 37 CO 0.47 0.22 -0.11 0.78 -1.57 0.00 0.00 179.24 179.03 3ktg h ASN 38 N 0.37 -0.27 -0.89 6.45 2.35 -1.98 -1.49 115.58 120.12 3ktg h ASN 38 Ca 0.15 -0.24 0.09 0.00 -0.55 0.00 0.00 56.30 55.75 3ktg h ASN 38 Cb 0.14 0.07 -0.06 0.00 0.05 0.00 0.00 38.32 38.52 3ktg h ASN 38 CO -0.03 0.13 0.58 0.58 -1.65 0.00 0.00 177.43 177.03 3ktg h VAL 39 N -0.71 0.99 -0.11 2.81 2.07 -1.80 -1.73 116.25 117.76 3ktg h VAL 39 Ca -0.03 -0.31 -0.18 0.00 0.82 0.00 0.00 66.70 67.00 3ktg h VAL 39 Cb 0.49 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 3ktg h VAL 39 CO 0.05 0.17 -0.67 0.00 0.02 0.00 0.00 177.57 177.13 3ktg h ALA 40 N 1.55 0.63 -0.16 1.67 0.00 -1.10 -1.88 119.26 119.97 3ktg h ALA 40 Ca 0.41 -0.58 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 3ktg h ALA 40 Cb 0.36 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3ktg h ALA 40 CO -0.17 0.74 -0.52 -0.97 0.00 0.00 0.00 179.25 178.33 3ktg h ASN 41 N 0.32 0.50 -0.09 0.00 -0.00 -0.63 -0.96 115.58 114.72 3ktg h ASN 41 Ca -0.02 -0.26 -0.05 0.00 -0.00 0.00 0.00 56.30 55.97 3ktg h ASN 41 Cb 1.24 -0.14 -0.00 0.00 -0.00 0.00 0.00 38.32 39.41 3ktg h ASN 41 CO 0.12 0.93 -0.13 -1.28 -0.00 0.00 0.00 177.43 177.07 3ktg h SER 42 N 0.36 0.28 -0.46 1.15 0.87 -1.29 -1.98 113.55 112.47 3ktg h SER 42 Ca 0.01 -0.53 -0.11 0.00 -1.23 0.00 0.00 61.79 59.93 3ktg h SER 42 Cb 1.03 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.90 3ktg h SER 42 CO 0.09 0.75 -0.14 0.40 -0.53 0.00 0.00 176.83 177.41 3ktg h ILE 43 N -0.19 1.27 -0.59 2.23 2.04 -1.34 -0.30 117.51 120.62 3ktg h ILE 43 Ca 0.01 -1.27 -0.09 0.00 1.00 0.00 0.00 64.86 64.51 3ktg h ILE 43 Cb 0.69 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 3ktg h ILE 43 CO 0.03 0.44 0.02 0.58 0.00 0.00 0.00 178.15 179.23 3ktg h VAL 44 N 0.84 1.26 -0.22 1.67 2.07 -1.23 -1.06 116.25 119.59 3ktg h VAL 44 Ca 0.13 -1.09 -0.11 0.00 0.82 0.00 0.00 66.70 66.44 3ktg h VAL 44 Cb 0.68 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3ktg h VAL 44 CO 0.05 0.40 -0.35 0.28 0.02 0.00 0.00 177.57 177.96 3ktg h SER 45 N 0.93 0.49 -0.34 0.57 0.02 -1.11 -1.10 113.55 113.01 3ktg h SER 45 Ca 0.17 -0.20 -0.13 0.00 -0.84 0.00 0.00 61.79 60.79 3ktg h SER 45 Cb 0.51 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 3ktg h SER 45 CO 0.02 0.81 -0.28 1.56 -1.14 0.00 0.00 176.83 177.80 3ktg h GLN 46 N 0.40 0.86 -0.31 3.45 4.20 -0.68 -1.46 115.11 121.56 3ktg h GLN 46 Ca 0.04 -0.39 -0.04 0.00 0.06 0.00 0.00 58.65 58.33 3ktg h GLN 46 Cb 0.81 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.56 3ktg h GLN 46 CO 0.07 1.03 0.04 -0.07 -0.67 0.00 0.00 178.83 179.22 3ktg h LEU 47 N 0.73 0.51 0.09 1.46 3.38 -0.92 -0.67 115.31 119.89 3ktg h LEU 47 Ca 0.09 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 3ktg h LEU 47 Cb 0.83 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3ktg h LEU 47 CO 0.07 0.66 -0.04 -0.07 0.09 0.00 0.00 178.44 179.15 3ktg h LEU 48 N 0.35 -0.10 0.05 1.67 4.07 -1.15 -0.59 115.31 119.61 3ktg h LEU 48 Ca 0.09 -0.02 0.02 0.00 0.08 0.00 0.00 57.88 58.06 3ktg h LEU 48 Cb 0.37 0.03 -0.05 0.00 1.08 0.00 0.00 40.66 42.09 3ktg h LEU 48 CO 0.01 -0.05 -0.47 0.15 -1.08 0.00 0.00 178.44 177.00 3ktg h PHE 49 N -0.15 -1.33 -0.38 1.13 3.57 -1.16 0.17 116.94 118.80 3ktg h PHE 49 Ca -0.01 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.60 3ktg h PHE 49 Cb 0.12 0.58 -0.07 0.00 2.79 0.00 0.00 35.95 39.36 3ktg h PHE 49 CO -0.06 -0.54 -0.07 -0.07 -2.23 0.00 0.00 178.31 175.33 3ktg h LEU 50 N -0.65 -0.31 -1.42 0.59 3.38 -1.02 0.35 115.31 116.23 3ktg h LEU 50 Ca 0.02 0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.17 3ktg h LEU 50 Cb 0.70 0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 3ktg h LEU 50 CO -0.30 -0.11 0.46 0.00 0.09 0.00 0.00 178.44 178.58 3ktg h ALA 51 N 1.37 1.75 -0.08 1.53 0.00 -0.56 -0.02 119.26 123.24 3ktg h ALA 51 Ca 0.18 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 3ktg h ALA 51 Cb 0.27 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3ktg h ALA 51 CO -0.37 0.14 -0.75 0.00 0.00 0.00 0.00 179.25 178.27 3ktg h ALA 52 N 1.63 0.55 0.07 0.00 0.00 0.11 -2.38 119.26 119.23 3ktg h ALA 52 Ca 0.30 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3ktg h ALA 52 Cb 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3ktg h ALA 52 CO -0.10 0.76 -0.03 0.93 0.00 0.00 0.00 179.25 180.80 3ktg h GLU 53 N 0.30 -0.09 -1.12 0.00 4.39 0.14 -3.42 114.58 114.78 3ktg h GLU 53 Ca -0.04 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 3ktg h GLU 53 Cb 1.33 0.02 -0.22 0.00 -0.10 0.00 0.00 28.75 29.78 3ktg h GLU 53 CO 0.13 -0.00 -0.41 0.34 -1.16 0.00 0.00 179.01 177.90 3ktg s ASP 54 N -5.17 -1.29 0.27 1.42 -1.08 -0.36 -5.02 116.67 105.44 3ktg s ASP 54 Ca -0.14 -0.02 0.20 0.00 -0.52 0.00 0.00 52.55 52.07 3ktg s ASP 54 Cb 0.05 1.87 1.01 0.00 -1.46 0.00 0.00 42.92 44.40 3ktg s ASP 54 CO 0.65 -0.29 1.61 -0.81 0.52 0.00 0.00 175.17 176.85 3ktg n PRO 55 N 5.29 0.14 0.02 4.34 -0.04 -0.90 -2.90 135.00 140.96 3ktg n PRO 55 Ca 0.05 0.57 -0.22 0.00 -0.04 0.00 0.00 63.50 63.86 3ktg n PRO 55 Cb 0.53 -1.89 -0.14 0.00 -0.04 0.00 0.00 33.50 31.97 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 0.29 -7.12 0.54 4.39 -1.94 -2.97 114.58 107.76 3ktg h GLU 56 Ca 0.00 -0.49 -0.54 0.00 0.34 0.00 0.00 59.36 58.66 3ktg h GLU 56 Cb 0.09 0.18 0.14 0.00 -0.10 0.00 0.00 28.75 29.07 3ktg h GLU 56 CO 0.00 1.24 0.48 0.15 -1.16 0.00 0.00 179.01 179.71 3ktg s LYS 57 N -2.54 2.61 0.85 2.33 -0.14 -1.14 -4.79 119.74 116.92 3ktg s LYS 57 Ca -0.20 1.92 -0.13 0.00 -1.36 0.00 0.00 55.97 56.20 3ktg s LYS 57 Cb 0.06 -1.87 0.11 0.00 -1.68 0.00 0.00 37.83 34.44 3ktg s LYS 57 CO 0.78 -1.51 1.18 -1.21 -0.76 0.00 0.00 175.35 173.84 3ktg s GLU 58 N -3.47 1.61 -0.01 1.68 2.02 -1.26 -4.39 118.70 114.88 3ktg s GLU 58 Ca 0.79 0.10 0.01 0.00 0.02 0.00 0.00 54.97 55.88 3ktg s GLU 58 Cb -0.33 -1.91 0.01 0.00 0.10 0.00 0.00 34.13 31.99 3ktg s GLU 58 CO 0.38 -1.84 -0.01 0.42 0.02 0.00 0.00 175.26 174.23 3ktg s ILE 59 N -3.54 0.17 -0.18 -1.63 1.01 -0.37 -4.90 121.20 111.76 3ktg s ILE 59 Ca 0.64 -0.03 -0.05 0.00 0.00 0.00 0.00 60.65 61.20 3ktg s ILE 59 Cb -0.11 -0.18 -0.03 0.00 0.01 0.00 0.00 42.46 42.14 3ktg s ILE 59 CO 0.50 0.08 0.01 -0.44 0.00 0.00 0.00 174.94 175.09 3ktg s SER 60 N 0.28 5.09 -0.37 3.58 0.01 -0.62 0.02 113.70 121.69 3ktg s SER 60 Ca -0.02 -0.08 -0.01 0.00 1.31 0.00 0.00 55.95 57.15 3ktg s SER 60 Cb -0.05 -1.86 0.10 0.00 0.21 0.00 0.00 66.02 64.43 3ktg s SER 60 CO -0.01 0.14 0.13 -0.22 0.41 0.00 0.00 173.24 173.69 3ktg s LEU 61 N 0.56 4.94 -0.11 2.44 2.96 0.13 -0.76 118.68 128.83 3ktg s LEU 61 Ca -0.00 -1.97 -0.30 0.00 -0.22 0.00 0.00 54.13 51.64 3ktg s LEU 61 Cb -0.14 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 3ktg s LEU 61 CO 0.02 -0.46 1.15 -0.31 -1.32 0.00 0.00 176.35 175.43 3ktg s TYR 62 N 1.08 3.21 -0.16 5.38 1.51 -0.22 -1.61 117.35 126.55 3ktg s TYR 62 Ca 0.07 1.29 -0.00 0.00 -1.01 0.00 0.00 57.07 57.42 3ktg s TYR 62 Cb -0.21 -3.37 -0.00 0.00 -0.11 0.00 0.00 41.96 38.26 3ktg s TYR 62 CO -0.05 -1.05 -0.14 0.42 -1.11 0.00 0.00 175.55 173.61 3ktg s ILE 63 N 2.54 2.76 -0.41 2.71 1.01 0.77 -0.07 121.20 130.52 3ktg s ILE 63 Ca 0.53 -0.74 0.05 0.00 0.00 0.00 0.00 60.65 60.49 3ktg s ILE 63 Cb -0.21 -2.17 0.17 0.00 0.01 0.00 0.00 42.46 40.25 3ktg s ILE 63 CO 0.18 0.51 0.51 0.21 0.00 0.00 0.00 174.94 176.34 3ktg s ASN 64 N 0.82 -0.08 0.03 3.58 2.47 -0.01 -0.98 114.94 120.78 3ktg s ASN 64 Ca -0.05 -1.50 -0.16 0.00 0.42 0.00 0.00 52.86 51.57 3ktg s ASN 64 Cb -0.15 1.13 0.03 0.00 -1.45 0.00 0.00 41.25 40.80 3ktg s ASN 64 CO -0.00 -0.19 0.36 -0.94 -3.72 0.00 0.00 177.10 172.61 3ktg s SER 65 N 1.34 -0.22 0.00 -4.21 1.04 0.00 -3.21 113.70 108.45 3ktg s SER 65 Ca 0.20 -0.02 0.29 0.00 0.48 0.00 0.00 55.95 56.90 3ktg s SER 65 Cb -0.08 0.38 1.44 0.00 0.10 0.00 0.00 66.02 67.86 3ktg s SER 65 CO -0.06 -0.60 2.01 -0.81 0.98 0.00 0.00 173.24 174.76 3ktg n PRO 66 N 0.72 0.35 0.00 4.02 -0.04 -1.26 -1.99 135.00 136.80 3ktg n PRO 66 Ca -0.19 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 3ktg n PRO 66 Cb 0.59 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 3ktg n PRO 66 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ktg n GLY 67 N 1.25 -0.52 0.00 0.55 0.00 -1.21 -4.18 105.19 101.08 3ktg n GLY 67 Ca 0.13 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.55 3.76 -0.02 0.00 -1.26 0.13 105.19 107.25 3ktg n GLY 68 Ca 0.00 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 3ktg n GLY 68 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ktg s SER 69 N -4.00 6.55 0.07 1.61 0.15 0.65 -4.74 113.70 114.00 3ktg s SER 69 Ca 0.00 2.81 -0.18 0.00 0.70 0.00 0.00 55.95 59.28 3ktg s SER 69 Cb 0.00 -2.64 -0.11 0.00 -1.71 0.00 0.00 66.02 61.56 3ktg s SER 69 CO 0.00 -0.75 1.41 0.40 1.20 0.00 0.00 173.24 175.50 3ktg h ILE 70 N 3.30 1.31 -0.02 6.45 2.04 -1.98 -0.80 117.51 127.82 3ktg h ILE 70 Ca -0.48 -1.28 -0.07 0.00 1.00 0.00 0.00 64.86 64.04 3ktg h ILE 70 Cb 1.22 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.95 3ktg h ILE 70 CO 0.73 0.39 -0.32 0.71 0.00 0.00 0.00 178.15 179.67 3ktg h THR 71 N 0.21 1.24 -0.22 -0.27 1.35 -1.98 -0.22 112.91 113.02 3ktg h THR 71 Ca 0.04 -1.12 -0.12 0.00 -0.55 0.00 0.00 66.41 64.67 3ktg h THR 71 Cb 0.68 1.58 -0.00 0.00 -1.73 0.00 0.00 68.15 68.68 3ktg h THR 71 CO 0.04 0.32 -0.33 0.00 -0.25 0.00 0.00 175.52 175.30 3ktg h ALA 72 N 1.66 0.33 -0.36 6.62 0.00 -1.87 -2.51 119.26 123.13 3ktg h ALA 72 Ca 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 3ktg h ALA 72 Cb 0.58 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3ktg h ALA 72 CO 0.04 0.38 0.10 0.78 0.00 0.00 0.00 179.25 180.55 3ktg h GLY 73 N 0.30 0.61 1.91 0.00 0.00 -0.74 -2.73 103.07 102.43 3ktg h GLY 73 Ca 0.02 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 3ktg h GLY 73 CO 0.08 0.35 -0.08 -0.33 0.00 0.00 0.00 176.54 176.55 3ktg h MET 74 N 0.43 0.11 -0.64 4.80 2.86 -1.06 0.39 114.93 121.81 3ktg h MET 74 Ca 0.11 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.69 3ktg h MET 74 Cb 0.28 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 3ktg h MET 74 CO -0.00 0.20 0.21 0.00 1.06 0.00 0.00 176.91 178.38 3ktg h ALA 75 N 1.81 1.15 -0.10 6.32 0.00 -1.15 0.27 119.26 127.56 3ktg h ALA 75 Ca 0.02 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 3ktg h ALA 75 Cb 0.22 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3ktg h ALA 75 CO 0.01 0.59 -0.31 0.82 0.00 0.00 0.00 179.25 180.36 3ktg h ILE 76 N 0.94 1.39 0.38 0.00 2.04 -0.76 -2.78 117.51 118.72 3ktg h ILE 76 Ca 0.21 -1.64 -0.01 0.00 1.00 0.00 0.00 64.86 64.42 3ktg h ILE 76 Cb 0.26 2.18 -0.03 0.00 -0.74 0.00 0.00 36.82 38.49 3ktg h ILE 76 CO -0.01 0.48 -0.47 0.22 0.00 0.00 0.00 178.15 178.37 3ktg h TYR 77 N -0.05 -1.33 -0.84 1.37 3.20 0.08 -1.38 116.97 118.03 3ktg h TYR 77 Ca -0.01 0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.01 3ktg h TYR 77 Cb 0.93 0.53 -0.06 0.00 1.54 0.00 0.00 36.73 39.67 3ktg h TYR 77 CO 0.11 -0.61 0.55 -0.44 -1.64 0.00 0.00 178.16 176.13 3ktg h ASP 78 N -0.88 0.58 0.27 -2.11 3.45 -0.57 -0.89 116.42 116.26 3ktg h ASP 78 Ca -0.05 0.03 -0.13 0.00 0.43 0.00 0.00 57.03 57.32 3ktg h ASP 78 Cb 0.78 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.46 3ktg h ASP 78 CO -0.11 0.30 -0.50 0.74 -1.57 0.00 0.00 179.24 178.11 3ktg h THR 79 N 0.61 1.34 -0.39 0.35 2.02 -1.16 -1.11 112.91 114.57 3ktg h THR 79 Ca 0.41 -1.73 -0.02 0.00 0.77 0.00 0.00 66.41 65.84 3ktg h THR 79 Cb 0.72 1.82 -0.02 0.00 -1.74 0.00 0.00 68.15 68.93 3ktg h THR 79 CO -0.17 0.52 0.16 0.24 0.37 0.00 0.00 175.52 176.64 3ktg h MET 80 N 0.21 0.58 -0.05 6.66 2.86 -0.04 -2.52 114.93 122.63 3ktg h MET 80 Ca 0.01 -0.10 -0.18 0.00 -2.06 0.00 0.00 59.70 57.36 3ktg h MET 80 Cb 0.95 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.51 3ktg h MET 80 CO 0.08 0.55 -0.75 1.96 1.06 0.00 0.00 176.91 179.80 3ktg h GLN 81 N 0.49 0.34 -0.35 1.72 1.08 -1.46 -3.31 115.11 113.60 3ktg h GLN 81 Ca 0.13 -0.29 -0.07 0.00 -1.45 0.00 0.00 58.65 56.98 3ktg h GLN 81 Cb 0.18 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 3ktg h GLN 81 CO -0.01 0.94 -0.06 0.35 -0.95 0.00 0.00 178.83 179.11 3ktg h PHE 82 N 0.22 0.62 -3.81 2.96 3.57 -1.03 -3.44 116.94 116.03 3ktg h PHE 82 Ca -0.03 -0.08 -0.48 0.00 3.53 0.00 0.00 57.97 60.91 3ktg h PHE 82 Cb 1.33 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 3ktg h PHE 82 CO 0.04 0.63 0.20 0.96 -2.23 0.00 0.00 178.31 177.91 3ktg s ILE 83 N -4.87 4.51 0.13 1.41 -4.36 -0.96 -4.98 121.20 112.08 3ktg s ILE 83 Ca -0.08 1.29 -0.20 0.00 -0.26 0.00 0.00 60.65 61.40 3ktg s ILE 83 Cb 0.15 -3.71 -0.03 0.00 1.25 0.00 0.00 42.46 40.11 3ktg s ILE 83 CO 0.78 -0.10 1.71 0.50 0.24 0.00 0.00 174.94 178.07 3ktg h LYS 84 N 2.51 0.04 -6.60 0.37 3.64 -1.85 -3.44 116.57 111.24 3ktg h LYS 84 Ca -0.48 -0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.32 3ktg h LYS 84 Cb 1.18 -0.01 0.17 0.00 -0.41 0.00 0.00 32.23 33.17 3ktg h LYS 84 CO 0.64 0.02 -0.31 -2.30 -2.27 0.00 0.00 179.45 175.23 3ktg n PRO 85 N -5.16 0.51 -3.25 1.90 -0.02 -1.12 -4.95 135.00 122.91 3ktg n PRO 85 Ca -0.02 0.21 -0.39 0.00 -2.02 0.00 0.00 63.50 61.28 3ktg n PRO 85 Cb 0.12 -1.81 -0.06 0.00 -0.02 0.00 0.00 33.50 31.73 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 -2.37 4.27 -0.32 -0.52 1.02 -1.26 -4.95 119.74 115.61 3ktg s LYS 86 Ca 0.69 0.68 -0.09 0.00 0.02 0.00 0.00 55.97 57.27 3ktg s LYS 86 Cb -0.41 -3.33 0.00 0.00 -0.52 0.00 0.00 37.83 33.57 3ktg s LYS 86 CO 0.54 0.41 0.15 0.08 -0.92 0.00 0.00 175.35 175.61 3ktg s VAL 87 N -0.29 4.48 0.03 3.17 1.01 -1.26 -1.24 120.40 126.29 3ktg s VAL 87 Ca 0.30 -0.56 -0.15 0.00 0.00 0.00 0.00 61.98 61.56 3ktg s VAL 87 Cb -0.18 -3.34 -0.06 0.00 0.00 0.00 0.00 36.38 32.80 3ktg s VAL 87 CO 0.16 0.00 0.44 -0.55 0.00 0.00 0.00 175.10 175.16 3ktg s SER 88 N 1.58 6.84 -0.08 3.32 0.15 0.10 -0.35 113.70 125.26 3ktg s SER 88 Ca 0.04 1.01 0.04 0.00 0.70 0.00 0.00 55.95 57.74 3ktg s SER 88 Cb -0.18 -2.27 -0.01 0.00 -1.71 0.00 0.00 66.02 61.86 3ktg s SER 88 CO 0.06 0.29 -0.20 0.42 1.20 0.00 0.00 173.24 175.01 3ktg s THR 89 N -1.13 2.46 -0.22 6.45 -4.23 -0.81 0.17 115.64 118.32 3ktg s THR 89 Ca 0.26 -0.91 0.02 0.00 -1.18 0.00 0.00 61.69 59.88 3ktg s THR 89 Cb -0.17 -1.95 0.04 0.00 1.34 0.00 0.00 72.50 71.77 3ktg s THR 89 CO 0.15 0.56 -0.13 -0.63 -0.54 0.00 0.00 174.62 174.03 3ktg s ILE 90 N -0.08 1.98 -0.18 2.99 1.09 -0.63 0.12 121.20 126.49 3ktg s ILE 90 Ca -0.05 -1.28 -0.27 0.00 -1.10 0.00 0.00 60.65 57.95 3ktg s ILE 90 Cb -0.14 -2.01 -0.01 0.00 -1.06 0.00 0.00 42.46 39.25 3ktg s ILE 90 CO 0.04 0.17 0.94 0.00 -0.10 0.00 0.00 174.94 175.99 3ktg s ILE 92 N 2.53 0.95 0.00 0.00 1.10 -0.15 -2.22 121.20 123.41 3ktg s ILE 92 Ca 0.42 -0.30 0.00 0.00 -0.51 0.00 0.00 60.65 60.26 3ktg s ILE 92 Cb -0.16 -0.93 0.00 0.00 0.15 0.00 0.00 42.46 41.51 3ktg s ILE 92 CO 0.11 0.33 0.00 0.61 -2.11 0.00 0.00 174.94 173.88 3ktg n GLY 93 N 4.41 2.04 2.89 1.50 0.00 -1.26 -4.10 105.19 110.67 3ktg n GLY 93 Ca -0.18 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 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 0.06 -0.36 1.61 -2.45 -1.26 -0.67 119.30 116.23 3ktg s MET 94 Ca 0.00 0.24 0.04 0.00 -1.25 0.00 0.00 55.69 54.72 3ktg s MET 94 Cb 0.00 -0.13 0.10 0.00 1.25 0.00 0.00 34.83 36.05 3ktg s MET 94 CO 0.00 -0.12 0.07 0.00 1.05 0.00 0.00 175.02 176.02 3ktg s ALA 95 N 0.81 2.89 0.32 4.11 0.00 -0.53 -0.81 121.76 128.55 3ktg s ALA 95 Ca -0.06 -2.58 0.10 0.00 0.00 0.00 0.00 51.96 49.41 3ktg s ALA 95 Cb -0.09 -1.98 -0.05 0.00 0.00 0.00 0.00 23.12 21.00 3ktg s ALA 95 CO -0.03 -1.72 -0.06 0.00 0.00 0.00 0.00 175.76 173.95 3ktg s ALA 96 N 0.81 3.06 0.00 0.00 0.00 -0.84 -1.79 121.76 122.99 3ktg s ALA 96 Ca 0.12 -1.92 0.00 0.00 0.00 0.00 0.00 51.96 50.15 3ktg s ALA 96 Cb -0.20 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.57 3ktg s ALA 96 CO -0.08 0.15 0.00 0.45 0.00 0.00 0.00 175.76 176.28 3ktg n SER 97 N -0.84 0.00 0.32 0.00 2.88 -0.74 0.95 113.62 116.18 3ktg n SER 97 Ca -0.05 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.66 3ktg n SER 97 Cb 0.62 0.00 0.92 0.00 -0.75 0.00 0.00 64.21 64.99 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 -0.31 -1.46 0.00 -1.85 -0.62 114.93 110.69 3ktg h MET 98 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 59.70 59.65 3ktg h MET 98 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 31.59 3ktg h MET 98 CO 0.00 0.00 -0.02 0.78 0.00 0.00 0.00 176.91 177.67 3ktg h GLY 99 N 0.00 0.60 1.09 8.32 0.00 0.30 -0.23 103.07 113.15 3ktg h GLY 99 Ca 0.00 -0.46 -0.11 0.00 0.00 0.00 0.00 47.33 46.76 3ktg h GLY 99 CO 0.00 0.42 -0.10 0.00 0.00 0.00 0.00 176.54 176.86 3ktg h ALA 100 N 0.83 0.75 -0.29 3.60 0.00 -1.02 -0.98 119.26 122.15 3ktg h ALA 100 Ca 0.09 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.68 3ktg h ALA 100 Cb 0.47 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3ktg h ALA 100 CO 0.02 0.67 0.06 0.35 0.00 0.00 0.00 179.25 180.35 3ktg h PHE 101 N 0.92 0.11 -0.61 0.00 3.57 -1.24 -0.83 116.94 118.85 3ktg h PHE 101 Ca 0.14 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 3ktg h PHE 101 Cb 0.68 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 3ktg h PHE 101 CO 0.05 0.03 0.13 -0.07 -2.23 0.00 0.00 178.31 176.21 3ktg h LEU 102 N 0.17 0.91 -0.34 0.59 3.38 -0.83 -2.06 115.31 117.13 3ktg h LEU 102 Ca 0.13 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.93 3ktg h LEU 102 Cb 0.13 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3ktg h LEU 102 CO -0.17 0.90 0.20 0.25 0.09 0.00 0.00 178.44 179.70 3ktg h LEU 103 N 0.92 0.31 -0.75 1.67 5.85 -0.49 -1.03 115.31 121.79 3ktg h LEU 103 Ca 0.19 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.92 3ktg h LEU 103 Cb 0.36 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.33 3ktg h LEU 103 CO 0.00 0.23 0.00 0.00 -0.34 0.00 0.00 178.44 178.33 3ktg n ALA 104 N -2.23 1.64 1.26 1.25 0.00 -0.38 -2.33 120.51 119.71 3ktg n ALA 104 Ca 0.00 0.09 0.14 0.00 0.00 0.00 0.00 53.44 53.67 3ktg n ALA 104 Cb 0.06 -1.39 0.61 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.78 2.67 -0.76 0.00 0.00 -0.40 -4.89 120.51 115.36 3ktg n ALA 105 Ca 0.02 -0.20 -0.30 0.00 0.00 0.00 0.00 53.44 52.96 3ktg n ALA 105 Cb 0.22 -1.39 0.18 0.00 0.00 0.00 0.00 19.45 18.47 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 -2.70 1.65 0.14 0.00 0.00 -0.99 -4.86 107.32 100.56 3ktg s GLY 106 Ca 0.23 0.33 -0.35 0.00 0.00 0.00 0.00 44.72 44.93 3ktg s GLY 106 CO 0.51 0.82 1.49 -2.21 0.00 0.00 0.00 173.10 173.72 3ktg n GLU 107 N -4.30 1.81 -1.70 2.90 4.07 0.52 -4.83 120.64 119.11 3ktg n GLU 107 Ca 0.09 0.65 -0.44 0.00 -0.06 0.00 0.00 57.16 57.40 3ktg n GLU 107 Cb 0.53 -2.38 -0.03 0.00 -0.06 0.00 0.00 31.44 29.51 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 3.10 2.31 0.00 5.31 3.00 -1.26 -0.78 118.16 129.84 3ktg n LYS 108 Ca 0.17 0.83 0.00 0.00 -0.00 0.00 0.00 58.31 59.31 3ktg n LYS 108 Cb 0.25 -2.55 0.00 0.00 0.00 0.00 0.00 35.03 32.73 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 2.47 3.12 1.30 3.14 0.00 -1.26 -4.85 105.19 109.11 3ktg n GLY 109 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.87 1.91 -3.54 1.61 4.76 0.04 -4.78 118.16 117.30 3ktg n LYS 110 Ca 0.00 -3.17 -0.42 0.00 -2.87 0.00 0.00 58.31 51.86 3ktg n LYS 110 Cb 0.00 -1.86 -0.10 0.00 -1.84 0.00 0.00 35.03 31.22 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 -3.25 2.85 0.37 1.97 0.52 -1.23 -1.93 118.95 118.25 3ktg s ARG 111 Ca 0.46 -1.12 0.08 0.00 -0.52 0.00 0.00 55.73 54.64 3ktg s ARG 111 Cb 0.42 -3.84 -0.05 0.00 0.52 0.00 0.00 34.95 31.99 3ktg s ARG 111 CO 0.01 -0.76 0.11 0.71 0.02 0.00 0.00 175.30 175.39 3ktg s TYR 112 N 1.59 2.61 -0.19 -0.53 1.51 0.32 0.07 117.35 122.72 3ktg s TYR 112 Ca 0.03 -0.49 -0.16 0.00 -1.01 0.00 0.00 57.07 55.44 3ktg s TYR 112 Cb -0.20 -1.72 0.05 0.00 -0.11 0.00 0.00 41.96 39.99 3ktg s TYR 112 CO 0.07 0.33 0.49 0.00 -1.11 0.00 0.00 175.55 175.34 3ktg s ALA 113 N -2.53 -1.23 0.58 3.71 0.00 -1.12 0.04 121.76 121.20 3ktg s ALA 113 Ca 0.38 1.45 -0.14 0.00 0.00 0.00 0.00 51.96 53.64 3ktg s ALA 113 Cb 0.01 -0.85 -0.05 0.00 0.00 0.00 0.00 23.12 22.23 3ktg s ALA 113 CO 0.21 -0.24 1.02 -0.51 0.00 0.00 0.00 175.76 176.24 3ktg s LEU 114 N 0.43 3.43 0.27 0.00 2.01 -0.94 -1.41 118.68 122.47 3ktg s LEU 114 Ca -0.01 1.55 0.04 0.00 0.01 0.00 0.00 54.13 55.72 3ktg s LEU 114 Cb -0.04 -4.50 0.72 0.00 0.01 0.00 0.00 46.19 42.39 3ktg s LEU 114 CO -0.01 -0.82 1.35 -2.65 1.01 0.00 0.00 176.35 175.22 3ktg n PRO 115 N -2.17 -0.07 -0.75 1.29 -0.02 -1.24 -1.47 135.00 130.58 3ktg n PRO 115 Ca 0.07 1.28 -0.01 0.00 -2.02 0.00 0.00 63.50 62.82 3ktg n PRO 115 Cb 0.54 -2.06 0.25 0.00 -0.02 0.00 0.00 33.50 32.21 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 -5.21 3.75 -4.78 2.55 4.13 -1.26 -4.55 115.26 109.90 3ktg n ASN 116 Ca 0.22 -3.32 -0.31 0.00 1.68 0.00 0.00 54.58 52.85 3ktg n ASN 116 Cb 0.72 -0.64 0.09 0.00 -1.54 0.00 0.00 39.78 38.41 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 -1.83 4.61 0.08 6.41 0.01 -0.54 -4.80 113.70 117.63 3ktg s SER 117 Ca 0.47 1.75 0.06 0.00 1.31 0.00 0.00 55.95 59.54 3ktg s SER 117 Cb 0.39 -2.48 -0.03 0.00 0.21 0.00 0.00 66.02 64.11 3ktg s SER 117 CO 0.08 -1.96 -0.17 -1.61 0.41 0.00 0.00 173.24 169.99 3ktg s GLU 118 N -4.94 0.97 -0.02 12.44 2.02 0.15 -3.42 118.70 125.91 3ktg s GLU 118 Ca 0.61 -1.01 0.02 0.00 0.02 0.00 0.00 54.97 54.60 3ktg s GLU 118 Cb -0.16 -1.08 0.00 0.00 0.10 0.00 0.00 34.13 32.98 3ktg s GLU 118 CO 0.56 0.25 -0.06 0.08 0.02 0.00 0.00 175.26 176.11 3ktg s VAL 119 N -1.16 0.49 -0.04 2.63 1.01 -0.68 -1.45 120.40 121.20 3ktg s VAL 119 Ca 0.02 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.79 3ktg s VAL 119 Cb -0.10 -0.45 0.02 0.00 0.00 0.00 0.00 36.38 35.86 3ktg s VAL 119 CO 0.03 0.16 -0.03 -0.32 0.00 0.00 0.00 175.10 174.94 3ktg s MET 120 N 0.18 0.68 0.07 2.72 0.00 -0.74 -0.28 119.30 121.93 3ktg s MET 120 Ca -0.02 -0.05 0.09 0.00 0.00 0.00 0.00 55.69 55.71 3ktg s MET 120 Cb -0.06 -0.74 -0.03 0.00 0.00 0.00 0.00 34.83 33.99 3ktg s MET 120 CO -0.00 -0.10 -0.25 0.96 0.00 0.00 0.00 175.02 175.63 3ktg s ILE 121 N 0.96 2.34 0.13 10.11 -4.36 -0.55 -1.79 121.20 128.02 3ktg s ILE 121 Ca -0.11 -1.47 -0.25 0.00 -0.26 0.00 0.00 60.65 58.56 3ktg s ILE 121 Cb -0.14 -1.97 0.07 0.00 1.25 0.00 0.00 42.46 41.67 3ktg s ILE 121 CO -0.00 0.26 0.90 -1.38 0.24 0.00 0.00 174.94 174.96 3ktg s HIS 122 N -0.92 -0.21 0.67 1.37 -3.43 -1.26 -1.67 115.29 109.84 3ktg s HIS 122 Ca 0.13 -0.06 -0.13 0.00 -0.80 0.00 0.00 55.06 54.20 3ktg s HIS 122 Cb -0.10 0.62 0.00 0.00 -1.43 0.00 0.00 32.58 31.67 3ktg s HIS 122 CO 0.04 -0.79 1.07 1.14 -2.00 0.00 0.00 174.74 174.20 3ktg s GLN 123 N -3.32 2.90 0.95 -0.38 -2.07 0.67 -4.94 119.66 113.46 3ktg s GLN 123 Ca 0.10 1.15 -0.11 0.00 -1.82 0.00 0.00 55.36 54.68 3ktg s GLN 123 Cb -0.02 -1.98 0.14 0.00 -1.09 0.00 0.00 33.01 30.06 3ktg s GLN 123 CO -0.01 -1.14 0.98 -2.30 -1.32 0.00 0.00 175.29 171.50 3ktg n PRO 124 N -2.73 -0.61 -4.39 9.60 -0.02 -1.26 -5.04 135.00 130.54 3ktg n PRO 124 Ca 0.09 -0.12 -0.21 0.00 -2.02 0.00 0.00 63.50 61.24 3ktg n PRO 124 Cb 0.53 -2.25 -0.13 0.00 -0.02 0.00 0.00 33.50 31.63 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 -5.51 2.19 0.00 2.45 1.43 -1.26 -5.12 118.68 112.85 3ktg s LEU 125 Ca 0.65 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 3ktg s LEU 125 Cb -0.23 -0.68 0.00 0.00 0.03 0.00 0.00 46.19 45.31 3ktg s LEU 125 CO 0.61 0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.84 3ktg n GLY 126 N 1.80 2.59 3.63 -3.19 0.00 -1.26 -5.07 105.19 103.68 3ktg n GLY 126 Ca -0.18 -0.72 -0.07 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.19 -0.36 -0.27 -0.02 0.00 -1.26 -5.17 107.32 100.05 3ktg s GLY 127 Ca 0.00 0.38 -0.20 0.00 0.00 0.00 0.00 44.72 44.89 3ktg s GLY 127 CO 0.00 0.11 0.70 0.00 0.00 0.00 0.00 173.10 173.92 3ktg s ALA 128 N -3.46 -1.83 0.07 3.20 0.00 -1.26 -5.00 121.76 113.48 3ktg s ALA 128 Ca 0.07 2.24 0.03 0.00 0.00 0.00 0.00 51.96 54.30 3ktg s ALA 128 Cb -0.02 -1.31 -0.03 0.00 0.00 0.00 0.00 23.12 21.76 3ktg s ALA 128 CO -0.03 -0.36 -0.10 -1.14 0.00 0.00 0.00 175.76 174.12 3ktg s GLN 129 N 1.05 0.71 0.00 0.00 2.00 -1.26 -5.00 119.66 117.16 3ktg s GLN 129 Ca -0.05 -0.95 0.00 0.00 -2.00 0.00 0.00 55.36 52.36 3ktg s GLN 129 Cb -0.05 -0.51 0.00 0.00 0.80 0.00 0.00 33.01 33.25 3ktg s GLN 129 CO -0.10 0.10 0.00 0.41 -0.50 0.00 0.00 175.29 175.19 3ktg n GLY 130 N 1.10 0.61 3.81 2.59 0.00 -1.26 -4.73 105.19 107.30 3ktg n GLY 130 Ca -0.20 -2.11 -0.32 0.00 0.00 0.00 0.00 46.02 43.39 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 -0.57 3.16 0.25 1.61 -0.21 -1.26 -4.79 119.66 117.84 3ktg s GLN 131 Ca 0.00 1.11 -0.07 0.00 0.02 0.00 0.00 55.36 56.43 3ktg s GLN 131 Cb 0.00 -2.01 0.45 0.00 1.00 0.00 0.00 33.01 32.44 3ktg s GLN 131 CO 0.00 -0.93 1.63 0.00 -2.12 0.00 0.00 175.29 173.87 3ktg h ALA 132 N -0.01 0.79 -0.89 6.09 0.00 -1.98 0.22 119.26 123.48 3ktg h ALA 132 Ca -0.46 0.25 0.11 0.00 0.00 0.00 0.00 54.91 54.81 3ktg h ALA 132 Cb 1.22 0.43 -0.08 0.00 0.00 0.00 0.00 17.79 19.36 3ktg h ALA 132 CO 0.57 -0.43 0.53 1.15 0.00 0.00 0.00 179.25 181.07 3ktg h THR 133 N 0.10 0.90 -0.11 0.00 2.02 -1.99 0.13 112.91 113.96 3ktg h THR 133 Ca 0.42 -0.29 -0.20 0.00 0.77 0.00 0.00 66.41 67.11 3ktg h THR 133 Cb 0.74 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 3ktg h THR 133 CO -0.68 0.16 -0.74 -0.33 0.37 0.00 0.00 175.52 174.30 3ktg h GLU 134 N 0.86 0.54 -0.11 6.66 5.08 -1.00 -2.45 114.58 124.15 3ktg h GLU 134 Ca 0.44 -0.43 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 3ktg h GLU 134 Cb 0.42 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3ktg h GLU 134 CO -0.26 1.06 -0.42 0.82 -1.00 0.00 0.00 179.01 179.21 3ktg h ILE 135 N 0.37 1.31 -0.22 3.13 2.04 -0.40 -1.75 117.51 121.98 3ktg h ILE 135 Ca -0.04 -1.55 -0.05 0.00 1.00 0.00 0.00 64.86 64.22 3ktg h ILE 135 Cb 1.33 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 39.10 3ktg h ILE 135 CO 0.14 0.46 -0.05 -0.08 0.00 0.00 0.00 178.15 178.62 3ktg h GLU 136 N 0.21 0.43 -0.25 2.37 4.81 -0.69 0.65 114.58 122.11 3ktg h GLU 136 Ca 0.02 -0.16 0.03 0.00 -0.13 0.00 0.00 59.36 59.12 3ktg h GLU 136 Cb 0.84 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.16 3ktg h GLU 136 CO 0.07 0.66 0.07 0.82 -0.73 0.00 0.00 179.01 179.90 3ktg h ILE 137 N 0.16 0.92 -0.68 2.32 2.04 -1.25 0.15 117.51 121.17 3ktg h ILE 137 Ca 0.06 -0.06 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 3ktg h ILE 137 Cb 0.50 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 3ktg h ILE 137 CO 0.02 0.03 0.18 0.00 0.00 0.00 0.00 178.15 178.39 3ktg h ALA 138 N 1.17 1.04 -0.29 1.87 0.00 -1.24 -1.09 119.26 120.70 3ktg h ALA 138 Ca 0.11 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3ktg h ALA 138 Cb 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3ktg h ALA 138 CO -0.13 0.64 0.09 0.00 0.00 0.00 0.00 179.25 179.85 3ktg h ALA 139 N 1.17 0.39 -0.80 0.00 0.00 -0.25 -1.79 119.26 117.99 3ktg h ALA 139 Ca 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3ktg h ALA 139 Cb 0.33 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3ktg h ALA 139 CO -0.00 0.03 0.41 0.87 0.00 0.00 0.00 179.25 180.56 3ktg h LYS 140 N 0.31 1.13 0.55 0.00 1.57 -0.46 -1.62 116.57 118.05 3ktg h LYS 140 Ca 0.09 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3ktg h LYS 140 Cb 0.26 -0.21 0.01 0.00 0.08 0.00 0.00 32.23 32.36 3ktg h LYS 140 CO -0.00 0.85 -0.26 -0.09 -0.57 0.00 0.00 179.45 179.38 3ktg h ARG 141 N 1.11 -0.71 -0.95 3.15 2.43 -1.02 -0.98 114.38 117.41 3ktg h ARG 141 Ca 0.28 0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.52 3ktg h ARG 141 Cb 0.07 0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.73 3ktg h ARG 141 CO -0.04 -0.44 0.63 0.97 -1.51 0.00 0.00 179.97 179.57 3ktg h ILE 142 N -0.80 1.20 0.00 1.20 2.10 -1.22 0.17 117.51 120.16 3ktg h ILE 142 Ca -0.08 -0.43 -0.06 0.00 1.08 0.00 0.00 64.86 65.38 3ktg h ILE 142 Cb 0.59 -0.15 -0.01 0.00 -1.09 0.00 0.00 36.82 36.16 3ktg h ILE 142 CO 0.12 0.23 -0.30 -0.07 -1.08 0.00 0.00 178.15 177.05 3ktg h LEU 143 N 1.24 0.00 0.02 2.19 3.38 -1.20 -1.33 115.31 119.61 3ktg h LEU 143 Ca 0.36 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.10 3ktg h LEU 143 Cb -0.07 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.70 3ktg h LEU 143 CO -0.10 0.30 -0.92 0.25 0.09 0.00 0.00 178.44 178.06 3ktg h LEU 144 N 0.00 0.77 -1.39 1.67 6.46 0.40 -2.89 115.31 120.34 3ktg h LEU 144 Ca -0.00 -0.76 -0.03 0.00 -0.12 0.00 0.00 57.88 56.96 3ktg h LEU 144 Cb 0.55 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.22 3ktg h LEU 144 CO 0.04 1.44 0.09 -0.07 -0.62 0.00 0.00 178.44 179.32 3ktg h LEU 145 N 0.19 0.46 -0.67 2.25 3.38 -0.48 -0.97 115.31 119.46 3ktg h LEU 145 Ca -0.12 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 3ktg h LEU 145 Cb 1.60 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 42.21 3ktg h LEU 145 CO 0.18 0.46 0.27 -0.09 0.09 0.00 0.00 178.44 179.35 3ktg h ARG 146 N 0.49 1.01 -0.18 1.13 2.43 -1.20 -1.43 114.38 116.64 3ktg h ARG 146 Ca 0.12 -0.18 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 3ktg h ARG 146 Cb 0.19 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3ktg h ARG 146 CO -0.00 0.84 -0.07 -0.44 -1.51 0.00 0.00 179.97 178.79 3ktg h ASP 147 N 0.96 0.37 0.02 -3.80 3.32 -1.15 -1.10 116.42 115.03 3ktg h ASP 147 Ca 0.22 -0.40 0.03 0.00 0.02 0.00 0.00 57.03 56.91 3ktg h ASP 147 Cb 0.21 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 3ktg h ASP 147 CO -0.02 0.68 -0.39 0.50 -1.72 0.00 0.00 179.24 178.30 3ktg h LYS 148 N 0.05 -0.53 -0.38 3.56 3.64 -1.01 0.59 116.57 122.50 3ktg h LYS 148 Ca 0.04 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3ktg h LYS 148 Cb 0.53 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 3ktg h LYS 148 CO 0.02 -0.36 0.22 -0.07 -2.27 0.00 0.00 179.45 177.00 3ktg h LEU 149 N -0.55 0.46 -1.45 5.20 3.38 -1.31 -2.31 115.31 118.71 3ktg h LEU 149 Ca 0.05 -0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.06 3ktg h LEU 149 Cb 0.63 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 3ktg h LEU 149 CO -0.29 0.38 0.48 0.78 0.09 0.00 0.00 178.44 179.88 3ktg h ASN 150 N 0.49 0.55 0.05 -0.43 2.35 -0.75 -0.18 115.58 117.66 3ktg h ASN 150 Ca 0.13 0.02 -0.16 0.00 -0.55 0.00 0.00 56.30 55.74 3ktg h ASN 150 Cb 0.01 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3ktg h ASN 150 CO -0.02 0.32 -0.54 0.11 -1.65 0.00 0.00 177.43 175.65 3ktg h LYS 151 N 0.61 0.53 -0.24 0.81 1.57 -0.36 0.47 116.57 119.96 3ktg h LYS 151 Ca 0.34 -0.33 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 3ktg h LYS 151 Cb 0.51 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 3ktg h LYS 151 CO -0.12 0.93 -0.22 0.28 -0.57 0.00 0.00 179.45 179.74 3ktg h VAL 152 N 0.41 1.32 -0.59 0.50 2.07 -0.82 -2.36 116.25 116.78 3ktg h VAL 152 Ca 0.01 -1.38 -0.06 0.00 0.82 0.00 0.00 66.70 66.09 3ktg h VAL 152 Cb 1.07 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 32.49 3ktg h VAL 152 CO 0.10 0.43 0.12 0.25 0.02 0.00 0.00 177.57 178.49 3ktg h LEU 153 N 0.27 0.87 -0.41 2.57 7.12 -1.01 0.84 115.31 125.56 3ktg h LEU 153 Ca 0.04 -0.18 0.00 0.00 0.13 0.00 0.00 57.88 57.88 3ktg h LEU 153 Cb 0.78 -0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 40.66 3ktg h LEU 153 CO 0.06 0.86 0.27 0.00 -0.13 0.00 0.00 178.44 179.50 3ktg h ALA 154 N 1.24 0.52 0.14 1.25 0.00 -0.83 0.04 119.26 121.63 3ktg h ALA 154 Ca 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3ktg h ALA 154 Cb 0.35 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3ktg h ALA 154 CO 0.00 -0.02 -0.07 0.93 0.00 0.00 0.00 179.25 180.09 3ktg h GLU 155 N 0.55 -0.18 -0.86 0.00 5.08 -0.98 0.66 114.58 118.86 3ktg h GLU 155 Ca 0.15 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.59 3ktg h GLU 155 Cb -0.06 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.17 3ktg h GLU 155 CO -0.03 0.17 0.56 0.00 -1.00 0.00 0.00 179.01 178.71 3ktg h ARG 156 N -0.56 0.91 0.00 2.33 2.47 -0.78 -2.97 114.38 115.77 3ktg h ARG 156 Ca -0.02 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.60 3ktg h ARG 156 Cb 0.44 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.54 3ktg h ARG 156 CO 0.03 0.60 -1.50 0.25 0.56 0.00 0.00 179.97 179.91 3ktg n THR 157 N -4.49 0.51 -0.67 2.04 -2.24 -0.01 -4.87 114.28 104.55 3ktg n THR 157 Ca 0.13 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 3ktg n THR 157 Cb 0.22 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 3ktg n THR 157 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ktg n GLY 158 N 1.27 0.89 3.78 3.38 0.00 0.23 -4.47 105.19 110.27 3ktg n GLY 158 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.31 4.56 0.55 1.61 -1.52 -0.95 -4.98 119.66 118.62 3ktg s GLN 159 Ca 0.00 1.21 -0.20 0.00 -1.95 0.00 0.00 55.36 54.42 3ktg s GLN 159 Cb 0.00 -3.02 -0.05 0.00 -0.22 0.00 0.00 33.01 29.71 3ktg s GLN 159 CO 0.00 0.42 1.17 -1.25 -0.25 0.00 0.00 175.29 175.38 3ktg s PRO 160 N -1.65 3.28 0.23 2.91 0.04 -1.26 -4.42 135.00 134.13 3ktg s PRO 160 Ca 0.43 1.73 -0.14 0.00 0.04 0.00 0.00 61.00 63.06 3ktg s PRO 160 Cb -0.21 -2.05 0.29 0.00 0.04 0.00 0.00 34.50 32.57 3ktg s PRO 160 CO 0.25 -0.94 1.58 1.25 0.04 0.00 0.00 177.00 179.19 3ktg h LEU 161 N 1.23 -1.00 -1.36 -3.56 5.85 -1.91 0.47 115.31 115.02 3ktg h LEU 161 Ca -0.50 0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.48 3ktg h LEU 161 Cb 1.27 0.58 0.00 0.00 0.37 0.00 0.00 40.66 42.88 3ktg h LEU 161 CO 0.57 -0.29 0.00 -0.33 -0.34 0.00 0.00 178.44 178.05 3ktg h GLU 162 N -0.04 0.00 0.24 1.25 5.08 -1.96 -0.55 114.58 118.60 3ktg h GLU 162 Ca 0.35 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.39 3ktg h GLU 162 Cb 0.60 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.89 3ktg h GLU 162 CO -0.85 0.00 -1.41 0.28 -1.00 0.00 0.00 179.01 176.03 3ktg h VAL 163 N 0.00 1.30 -0.91 3.13 2.07 -1.27 -2.73 116.25 117.84 3ktg h VAL 163 Ca 0.00 -2.67 -0.00 0.00 0.82 0.00 0.00 66.70 64.85 3ktg h VAL 163 Cb 0.29 3.04 -0.04 0.00 -1.52 0.00 0.00 31.29 33.06 3ktg h VAL 163 CO 0.00 0.80 0.55 0.40 0.02 0.00 0.00 177.57 179.34 3ktg h ILE 164 N 0.11 1.25 0.45 4.57 1.08 -0.87 -0.45 117.51 123.65 3ktg h ILE 164 Ca -0.25 -0.55 -0.02 0.00 -0.39 0.00 0.00 64.86 63.66 3ktg h ILE 164 Cb 2.12 -0.04 0.00 0.00 -3.07 0.00 0.00 36.82 35.83 3ktg h ILE 164 CO 0.27 0.26 -0.23 -0.33 -0.69 0.00 0.00 178.15 177.43 3ktg h GLU 165 N 1.26 -0.60 -0.53 2.37 5.08 -1.17 -2.25 114.58 118.75 3ktg h GLU 165 Ca 0.33 0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.67 3ktg h GLU 165 Cb -0.06 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3ktg h GLU 165 CO -0.06 -0.40 0.12 -0.09 -1.00 0.00 0.00 179.01 177.58 3ktg h ARG 166 N -0.62 0.85 0.00 2.33 2.43 -1.37 -2.93 114.38 115.07 3ktg h ARG 166 Ca -0.06 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 3ktg h ARG 166 Cb 0.48 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3ktg h ARG 166 CO 0.09 0.81 0.00 -0.44 -1.51 0.00 0.00 179.97 178.92 3ktg h ASP 167 N 0.74 0.00 -0.39 -3.80 3.32 -1.05 -2.64 116.42 112.61 3ktg h ASP 167 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3ktg h ASP 167 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3ktg h ASP 167 CO 0.00 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.87 3ktg n THR 168 N -2.78 1.17 0.01 0.35 -2.24 -0.85 -4.59 114.28 105.35 3ktg n THR 168 Ca -0.00 -1.10 -0.10 0.00 -2.27 0.00 0.00 64.05 60.58 3ktg n THR 168 Cb 0.21 0.41 -0.05 0.00 -2.10 0.00 0.00 70.33 68.79 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 2.29 -0.11 -2.23 3.42 -0.00 -1.30 0.19 116.42 118.69 3ktg h ASP 169 Ca 0.00 0.03 -0.59 0.00 -0.00 0.00 0.00 57.03 56.47 3ktg h ASP 169 Cb 0.86 0.06 -0.14 0.00 -0.00 0.00 0.00 39.33 40.11 3ktg h ASP 169 CO 0.03 -0.04 -0.69 -0.13 -0.00 0.00 0.00 179.24 178.40 3ktg s ARG 170 N -6.19 1.72 -0.13 0.28 0.52 -1.26 -4.61 118.95 109.28 3ktg s ARG 170 Ca -0.13 -1.87 -0.39 0.00 -0.52 0.00 0.00 55.73 52.82 3ktg s ARG 170 Cb 0.08 -1.58 -0.16 0.00 0.52 0.00 0.00 34.95 33.81 3ktg s ARG 170 CO 0.67 0.15 1.60 -0.25 0.02 0.00 0.00 175.30 177.50 3ktg n ASP 171 N -0.71 2.18 -4.03 0.23 8.00 -1.26 -4.76 116.55 116.20 3ktg n ASP 171 Ca -0.05 1.09 -0.31 0.00 0.71 0.00 0.00 54.79 56.22 3ktg n ASP 171 Cb 0.63 -1.17 -0.15 0.00 -0.02 0.00 0.00 41.12 40.40 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 2.43 4.65 -0.16 -2.24 3.04 -0.67 -5.01 114.94 116.98 3ktg s ASN 172 Ca 0.93 -1.90 -0.17 0.00 0.04 0.00 0.00 52.86 51.75 3ktg s ASN 172 Cb -1.01 -1.59 -0.04 0.00 -1.54 0.00 0.00 41.25 37.08 3ktg s ASN 172 CO 0.58 -0.32 0.45 -0.36 -3.04 0.00 0.00 177.10 174.41 3ktg s PHE 173 N 0.98 3.45 -0.03 0.43 0.08 -1.26 -1.49 117.98 120.14 3ktg s PHE 173 Ca 0.05 0.78 0.05 0.00 0.12 0.00 0.00 56.93 57.93 3ktg s PHE 173 Cb -0.19 -2.55 -0.01 0.00 -0.57 0.00 0.00 43.02 39.69 3ktg s PHE 173 CO -0.07 0.08 -0.18 0.15 -0.10 0.00 0.00 175.22 175.09 3ktg s LYS 174 N 0.96 1.67 1.14 0.44 1.02 0.61 -5.00 119.74 120.58 3ktg s LYS 174 Ca 0.23 -0.66 -0.19 0.00 0.02 0.00 0.00 55.97 55.38 3ktg s LYS 174 Cb -0.15 -1.54 0.27 0.00 -0.52 0.00 0.00 37.83 35.89 3ktg s LYS 174 CO 0.09 0.34 1.20 -1.54 -0.92 0.00 0.00 175.35 174.52 3ktg s SER 175 N -0.25 1.51 0.28 2.83 1.04 -1.26 -1.69 113.70 116.16 3ktg s SER 175 Ca 0.03 0.41 0.02 0.00 0.48 0.00 0.00 55.95 56.88 3ktg s SER 175 Cb -0.09 -0.51 0.40 0.00 0.10 0.00 0.00 66.02 65.92 3ktg s SER 175 CO 0.01 -3.74 1.73 0.00 0.98 0.00 0.00 173.24 172.21 3ktg h ALA 176 N -2.33 1.10 -0.28 5.32 0.00 -1.79 -0.82 119.26 120.46 3ktg h ALA 176 Ca -0.44 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.10 3ktg h ALA 176 Cb 1.26 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3ktg h ALA 176 CO 0.32 0.56 0.03 0.93 0.00 0.00 0.00 179.25 181.08 3ktg h GLU 177 N 0.46 0.48 -0.63 0.00 3.07 -1.92 -2.10 114.58 113.94 3ktg h GLU 177 Ca 0.07 -0.14 -0.05 0.00 -0.50 0.00 0.00 59.36 58.74 3ktg h GLU 177 Cb 0.64 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.47 3ktg h GLU 177 CO 0.05 0.61 0.18 0.93 -1.40 0.00 0.00 179.01 179.38 3ktg h GLU 178 N 0.29 0.96 -0.72 2.33 5.08 -1.85 -0.53 114.58 120.13 3ktg h GLU 178 Ca 0.08 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 3ktg h GLU 178 Cb 0.37 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 3ktg h GLU 178 CO 0.01 0.83 0.24 0.00 -1.00 0.00 0.00 179.01 179.09 3ktg h ALA 179 N 1.28 1.05 0.08 3.43 0.00 -1.05 0.22 119.26 124.27 3ktg h ALA 179 Ca 0.20 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ktg h ALA 179 Cb 0.28 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ktg h ALA 179 CO -0.01 0.65 -0.04 1.25 0.00 0.00 0.00 179.25 181.10 3ktg h LEU 180 N 1.07 -0.09 -0.85 0.00 5.85 -0.83 -0.27 115.31 120.19 3ktg h LEU 180 Ca 0.24 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.83 3ktg h LEU 180 Cb 0.28 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 3ktg h LEU 180 CO -0.01 0.12 0.54 -0.08 -0.34 0.00 0.00 178.44 178.67 3ktg h GLU 181 N -0.30 0.99 0.00 1.25 4.57 -0.82 -2.27 114.58 118.00 3ktg h GLU 181 Ca -0.01 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.05 3ktg h GLU 181 Cb 0.25 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 3ktg h GLU 181 CO 0.02 0.65 -0.27 -0.92 -1.18 0.00 0.00 179.01 177.31 3ktg h TYR 182 N 1.02 0.00 0.00 0.92 3.20 -0.44 -3.47 116.97 118.20 3ktg h TYR 182 Ca 0.36 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.23 3ktg h TYR 182 Cb 0.09 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.36 3ktg h TYR 182 CO -0.03 0.27 0.00 0.41 -1.64 0.00 0.00 178.16 177.17 3ktg n GLY 183 N -0.22 1.14 0.10 1.82 0.00 -0.81 -4.70 105.19 102.51 3ktg n GLY 183 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 0.19 -8.62 0.99 3.38 -1.28 -3.36 115.31 106.60 3ktg h LEU 184 Ca 0.00 -0.17 -0.35 0.00 0.09 0.00 0.00 57.88 57.45 3ktg h LEU 184 Cb 0.00 -0.06 -0.16 0.00 0.09 0.00 0.00 40.66 40.53 3ktg h LEU 184 CO 0.00 1.05 -0.73 0.27 0.09 0.00 0.00 178.44 179.12 3ktg s ILE 185 N -2.96 1.19 -0.12 1.22 -4.36 -1.17 -4.20 121.20 110.80 3ktg s ILE 185 Ca -0.02 -1.93 0.11 0.00 -0.26 0.00 0.00 60.65 58.55 3ktg s ILE 185 Cb 0.10 -1.72 -0.24 0.00 1.25 0.00 0.00 42.46 41.85 3ktg s ILE 185 CO 0.83 -0.65 0.37 0.47 0.24 0.00 0.00 174.94 176.20 3ktg n ASP 186 N 0.05 0.82 -3.62 4.36 8.00 0.11 -4.49 116.55 121.78 3ktg n ASP 186 Ca -0.12 0.22 -0.16 0.00 0.71 0.00 0.00 54.79 55.44 3ktg n ASP 186 Cb 0.59 0.17 -0.07 0.00 -0.02 0.00 0.00 41.12 41.79 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 -2.55 0.88 -0.38 -1.24 2.20 -1.07 -5.02 119.74 112.56 3ktg s LYS 187 Ca -0.11 0.27 -0.15 0.00 -0.36 0.00 0.00 55.97 55.62 3ktg s LYS 187 Cb 0.07 0.41 0.00 0.00 -1.51 0.00 0.00 37.83 36.81 3ktg s LYS 187 CO 0.80 -0.24 0.36 0.42 -0.36 0.00 0.00 175.35 176.33 3ktg s ILE 188 N -0.89 5.18 0.58 5.43 1.01 -1.26 -2.80 121.20 128.44 3ktg s ILE 188 Ca -0.09 -0.27 -0.16 0.00 0.00 0.00 0.00 60.65 60.12 3ktg s ILE 188 Cb -0.02 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 3ktg s ILE 188 CO 0.06 -0.24 1.05 -0.76 0.00 0.00 0.00 174.94 175.06 3ktg s LEU 189 N 1.94 3.55 0.00 2.97 1.43 -0.50 -4.93 118.68 123.14 3ktg s LEU 189 Ca 0.10 1.81 0.00 0.00 -1.03 0.00 0.00 54.13 55.01 3ktg s LEU 189 Cb -0.17 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.51 3ktg s LEU 189 CO 0.12 -1.08 0.00 0.35 0.23 0.00 0.00 176.35 175.96 3ktg n THR 190 N -1.88 0.00 -3.90 5.49 -2.24 -1.26 -3.63 114.28 106.86 3ktg n THR 190 Ca 0.09 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.65 3ktg n THR 190 Cb 0.53 -0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.47 3ktg n THR 190 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3ktg s HIS 191 N -1.45 2.99 -0.02 4.78 3.76 -1.26 -5.05 115.29 119.04 3ktg s HIS 191 Ca 0.00 -0.23 -0.22 0.00 -0.15 0.00 0.00 55.06 54.47 3ktg s HIS 191 Cb 0.00 -1.67 -0.14 0.00 1.11 0.00 0.00 32.58 31.89 3ktg s HIS 191 CO 0.00 0.30 0.96 1.37 -0.85 0.00 0.00 174.74 176.51 3ktg h LEU 192 N 1.31 -0.46 -0.04 0.89 -0.00 -1.99 -3.17 115.31 111.86 3ktg h LEU 192 Ca -0.46 -0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.31 3ktg h LEU 192 Cb 1.25 0.12 0.00 0.00 -0.00 0.00 0.00 40.66 42.03 3ktg h LEU 192 CO 0.59 -0.03 0.00 -1.84 -0.00 0.00 0.00 178.44 177.16 3ktg n GLU 193 N -5.16 0.01 0.07 0.17 -0.00 -1.26 -2.48 120.64 111.99 3ktg n GLU 193 Ca -0.09 0.28 0.09 0.00 -0.00 0.00 0.00 57.16 57.44 3ktg n GLU 193 Cb 0.28 -1.52 0.40 0.00 -0.00 0.00 0.00 31.44 30.60 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 -1.54 0.42 -2.32 -1.84 8.25 -1.20 -4.65 115.22 112.34 3ktg n HIS 194 Ca 0.03 0.17 -0.41 0.00 -0.26 0.00 0.00 57.72 57.25 3ktg n HIS 194 Cb 0.16 -0.77 -0.03 0.00 1.12 0.00 0.00 29.99 30.47 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 -3.17 3.36 0.50 4.41 2.46 -1.04 -4.90 115.29 116.92 3ktg s HIS 195 Ca 0.05 1.50 0.28 0.00 0.47 0.00 0.00 55.06 57.36 3ktg s HIS 195 Cb 0.09 -3.47 1.37 0.00 -0.13 0.00 0.00 32.58 30.45 3ktg s HIS 195 CO 0.33 -1.22 1.87 1.12 -2.47 0.00 0.00 174.74 174.37 3ktg h HIS 196 N 4.19 0.16 0.00 3.88 2.07 -1.91 -2.96 115.15 120.58 3ktg h HIS 196 Ca -0.47 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.06 3ktg h HIS 196 Cb 1.22 -0.05 0.00 0.00 2.57 0.00 0.00 27.41 31.15 3ktg h HIS 196 CO 0.59 0.03 0.00 1.58 -3.07 0.00 0.00 177.93 177.06 3ktg n HIS 197 N -4.34 0.00 1.35 6.12 -0.00 -1.26 -5.21 115.22 111.88 3ktg n HIS 197 Ca 0.19 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 58.02 3ktg n HIS 197 Cb 0.91 -0.49 0.64 0.00 -0.00 0.00 0.00 29.99 31.05 3ktg n HIS 197 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06