#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pdt n ASP 46 N 0.00 6.11 -0.05 7.72 2.03 -1.26 -4.79 116.55 126.32 2pdt n ASP 46 Ca 0.00 -3.11 -0.09 0.00 0.52 0.00 0.00 54.79 52.11 2pdt n ASP 46 Cb 0.00 -1.44 -0.02 0.00 -0.72 0.00 0.00 41.12 38.94 2pdt n ASP 46 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2pdt h ILE 47 N 3.36 0.91 -0.92 5.18 1.08 -2.04 -2.09 117.51 122.99 2pdt h ILE 47 Ca 0.50 -0.05 -0.01 0.00 -0.39 0.00 0.00 64.86 64.92 2pdt h ILE 47 Cb 0.52 0.76 -0.04 0.00 -3.07 0.00 0.00 36.82 34.98 2pdt h ILE 47 CO 1.59 0.03 0.55 0.24 -0.69 0.00 0.00 178.15 179.86 2pdt h MET 48 N 0.14 1.26 -0.60 2.37 2.86 -2.00 -0.93 114.93 118.03 2pdt h MET 48 Ca 0.10 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 2pdt h MET 48 Cb 0.09 -0.26 -0.03 0.00 0.06 0.00 0.00 31.60 31.46 2pdt h MET 48 CO -0.12 0.89 0.30 0.78 1.06 0.00 0.00 176.91 179.81 2pdt h GLY 49 N 1.28 0.90 1.51 8.32 0.00 -1.86 -1.43 103.07 111.79 2pdt h GLY 49 Ca 0.33 -0.41 -0.20 0.00 0.00 0.00 0.00 47.33 47.05 2pdt h GLY 49 CO -0.06 0.39 -0.78 -0.97 0.00 0.00 0.00 176.54 175.12 2pdt h TYR 50 N 0.84 0.64 -0.79 5.60 0.05 -0.69 -1.10 116.97 121.53 2pdt h TYR 50 Ca 0.21 -0.30 0.02 0.00 0.05 0.00 0.00 58.73 58.71 2pdt h TYR 50 Cb 0.07 -0.09 -0.04 0.00 1.01 0.00 0.00 36.73 37.68 2pdt h TYR 50 CO 0.01 1.08 0.51 -0.07 -1.05 0.00 0.00 178.16 178.64 2pdt h LEU 51 N 0.31 0.86 -0.60 3.88 3.38 -0.62 0.81 115.31 123.33 2pdt h LEU 51 Ca -0.05 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 2pdt h LEU 51 Cb 1.38 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2pdt h LEU 51 CO 0.14 0.61 -0.30 0.40 0.09 0.00 0.00 178.44 179.38 2pdt h ILE 52 N 1.02 1.28 -0.39 1.22 2.04 -1.14 -1.68 117.51 119.85 2pdt h ILE 52 Ca 0.31 -1.44 -0.01 0.00 1.00 0.00 0.00 64.86 64.72 2pdt h ILE 52 Cb -0.04 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 2pdt h ILE 52 CO -0.09 0.48 0.22 -0.61 0.00 0.00 0.00 178.15 178.14 2pdt h GLN 53 N 0.68 0.55 0.27 2.37 4.15 -0.35 -1.56 115.11 121.21 2pdt h GLN 53 Ca 0.08 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 2pdt h GLN 53 Cb 0.83 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.42 2pdt h GLN 53 CO 0.07 0.44 -0.13 0.82 -1.93 0.00 0.00 178.83 178.11 2pdt h ILE 54 N 0.51 0.75 0.00 2.39 2.04 -0.68 -1.18 117.51 121.34 2pdt h ILE 54 Ca 0.14 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.93 2pdt h ILE 54 Cb 0.05 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 2pdt h ILE 54 CO -0.02 0.02 -0.00 0.24 0.00 0.00 0.00 178.15 178.38 2pdt h MET 55 N -0.40 0.00 -0.02 2.37 2.86 -1.20 -1.51 114.93 117.04 2pdt h MET 55 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2pdt h MET 55 Cb 0.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 2pdt h MET 55 CO 0.06 0.00 -0.26 0.09 1.06 0.00 0.00 176.91 177.87 2pdt n ASN 56 N -3.54 2.11 -4.74 1.22 3.02 -0.60 -4.98 115.26 107.75 2pdt n ASN 56 Ca -0.03 -1.56 -0.42 0.00 -0.03 0.00 0.00 54.58 52.54 2pdt n ASN 56 Cb 0.08 0.24 -0.01 0.00 -0.61 0.00 0.00 39.78 39.48 2pdt n ASN 56 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2pdt n ARG 57 N 0.31 2.66 0.10 3.52 1.85 -0.49 -4.92 116.66 119.69 2pdt n ARG 57 Ca 0.12 0.95 0.12 0.00 -1.00 0.00 0.00 57.85 58.04 2pdt n ARG 57 Cb 0.48 -2.72 0.28 0.00 -1.05 0.00 0.00 32.46 29.45 2pdt n ARG 57 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 2pdt h PRO 58 N 4.56 0.00 -1.85 2.89 0.13 -1.91 -3.37 132.00 132.45 2pdt h PRO 58 Ca -0.47 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.96 2pdt h PRO 58 Cb 1.23 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 32.02 2pdt h PRO 58 CO 0.77 0.00 0.28 0.27 -0.23 0.00 0.00 178.00 179.09 2pdt n ASN 59 N -2.29 6.26 -4.63 1.44 6.94 -1.26 -5.03 115.26 116.70 2pdt n ASN 59 Ca 0.04 -3.77 -0.43 0.00 -0.02 0.00 0.00 54.58 50.40 2pdt n ASN 59 Cb 0.45 -0.81 -0.03 0.00 -2.36 0.00 0.00 39.78 37.03 2pdt n ASN 59 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 2pdt s PRO 60 N -3.86 3.71 0.00 -0.53 0.04 -1.26 -4.82 135.00 128.27 2pdt s PRO 60 Ca 0.49 1.75 0.21 0.00 0.04 0.00 0.00 61.00 63.49 2pdt s PRO 60 Cb 0.40 -4.10 -0.04 0.00 0.04 0.00 0.00 34.50 30.80 2pdt s PRO 60 CO -0.29 -1.41 1.01 1.04 0.04 0.00 0.00 177.00 177.38 2pdt n GLN 61 N 7.85 1.21 -4.12 4.56 1.13 -1.26 -4.96 117.38 121.78 2pdt n GLN 61 Ca 0.20 -0.83 -0.10 0.00 -1.94 0.00 0.00 57.00 54.34 2pdt n GLN 61 Cb 0.45 -1.43 -0.10 0.00 0.11 0.00 0.00 30.24 29.27 2pdt n GLN 61 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2pdt s VAL 62 N -2.42 0.50 -1.01 5.09 1.01 -1.26 -5.00 120.40 117.31 2pdt s VAL 62 Ca 0.16 -1.71 -0.11 0.00 0.00 0.00 0.00 61.98 60.32 2pdt s VAL 62 Cb 0.17 -1.39 0.25 0.00 0.00 0.00 0.00 36.38 35.41 2pdt s VAL 62 CO 0.57 -0.82 1.00 -0.70 0.00 0.00 0.00 175.10 175.16 2pdt s GLU 63 N -3.39 3.98 0.01 2.72 -6.30 -1.26 -4.80 118.70 109.66 2pdt s GLU 63 Ca 0.06 -2.91 -0.15 0.00 -2.50 0.00 0.00 54.97 49.46 2pdt s GLU 63 Cb 0.03 -4.54 -0.34 0.00 0.00 0.00 0.00 34.13 29.28 2pdt s GLU 63 CO -0.05 -1.28 0.91 1.25 0.02 0.00 0.00 175.26 176.10 2pdt h LEU 64 N 7.21 0.78 -0.02 2.70 5.85 -2.01 -3.51 115.31 126.32 2pdt h LEU 64 Ca 0.16 -0.93 0.02 0.00 0.84 0.00 0.00 57.88 57.97 2pdt h LEU 64 Cb 0.93 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 2pdt h LEU 64 CO 0.93 1.72 -0.04 0.61 -0.34 0.00 0.00 178.44 181.32 2pdt n GLY 65 N 1.75 -1.70 3.77 3.75 0.00 -1.26 -4.85 105.19 106.66 2pdt n GLY 65 Ca -0.19 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 2pdt n GLY 65 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pdt s PRO 66 N -1.65 4.19 0.04 1.61 0.04 -1.26 -5.00 135.00 132.97 2pdt s PRO 66 Ca 0.00 2.33 -0.01 0.00 0.04 0.00 0.00 61.00 63.36 2pdt s PRO 66 Cb 0.00 -2.97 -0.03 0.00 0.04 0.00 0.00 34.50 31.54 2pdt s PRO 66 CO 0.00 -0.37 -0.03 0.54 0.04 0.00 0.00 177.00 177.18 2pdt s VAL 67 N -1.16 0.20 0.34 -0.36 0.11 -1.26 -5.18 120.40 113.10 2pdt s VAL 67 Ca 0.52 -1.52 0.06 0.00 -2.93 0.00 0.00 61.98 58.11 2pdt s VAL 67 Cb -0.42 -1.11 -0.02 0.00 -1.53 0.00 0.00 36.38 33.30 2pdt s VAL 67 CO 0.56 -0.83 0.34 -0.90 -3.33 0.00 0.00 175.10 170.93 2pdt n ASP 68 N 0.60 -0.87 0.00 3.54 5.68 -1.26 -4.96 116.55 119.28 2pdt n ASP 68 Ca -0.17 -3.19 0.08 0.00 -0.50 0.00 0.00 54.79 51.01 2pdt n ASP 68 Cb 0.59 1.91 0.43 0.00 -1.14 0.00 0.00 41.12 42.91 2pdt n ASP 68 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2pdt n THR 69 N -0.64 0.22 1.47 2.12 -2.24 -1.26 -3.18 114.28 110.77 2pdt n THR 69 Ca 0.06 0.05 0.14 0.00 -2.27 0.00 0.00 64.05 62.04 2pdt n THR 69 Cb 0.62 -0.81 0.61 0.00 -2.10 0.00 0.00 70.33 68.65 2pdt n THR 69 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2pdt n SER 70 N -1.11 0.62 -4.85 3.42 3.41 -1.26 -4.79 113.62 109.06 2pdt n SER 70 Ca 0.10 -0.79 -0.24 0.00 -0.26 0.00 0.00 58.87 57.68 2pdt n SER 70 Cb 0.08 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 63.96 2pdt n SER 70 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pdt s ALA 72 N -2.63 3.37 0.12 0.00 0.00 -1.26 -4.58 121.76 116.79 2pdt s ALA 72 Ca 0.40 0.63 -0.15 0.00 0.00 0.00 0.00 51.96 52.84 2pdt s ALA 72 Cb -0.01 -3.82 0.03 0.00 0.00 0.00 0.00 23.12 19.32 2pdt s ALA 72 CO 0.24 -1.78 0.39 -0.48 0.00 0.00 0.00 175.76 174.12 2pdt s LEU 73 N 4.90 0.47 0.05 0.00 0.05 -1.26 -1.62 118.68 121.28 2pdt s LEU 73 Ca 0.73 -0.35 -0.14 0.00 0.05 0.00 0.00 54.13 54.41 2pdt s LEU 73 Cb -0.28 1.78 0.02 0.00 -2.05 0.00 0.00 46.19 45.67 2pdt s LEU 73 CO 0.29 -0.85 0.32 0.27 -0.55 0.00 0.00 176.35 175.83 2pdt s ILE 74 N -3.81 0.08 -0.13 1.48 -4.36 -0.29 -1.63 121.20 112.54 2pdt s ILE 74 Ca 0.03 -0.66 0.03 0.00 -0.26 0.00 0.00 60.65 59.79 2pdt s ILE 74 Cb 0.02 -0.95 0.01 0.00 1.25 0.00 0.00 42.46 42.79 2pdt s ILE 74 CO -0.12 -0.36 -0.22 -0.22 0.24 0.00 0.00 174.94 174.26 2pdt s LEU 75 N -2.09 2.09 0.08 0.37 2.96 -0.23 0.38 118.68 122.24 2pdt s LEU 75 Ca -0.05 -0.59 0.08 0.00 -0.22 0.00 0.00 54.13 53.35 2pdt s LEU 75 Cb -0.01 -1.42 -0.04 0.00 0.50 0.00 0.00 46.19 45.22 2pdt s LEU 75 CO -0.04 0.10 -0.16 0.00 -1.32 0.00 0.00 176.35 174.93 2pdt s ASP 77 N -1.85 6.46 0.15 0.00 -1.08 0.13 -2.32 116.67 118.17 2pdt s ASP 77 Ca 0.17 0.32 0.26 0.00 -0.52 0.00 0.00 52.55 52.78 2pdt s ASP 77 Cb -0.11 -2.32 0.94 0.00 -1.46 0.00 0.00 42.92 39.97 2pdt s ASP 77 CO 0.09 -0.50 1.78 0.18 0.52 0.00 0.00 175.17 177.24 2pdt n LEU 78 N 5.91 0.52 -0.27 -1.34 4.77 0.02 -3.25 117.00 123.36 2pdt n LEU 78 Ca -0.01 0.56 0.11 0.00 -0.03 0.00 0.00 56.01 56.64 2pdt n LEU 78 Cb 0.49 -0.42 0.09 0.00 -2.33 0.00 0.00 43.42 41.25 2pdt n LEU 78 CO 0.46 -0.20 0.32 0.29 -1.33 0.00 0.00 177.39 176.94 2pdt n LYS 79 N -2.00 0.71 -4.00 3.23 4.01 -1.25 -4.84 118.16 114.01 2pdt n LYS 79 Ca 0.05 -0.54 -0.28 0.00 -0.51 0.00 0.00 58.31 57.03 2pdt n LYS 79 Cb 0.36 -1.49 -0.05 0.00 -0.51 0.00 0.00 35.03 33.34 2pdt n LYS 79 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 2pdt s GLN 80 N -2.66 3.16 -0.14 1.97 -0.21 -1.20 -5.04 119.66 115.54 2pdt s GLN 80 Ca 0.17 -0.66 -0.34 0.00 0.02 0.00 0.00 55.36 54.54 2pdt s GLN 80 Cb 0.18 -2.84 -0.12 0.00 1.00 0.00 0.00 33.01 31.24 2pdt s GLN 80 CO 0.64 0.54 1.92 1.17 -2.12 0.00 0.00 175.29 177.45 2pdt n LYS 81 N -0.08 1.98 -1.56 2.91 4.81 -1.26 -2.37 118.16 122.60 2pdt n LYS 81 Ca -0.07 0.71 -0.05 0.00 -0.87 0.00 0.00 58.31 58.03 2pdt n LYS 81 Cb 0.53 -2.62 -0.01 0.00 0.02 0.00 0.00 35.03 32.95 2pdt n LYS 81 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2pdt n ASP 82 N 7.16 -2.90 -3.74 3.14 2.03 -1.26 -4.35 116.55 116.64 2pdt n ASP 82 Ca 0.25 0.06 -0.28 0.00 0.52 0.00 0.00 54.79 55.34 2pdt n ASP 82 Cb 0.28 -1.47 0.01 0.00 -0.72 0.00 0.00 41.12 39.23 2pdt n ASP 82 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2pdt n THR 83 N -3.37 -4.68 -2.31 5.18 -1.04 -1.00 -4.52 114.28 102.54 2pdt n THR 83 Ca -0.05 -0.39 -0.34 0.00 -2.04 0.00 0.00 64.05 61.22 2pdt n THR 83 Cb 0.33 -3.64 -0.01 0.00 -1.82 0.00 0.00 70.33 65.19 2pdt n THR 83 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2pdt s PRO 84 N -5.50 3.50 -0.09 -2.82 0.04 -1.24 -4.58 135.00 124.31 2pdt s PRO 84 Ca 0.22 1.42 -0.30 0.00 0.04 0.00 0.00 61.00 62.39 2pdt s PRO 84 Cb -0.10 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 2pdt s PRO 84 CO 0.89 -0.69 1.20 0.42 0.04 0.00 0.00 177.00 178.85 2pdt s ILE 85 N -2.01 4.31 -0.85 0.56 1.01 -0.91 -0.69 121.20 122.63 2pdt s ILE 85 Ca 0.69 1.62 0.08 0.00 0.00 0.00 0.00 60.65 63.04 2pdt s ILE 85 Cb -0.19 -4.04 0.14 0.00 0.01 0.00 0.00 42.46 38.37 2pdt s ILE 85 CO 0.26 -0.04 0.95 1.33 0.00 0.00 0.00 174.94 177.44 2pdt n VAL 86 N 4.83 0.46 -3.65 2.92 0.24 0.10 -1.48 118.33 121.76 2pdt n VAL 86 Ca 0.12 -0.73 -0.02 0.00 -2.04 0.00 0.00 64.34 61.66 2pdt n VAL 86 Cb 0.46 0.86 -0.07 0.00 -1.47 0.00 0.00 33.84 33.63 2pdt n VAL 86 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2pdt s TYR 87 N -0.82 -0.41 -0.04 6.34 6.14 -1.11 -4.94 117.35 122.52 2pdt s TYR 87 Ca 0.13 0.84 0.02 0.00 0.64 0.00 0.00 57.07 58.70 2pdt s TYR 87 Cb 0.08 0.29 0.01 0.00 0.42 0.00 0.00 41.96 42.76 2pdt s TYR 87 CO 0.11 -0.20 -0.07 0.00 0.64 0.00 0.00 175.55 176.02 2pdt s ALA 88 N 1.01 0.82 0.46 3.97 0.00 -1.26 -1.06 121.76 125.70 2pdt s ALA 88 Ca -0.06 -0.22 -0.20 0.00 0.00 0.00 0.00 51.96 51.48 2pdt s ALA 88 Cb -0.04 -0.39 -0.10 0.00 0.00 0.00 0.00 23.12 22.60 2pdt s ALA 88 CO -0.13 0.08 0.97 -1.54 0.00 0.00 0.00 175.76 175.14 2pdt s SER 89 N 0.55 6.79 0.28 0.00 1.04 -0.64 -4.86 113.70 116.86 2pdt s SER 89 Ca -0.08 1.69 0.03 0.00 0.48 0.00 0.00 55.95 58.07 2pdt s SER 89 Cb -0.12 -2.54 0.67 0.00 0.10 0.00 0.00 66.02 64.14 2pdt s SER 89 CO 0.01 -0.47 1.72 -0.33 0.98 0.00 0.00 173.24 175.16 2pdt h GLU 90 N 1.64 0.48 -0.16 4.02 5.08 -1.89 0.55 114.58 124.30 2pdt h GLU 90 Ca -0.49 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 57.86 2pdt h GLU 90 Cb 1.19 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 2pdt h GLU 90 CO 0.61 0.32 0.11 0.00 -1.00 0.00 0.00 179.01 179.05 2pdt h ALA 91 N 1.66 1.97 0.33 3.43 0.00 -1.86 0.01 119.26 124.79 2pdt h ALA 91 Ca 0.53 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.42 2pdt h ALA 91 Cb 0.93 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2pdt h ALA 91 CO -0.46 0.01 -0.16 0.35 0.00 0.00 0.00 179.25 178.99 2pdt h PHE 92 N 0.15 -0.41 -0.84 0.00 3.57 -0.18 -0.05 116.94 119.17 2pdt h PHE 92 Ca 0.07 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 61.75 2pdt h PHE 92 Cb 0.08 0.13 -0.12 0.00 2.79 0.00 0.00 35.95 38.84 2pdt h PHE 92 CO -0.00 -0.13 0.32 -0.07 -2.23 0.00 0.00 178.31 176.20 2pdt h LEU 93 N -1.03 0.22 0.39 0.59 3.38 -1.10 0.77 115.31 118.53 2pdt h LEU 93 Ca -0.04 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2pdt h LEU 93 Cb 0.47 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2pdt h LEU 93 CO 0.07 -0.01 -0.19 0.22 0.09 0.00 0.00 178.44 178.63 2pdt h TYR 94 N 0.36 -0.48 -0.99 1.13 3.20 -1.02 0.15 116.97 119.32 2pdt h TYR 94 Ca 0.51 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.53 2pdt h TYR 94 Cb 0.93 0.16 -0.10 0.00 1.54 0.00 0.00 36.73 39.26 2pdt h TYR 94 CO -0.18 -0.15 0.60 1.98 -1.64 0.00 0.00 178.16 178.76 2pdt h MET 95 N -0.88 0.79 0.00 1.82 4.05 -0.10 -2.37 114.93 118.23 2pdt h MET 95 Ca -0.05 -0.05 -0.24 0.00 -0.28 0.00 0.00 59.70 59.08 2pdt h MET 95 Cb 0.55 -0.18 -0.04 0.00 -0.80 0.00 0.00 31.60 31.13 2pdt h MET 95 CO 0.09 0.52 -1.34 1.79 0.23 0.00 0.00 176.91 178.20 2pdt h THR 96 N 0.81 1.21 0.00 -0.77 1.35 -0.90 -3.46 112.91 111.16 2pdt h THR 96 Ca 0.55 -2.97 0.00 0.00 -0.55 0.00 0.00 66.41 63.44 2pdt h THR 96 Cb 0.77 2.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.78 2pdt h THR 96 CO -0.35 0.69 0.00 0.61 -0.25 0.00 0.00 175.52 176.22 2pdt n GLY 97 N 1.45 0.51 3.94 5.82 0.00 0.52 -0.04 105.19 117.38 2pdt n GLY 97 Ca -0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 2pdt n GLY 97 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pdt s TYR 98 N -2.21 3.48 0.90 1.61 1.51 -1.07 -4.65 117.35 116.93 2pdt s TYR 98 Ca 0.00 0.25 -0.13 0.00 -1.01 0.00 0.00 57.07 56.18 2pdt s TYR 98 Cb 0.00 -1.78 0.17 0.00 -0.11 0.00 0.00 41.96 40.24 2pdt s TYR 98 CO 0.00 0.36 1.24 -1.54 -1.11 0.00 0.00 175.55 174.50 2pdt s SER 99 N -3.48 3.51 0.10 2.29 1.04 -1.26 -4.55 113.70 111.34 2pdt s SER 99 Ca 0.37 0.21 -0.16 0.00 0.48 0.00 0.00 55.95 56.86 2pdt s SER 99 Cb -0.10 -0.38 -0.07 0.00 0.10 0.00 0.00 66.02 65.57 2pdt s SER 99 CO 0.30 -2.47 1.46 -1.13 0.98 0.00 0.00 173.24 172.38 2pdt h ASN 100 N -1.37 0.67 0.06 7.02 -0.00 -1.98 -2.91 115.58 117.08 2pdt h ASN 100 Ca -0.43 -0.41 -0.01 0.00 -0.00 0.00 0.00 56.30 55.45 2pdt h ASN 100 Cb 1.25 -0.18 -0.00 0.00 -0.00 0.00 0.00 38.32 39.38 2pdt h ASN 100 CO 0.42 0.93 -0.04 0.00 -0.00 0.00 0.00 177.43 178.74 2pdt h ALA 101 N 0.75 1.77 0.00 1.57 0.00 -1.94 -2.33 119.26 119.09 2pdt h ALA 101 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2pdt h ALA 101 Cb 0.69 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2pdt h ALA 101 CO 0.05 0.05 -0.04 0.39 0.00 0.00 0.00 179.25 179.70 2pdt n GLU 102 N -4.26 0.15 -0.05 0.00 1.02 -1.10 -4.31 120.64 112.10 2pdt n GLU 102 Ca -0.03 0.12 -0.07 0.00 -0.02 0.00 0.00 57.16 57.16 2pdt n GLU 102 Cb 0.13 -1.67 -0.05 0.00 -0.02 0.00 0.00 31.44 29.83 2pdt n GLU 102 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2pdt n VAL 103 N -1.92 0.58 -1.69 2.62 0.24 -0.92 -4.93 118.33 112.31 2pdt n VAL 103 Ca 0.06 -0.24 -0.44 0.00 -2.04 0.00 0.00 64.34 61.69 2pdt n VAL 103 Cb 0.39 -0.85 -0.02 0.00 -1.47 0.00 0.00 33.84 31.89 2pdt n VAL 103 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2pdt n LEU 104 N -2.75 3.35 0.00 1.34 4.32 -0.96 -2.34 117.00 119.96 2pdt n LEU 104 Ca -0.18 1.17 0.00 0.00 -0.02 0.00 0.00 56.01 56.98 2pdt n LEU 104 Cb 0.70 -1.46 0.00 0.00 -1.62 0.00 0.00 43.42 41.04 2pdt n LEU 104 CO 0.11 -0.44 0.00 0.61 -1.22 0.00 0.00 177.39 176.45 2pdt n GLY 105 N 1.68 3.09 3.90 -0.72 0.00 -0.55 -4.96 105.19 107.64 2pdt n GLY 105 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 2pdt n GLY 105 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pdt s ARG 106 N -0.33 3.22 0.50 1.61 3.00 -0.99 -4.66 118.95 121.31 2pdt s ARG 106 Ca 0.00 -0.83 -0.21 0.00 0.00 0.00 0.00 55.73 54.70 2pdt s ARG 106 Cb 0.00 -2.78 -0.07 0.00 0.00 0.00 0.00 34.95 32.10 2pdt s ARG 106 CO 0.00 0.45 1.10 1.21 0.00 0.00 0.00 175.30 178.06 2pdt s ASN 107 N -3.68 6.07 0.00 0.23 3.84 -1.26 -2.14 114.94 117.99 2pdt s ASN 107 Ca 0.33 2.11 0.19 0.00 0.21 0.00 0.00 52.86 55.70 2pdt s ASN 107 Cb -0.09 -2.58 1.15 0.00 -0.55 0.00 0.00 41.25 39.18 2pdt s ASN 107 CO 0.27 -0.98 1.58 0.00 -2.79 0.00 0.00 177.10 175.19 2pdt h ARG 109 N 0.00 0.00 -0.05 0.00 0.11 -1.95 -2.94 114.38 109.55 2pdt h ARG 109 Ca 0.00 0.00 0.02 0.00 0.10 0.00 0.00 59.98 60.10 2pdt h ARG 109 Cb 0.00 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.08 2pdt h ARG 109 CO 0.00 0.00 0.04 0.27 0.10 0.00 0.00 179.97 180.38 2pdt h PHE 110 N 0.00 0.00 -0.14 4.08 -5.15 -1.85 -0.56 116.94 113.31 2pdt h PHE 110 Ca 0.00 0.00 0.04 0.00 -0.20 0.00 0.00 57.97 57.81 2pdt h PHE 110 Cb 0.33 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.50 2pdt h PHE 110 CO 0.00 0.00 0.18 -0.07 -2.00 0.00 0.00 178.31 176.42 2pdt h LEU 111 N 0.00 0.00 0.00 2.10 3.38 -1.83 -1.59 115.31 117.37 2pdt h LEU 111 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2pdt h LEU 111 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2pdt h LEU 111 CO -0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 2pdt n GLN 112 N -3.70 0.46 -4.12 1.13 6.02 -0.22 -0.21 117.38 116.74 2pdt n GLN 112 Ca 0.01 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.82 2pdt n GLN 112 Cb 0.29 -1.48 -0.16 0.00 1.02 0.00 0.00 30.24 29.92 2pdt n GLN 112 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2pdt s SER 113 N -1.98 0.70 0.00 1.08 0.15 -0.60 -4.68 113.70 108.37 2pdt s SER 113 Ca 0.21 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.76 2pdt s SER 113 Cb 0.10 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.16 2pdt s SER 113 CO 0.16 -0.01 0.39 -0.81 1.20 0.00 0.00 173.24 174.17 2pdt n PRO 114 N 3.60 0.38 0.00 5.44 -0.04 -1.26 -1.53 135.00 141.59 2pdt n PRO 114 Ca -0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 2pdt n PRO 114 Cb 0.54 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 2pdt n PRO 114 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2pdt n ASP 115 N 0.84 0.00 -1.21 3.54 3.85 -1.26 -4.69 116.55 117.62 2pdt n ASP 115 Ca 0.00 -0.98 -0.16 0.00 -0.71 0.00 0.00 54.79 52.94 2pdt n ASP 115 Cb 0.19 0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 39.89 2pdt n ASP 115 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2pdt n GLY 116 N 0.00 1.57 3.07 6.12 0.00 -0.58 -4.96 105.19 110.41 2pdt n GLY 116 Ca 0.00 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 2pdt n GLY 116 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2pdt s MET 117 N -3.31 1.97 -0.20 1.61 1.00 -1.26 -4.85 119.30 114.25 2pdt s MET 117 Ca 0.00 -2.07 -0.04 0.00 0.00 0.00 0.00 55.69 53.58 2pdt s MET 117 Cb 0.00 -3.48 0.10 0.00 0.00 0.00 0.00 34.83 31.45 2pdt s MET 117 CO 0.00 -1.06 0.25 0.54 0.00 0.00 0.00 175.02 174.75 2pdt s VAL 118 N 0.67 -0.38 0.38 -6.03 0.11 -1.26 -4.86 120.40 109.02 2pdt s VAL 118 Ca 0.12 -0.07 -0.22 0.00 -2.93 0.00 0.00 61.98 58.88 2pdt s VAL 118 Cb -0.22 -0.68 -0.10 0.00 -1.53 0.00 0.00 36.38 33.85 2pdt s VAL 118 CO -0.04 -0.16 0.92 -1.59 -3.33 0.00 0.00 175.10 170.90 2pdt s LYS 119 N 2.38 4.34 0.66 1.54 0.00 -1.26 -4.74 119.74 122.65 2pdt s LYS 119 Ca 0.07 1.15 -0.18 0.00 0.00 0.00 0.00 55.97 57.02 2pdt s LYS 119 Cb -0.15 -2.45 -0.01 0.00 0.00 0.00 0.00 37.83 35.23 2pdt s LYS 119 CO -0.12 0.11 1.28 -2.14 0.00 0.00 0.00 175.35 174.48 2pdt s PRO 120 N -2.72 2.51 0.00 1.78 0.02 -1.26 -2.91 135.00 132.43 2pdt s PRO 120 Ca 0.56 2.02 0.00 0.00 0.02 0.00 0.00 61.00 63.60 2pdt s PRO 120 Cb -0.13 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.55 2pdt s PRO 120 CO 0.17 -1.61 0.00 1.63 -0.33 0.00 0.00 177.00 176.86 2pdt n LYS 121 N -2.00 0.00 -2.23 5.54 4.76 -1.26 -4.96 118.16 118.01 2pdt n LYS 121 Ca 0.15 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.22 2pdt n LYS 121 Cb 0.48 -1.98 -0.01 0.00 -1.84 0.00 0.00 35.03 31.69 2pdt n LYS 121 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2pdt s SER 122 N -1.12 6.28 -0.43 4.39 1.04 -1.15 -4.96 113.70 117.76 2pdt s SER 122 Ca 0.00 2.37 -0.29 0.00 0.48 0.00 0.00 55.95 58.52 2pdt s SER 122 Cb 0.00 -2.61 0.01 0.00 0.10 0.00 0.00 66.02 63.52 2pdt s SER 122 CO 0.00 -0.84 1.38 -0.89 0.98 0.00 0.00 173.24 173.87 2pdt s THR 123 N -1.46 3.93 0.37 2.02 2.01 -1.26 -4.98 115.64 116.28 2pdt s THR 123 Ca 0.61 0.95 -0.28 0.00 0.31 0.00 0.00 61.69 63.27 2pdt s THR 123 Cb -0.31 -4.26 -0.11 0.00 0.01 0.00 0.00 72.50 67.83 2pdt s THR 123 CO 0.38 -0.81 1.44 -0.13 -0.69 0.00 0.00 174.62 174.81 2pdt s ARG 124 N 4.91 4.12 0.27 4.92 3.00 -1.26 -4.93 118.95 129.99 2pdt s ARG 124 Ca 0.59 2.48 0.22 0.00 0.00 0.00 0.00 55.73 59.02 2pdt s ARG 124 Cb -0.13 -2.96 0.10 0.00 0.00 0.00 0.00 34.95 31.96 2pdt s ARG 124 CO 0.32 -0.48 1.22 1.57 0.00 0.00 0.00 175.30 177.93 2pdt h LYS 125 N 3.02 0.00 -0.00 3.54 -0.00 -1.93 -3.37 116.57 117.82 2pdt h LYS 125 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.15 2pdt h LYS 125 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.47 2pdt h LYS 125 CO 0.64 0.04 -0.27 0.66 -0.00 0.00 0.00 179.45 180.52 2pdt n TYR 126 N -2.84 0.00 -5.14 0.07 4.01 -1.26 -4.99 117.16 107.00 2pdt n TYR 126 Ca 0.01 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.45 2pdt n TYR 126 Cb 0.57 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.44 2pdt n TYR 126 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2pdt s VAL 127 N -1.48 1.85 0.17 -0.72 1.01 -1.26 -4.72 120.40 115.25 2pdt s VAL 127 Ca 0.06 -0.97 -0.32 0.00 0.00 0.00 0.00 61.98 60.75 2pdt s VAL 127 Cb 0.07 -1.56 -0.10 0.00 0.00 0.00 0.00 36.38 34.78 2pdt s VAL 127 CO 0.27 0.52 1.59 -0.62 0.00 0.00 0.00 175.10 176.87 2pdt s ASP 128 N -0.23 6.55 0.36 3.32 -1.08 -1.26 -4.57 116.67 119.75 2pdt s ASP 128 Ca 0.00 2.66 0.06 0.00 -0.52 0.00 0.00 52.55 54.75 2pdt s ASP 128 Cb -0.12 -2.59 0.74 0.00 -1.46 0.00 0.00 42.92 39.49 2pdt s ASP 128 CO 0.02 -0.85 1.95 0.28 0.52 0.00 0.00 175.17 177.09 2pdt h SER 129 N 6.81 0.67 -0.37 -0.34 0.02 -1.99 -1.87 113.55 116.48 2pdt h SER 129 Ca -0.43 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.43 2pdt h SER 129 Cb 1.20 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.59 2pdt h SER 129 CO 0.92 0.43 -0.11 -1.13 -1.14 0.00 0.00 176.83 175.80 2pdt h ASN 130 N 0.76 0.80 -0.25 3.07 -1.24 -1.99 0.01 115.58 116.75 2pdt h ASN 130 Ca 0.33 -0.24 -0.07 0.00 0.71 0.00 0.00 56.30 57.02 2pdt h ASN 130 Cb 0.30 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.13 2pdt h ASN 130 CO -0.11 0.93 -0.12 0.74 -1.29 0.00 0.00 177.43 177.58 2pdt h THR 131 N 0.73 1.30 -0.42 -3.57 2.02 -1.81 -0.18 112.91 110.99 2pdt h THR 131 Ca 0.12 -1.20 -0.03 0.00 0.77 0.00 0.00 66.41 66.07 2pdt h THR 131 Cb 0.60 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 2pdt h THR 131 CO 0.04 0.38 0.12 0.40 0.37 0.00 0.00 175.52 176.83 2pdt h ILE 132 N 0.25 1.18 -0.05 3.11 2.04 -1.19 -1.50 117.51 121.35 2pdt h ILE 132 Ca 0.06 -0.61 -0.22 0.00 1.00 0.00 0.00 64.86 65.08 2pdt h ILE 132 Cb 0.63 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 2pdt h ILE 132 CO 0.04 0.23 -0.86 0.78 0.00 0.00 0.00 178.15 178.33 2pdt h ASN 133 N 0.60 0.67 -0.62 1.72 4.21 -0.81 -2.12 115.58 119.23 2pdt h ASN 133 Ca 0.14 -0.48 0.03 0.00 1.21 0.00 0.00 56.30 57.20 2pdt h ASN 133 Cb 0.20 -0.20 -0.04 0.00 -1.12 0.00 0.00 38.32 37.16 2pdt h ASN 133 CO -0.01 1.27 0.38 0.74 -1.29 0.00 0.00 177.43 178.52 2pdt h THR 134 N 0.34 1.07 -0.30 2.81 2.02 -0.40 -0.52 112.91 117.93 2pdt h THR 134 Ca -0.07 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 2pdt h THR 134 Cb 1.48 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 2pdt h THR 134 CO 0.16 0.14 0.09 0.24 0.37 0.00 0.00 175.52 176.51 2pdt h MET 135 N 0.74 0.47 -0.50 6.66 2.86 -1.25 -1.81 114.93 122.10 2pdt h MET 135 Ca 0.25 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2pdt h MET 135 Cb 0.03 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 2pdt h MET 135 CO -0.11 0.53 0.31 -0.09 1.06 0.00 0.00 176.91 178.61 2pdt h ARG 136 N 0.32 0.67 -0.19 1.72 2.43 -1.00 -0.47 114.38 117.85 2pdt h ARG 136 Ca 0.10 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.09 2pdt h ARG 136 Cb 0.26 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2pdt h ARG 136 CO -0.00 0.47 -0.41 0.87 -1.51 0.00 0.00 179.97 179.38 2pdt h LYS 137 N 0.67 0.45 -0.36 0.20 1.57 -1.06 -1.34 116.57 116.69 2pdt h LYS 137 Ca 0.18 -0.22 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 2pdt h LYS 137 Cb -0.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2pdt h LYS 137 CO -0.04 0.78 -0.17 0.00 -0.57 0.00 0.00 179.45 179.45 2pdt h ALA 138 N 1.19 0.50 -0.32 3.86 0.00 -0.98 -0.17 119.26 123.34 2pdt h ALA 138 Ca 0.03 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 2pdt h ALA 138 Cb 0.88 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2pdt h ALA 138 CO 0.07 0.43 -0.33 0.82 0.00 0.00 0.00 179.25 180.25 2pdt h ILE 139 N 0.54 1.28 -0.18 0.00 2.04 -1.01 0.16 117.51 120.34 2pdt h ILE 139 Ca 0.08 -1.48 -0.15 0.00 1.00 0.00 0.00 64.86 64.32 2pdt h ILE 139 Cb 0.72 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 2pdt h ILE 139 CO 0.05 0.48 -0.50 -0.78 0.00 0.00 0.00 178.15 177.40 2pdt h ASP 140 N 0.60 0.53 0.39 1.72 1.82 -1.14 -2.97 116.42 117.38 2pdt h ASP 140 Ca 0.06 -0.27 0.00 0.00 -0.39 0.00 0.00 57.03 56.44 2pdt h ASP 140 Cb 0.85 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.71 2pdt h ASP 140 CO 0.07 0.94 -0.20 0.54 -1.61 0.00 0.00 179.24 178.99 2pdt n ARG 141 N -3.97 0.59 -3.52 0.28 1.74 -0.08 -4.93 116.66 106.76 2pdt n ARG 141 Ca -0.02 -0.26 -0.21 0.00 -0.77 0.00 0.00 57.85 56.58 2pdt n ARG 141 Cb 0.57 -1.49 0.08 0.00 -1.02 0.00 0.00 32.46 30.60 2pdt n ARG 141 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2pdt n ASN 142 N -0.98 -4.64 -4.42 0.55 3.02 -0.17 -5.00 115.26 103.62 2pdt n ASN 142 Ca 0.12 -0.56 -0.32 0.00 -0.03 0.00 0.00 54.58 53.78 2pdt n ASN 142 Cb 0.31 -5.01 -0.14 0.00 -0.61 0.00 0.00 39.78 34.33 2pdt n ASN 142 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pdt s ALA 143 N -3.33 2.55 0.56 5.41 0.00 0.38 -4.80 121.76 122.53 2pdt s ALA 143 Ca 0.35 -0.99 -0.21 0.00 0.00 0.00 0.00 51.96 51.11 2pdt s ALA 143 Cb -0.15 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 2pdt s ALA 143 CO 0.72 0.50 1.30 -1.21 0.00 0.00 0.00 175.76 177.07 2pdt s GLU 144 N -0.52 3.12 0.04 0.00 2.02 -1.26 -4.48 118.70 117.61 2pdt s GLU 144 Ca 0.07 2.09 -0.18 0.00 0.02 0.00 0.00 54.97 56.97 2pdt s GLU 144 Cb -0.12 -2.17 0.04 0.00 0.10 0.00 0.00 34.13 31.98 2pdt s GLU 144 CO 0.01 -1.16 0.42 0.54 0.02 0.00 0.00 175.26 175.08 2pdt s VAL 145 N -1.39 0.05 -0.02 2.63 0.11 -0.82 -4.95 120.40 116.01 2pdt s VAL 145 Ca 0.73 -0.44 -0.00 0.00 -2.93 0.00 0.00 61.98 59.33 2pdt s VAL 145 Cb -0.37 -0.94 0.03 0.00 -1.53 0.00 0.00 36.38 33.57 2pdt s VAL 145 CO 0.43 -0.24 0.04 -1.58 -3.33 0.00 0.00 175.10 170.42 2pdt s GLN 146 N -2.39 -0.02 0.31 1.54 0.74 -1.26 -0.76 119.66 117.81 2pdt s GLN 146 Ca -0.06 0.21 -0.06 0.00 0.05 0.00 0.00 55.36 55.50 2pdt s GLN 146 Cb -0.01 -0.24 -0.00 0.00 1.10 0.00 0.00 33.01 33.86 2pdt s GLN 146 CO -0.02 -0.17 0.46 0.14 -0.55 0.00 0.00 175.29 175.16 2pdt s VAL 147 N 1.06 0.00 -0.19 1.34 -7.23 0.66 -5.01 120.40 111.03 2pdt s VAL 147 Ca -0.09 -1.55 0.01 0.00 -1.81 0.00 0.00 61.98 58.54 2pdt s VAL 147 Cb -0.13 -2.51 0.04 0.00 0.56 0.00 0.00 36.38 34.34 2pdt s VAL 147 CO -0.03 0.00 -0.12 -1.61 -0.31 0.00 0.00 175.10 173.03 2pdt s GLU 148 N -3.39 2.15 0.01 4.82 2.02 -1.26 0.03 118.70 123.07 2pdt s GLU 148 Ca 0.28 -0.79 0.06 0.00 0.02 0.00 0.00 54.97 54.53 2pdt s GLU 148 Cb -0.00 -2.37 -0.02 0.00 0.10 0.00 0.00 34.13 31.84 2pdt s GLU 148 CO 0.16 -0.38 -0.18 0.54 0.02 0.00 0.00 175.26 175.42 2pdt s VAL 149 N 1.40 1.41 0.01 2.63 0.11 -0.68 -4.93 120.40 120.36 2pdt s VAL 149 Ca 0.00 -0.87 -0.30 0.00 -2.93 0.00 0.00 61.98 57.88 2pdt s VAL 149 Cb -0.15 -1.19 -0.04 0.00 -1.53 0.00 0.00 36.38 33.46 2pdt s VAL 149 CO -0.09 0.30 1.06 -0.69 -3.33 0.00 0.00 175.10 172.35 2pdt s VAL 150 N -0.55 4.58 0.38 2.04 1.01 -1.26 -0.71 120.40 125.89 2pdt s VAL 150 Ca 0.06 1.85 0.04 0.00 0.00 0.00 0.00 61.98 63.93 2pdt s VAL 150 Cb -0.07 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 2pdt s VAL 150 CO 0.00 0.13 0.11 0.20 0.00 0.00 0.00 175.10 175.55 2pdt s ASN 151 N 1.04 2.59 -0.06 3.32 0.02 -0.84 -4.56 114.94 116.45 2pdt s ASN 151 Ca 0.54 -1.59 -0.03 0.00 -1.02 0.00 0.00 52.86 50.76 2pdt s ASN 151 Cb -0.24 0.36 0.04 0.00 0.02 0.00 0.00 41.25 41.43 2pdt s ASN 151 CO 0.28 -0.85 0.14 -0.36 0.02 0.00 0.00 177.10 176.33 2pdt s PHE 152 N -3.27 -0.15 1.23 2.20 0.08 0.71 -2.34 117.98 116.44 2pdt s PHE 152 Ca 0.27 0.47 -0.17 0.00 0.12 0.00 0.00 56.93 57.63 2pdt s PHE 152 Cb 0.04 -0.10 0.30 0.00 -0.57 0.00 0.00 43.02 42.69 2pdt s PHE 152 CO 0.15 -0.17 1.02 0.15 -0.10 0.00 0.00 175.22 176.27 2pdt s LYS 153 N 1.23 -1.43 0.19 0.44 1.02 -1.06 -4.78 119.74 115.35 2pdt s LYS 153 Ca -0.09 0.44 -0.12 0.00 0.02 0.00 0.00 55.97 56.23 2pdt s LYS 153 Cb -0.12 -1.53 0.14 0.00 -0.52 0.00 0.00 37.83 35.81 2pdt s LYS 153 CO -0.06 -3.96 1.84 -0.22 -0.92 0.00 0.00 175.35 172.03 2pdt h LYS 154 N -2.78 0.75 -0.19 1.68 3.64 -0.72 -0.07 116.57 118.88 2pdt h LYS 154 Ca -0.54 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 58.85 2pdt h LYS 154 Cb 1.33 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 2pdt h LYS 154 CO 0.43 0.50 0.17 -2.95 -2.27 0.00 0.00 179.45 175.33 2pdt h ASN 155 N 0.77 0.00 0.00 4.20 -0.00 -1.89 -3.46 115.58 115.20 2pdt h ASN 155 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.54 2pdt h ASN 155 Cb -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.31 2pdt h ASN 155 CO -0.09 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 177.95 2pdt n GLY 156 N -1.48 0.75 3.66 9.14 0.00 -0.04 -5.06 105.19 112.15 2pdt n GLY 156 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2pdt n GLY 156 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2pdt s GLN 157 N -0.57 4.13 0.22 1.61 0.74 -1.26 -4.68 119.66 119.85 2pdt s GLN 157 Ca 0.00 2.21 -0.30 0.00 0.05 0.00 0.00 55.36 57.33 2pdt s GLN 157 Cb 0.00 -4.02 -0.09 0.00 1.10 0.00 0.00 33.01 29.99 2pdt s GLN 157 CO 0.00 -0.92 1.31 0.50 -0.55 0.00 0.00 175.29 175.63 2pdt s ARG 158 N 4.19 4.39 -0.13 1.67 3.52 -1.26 -2.56 118.95 128.77 2pdt s ARG 158 Ca 0.76 2.08 -0.14 0.00 -0.13 0.00 0.00 55.73 58.30 2pdt s ARG 158 Cb -0.34 -3.17 0.04 0.00 -1.56 0.00 0.00 34.95 29.91 2pdt s ARG 158 CO 0.31 -0.23 0.39 -0.59 -0.81 0.00 0.00 175.30 174.37 2pdt s PHE 159 N -0.11 -0.42 0.26 5.12 -0.71 -0.99 -5.00 117.98 116.14 2pdt s PHE 159 Ca 0.55 0.99 -0.29 0.00 -1.04 0.00 0.00 56.93 57.14 2pdt s PHE 159 Cb -0.37 0.15 -0.09 0.00 -1.21 0.00 0.00 43.02 41.50 2pdt s PHE 159 CO 0.40 -0.23 0.99 0.08 -1.34 0.00 0.00 175.22 175.12 2pdt s VAL 160 N 0.04 3.89 -0.29 -2.49 1.01 -1.26 -1.99 120.40 119.30 2pdt s VAL 160 Ca -0.01 1.86 -0.00 0.00 0.00 0.00 0.00 61.98 63.82 2pdt s VAL 160 Cb -0.03 -4.16 0.06 0.00 0.00 0.00 0.00 36.38 32.24 2pdt s VAL 160 CO 0.01 0.41 -0.03 0.21 0.00 0.00 0.00 175.10 175.70 2pdt s ASN 161 N -1.14 4.76 -0.72 3.32 3.84 0.11 -4.42 114.94 120.69 2pdt s ASN 161 Ca 0.43 -1.37 -0.26 0.00 0.21 0.00 0.00 52.86 51.88 2pdt s ASN 161 Cb -0.27 -1.66 0.04 0.00 -0.55 0.00 0.00 41.25 38.81 2pdt s ASN 161 CO 0.34 -0.25 1.19 0.12 -2.79 0.00 0.00 177.10 175.71 2pdt s PHE 162 N 1.19 2.41 -0.16 0.43 2.19 -0.82 -1.68 117.98 121.53 2pdt s PHE 162 Ca -0.05 -0.23 -0.08 0.00 0.33 0.00 0.00 56.93 56.90 2pdt s PHE 162 Cb -0.20 -4.53 -0.04 0.00 -1.31 0.00 0.00 43.02 36.94 2pdt s PHE 162 CO -0.03 -1.94 0.13 -1.17 1.83 0.00 0.00 175.22 174.04 2pdt s LEU 163 N 5.20 4.26 -0.03 6.12 2.96 0.10 -2.79 118.68 134.51 2pdt s LEU 163 Ca 0.31 0.34 0.05 0.00 -0.22 0.00 0.00 54.13 54.61 2pdt s LEU 163 Cb -0.10 -2.07 -0.01 0.00 0.50 0.00 0.00 46.19 44.51 2pdt s LEU 163 CO 0.13 0.30 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.39 2pdt s THR 164 N -0.35 1.41 -0.01 3.68 2.01 -0.65 -0.25 115.64 121.48 2pdt s THR 164 Ca 0.11 -0.74 0.03 0.00 0.31 0.00 0.00 61.69 61.40 2pdt s THR 164 Cb -0.12 -1.19 -0.01 0.00 0.01 0.00 0.00 72.50 71.20 2pdt s THR 164 CO 0.01 0.40 -0.09 -0.04 -0.69 0.00 0.00 174.62 174.21 2pdt s MET 165 N -0.21 0.80 -0.07 4.92 -1.94 0.06 -0.55 119.30 122.31 2pdt s MET 165 Ca 0.02 -0.33 -0.03 0.00 -1.71 0.00 0.00 55.69 53.64 2pdt s MET 165 Cb -0.09 -0.77 0.04 0.00 2.01 0.00 0.00 34.83 36.02 2pdt s MET 165 CO 0.01 0.19 0.15 0.42 -0.01 0.00 0.00 175.02 175.77 2pdt s ILE 166 N -0.15 -0.18 0.62 2.53 1.01 -0.98 -1.94 121.20 122.11 2pdt s ILE 166 Ca 0.02 0.30 -0.19 0.00 0.00 0.00 0.00 60.65 60.79 2pdt s ILE 166 Cb -0.05 -0.26 -0.02 0.00 0.01 0.00 0.00 42.46 42.14 2pdt s ILE 166 CO -0.00 0.12 1.26 -2.16 0.00 0.00 0.00 174.94 174.16 2pdt s PRO 167 N 1.88 2.78 -0.02 2.79 0.04 -1.26 -1.37 135.00 139.84 2pdt s PRO 167 Ca -0.01 1.98 0.04 0.00 0.04 0.00 0.00 61.00 63.05 2pdt s PRO 167 Cb -0.12 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 2pdt s PRO 167 CO -0.06 -1.40 -0.13 0.08 0.04 0.00 0.00 177.00 175.53 2pdt s VAL 168 N -1.47 1.08 0.08 -0.36 1.01 0.25 -4.85 120.40 116.14 2pdt s VAL 168 Ca 0.80 -0.56 -0.12 0.00 0.00 0.00 0.00 61.98 62.09 2pdt s VAL 168 Cb -0.35 -0.92 -0.06 0.00 0.00 0.00 0.00 36.38 35.05 2pdt s VAL 168 CO 0.37 0.31 0.43 -0.13 0.00 0.00 0.00 175.10 176.09 2pdt s ARG 169 N -0.16 3.84 0.00 2.72 0.52 -1.26 -1.99 118.95 122.62 2pdt s ARG 169 Ca 0.02 0.30 0.00 0.00 -0.52 0.00 0.00 55.73 55.53 2pdt s ARG 169 Cb -0.07 -3.03 0.00 0.00 0.52 0.00 0.00 34.95 32.37 2pdt s ARG 169 CO 0.00 0.57 0.00 -0.40 0.02 0.00 0.00 175.30 175.49 2pdt n ASP 170 N 1.09 0.00 0.30 0.23 5.75 -1.13 -4.89 116.55 117.90 2pdt n ASP 170 Ca -0.09 -0.30 0.18 0.00 -0.01 0.00 0.00 54.79 54.58 2pdt n ASP 170 Cb 0.52 0.00 0.97 0.00 -1.03 0.00 0.00 41.12 41.58 2pdt n ASP 170 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2pdt h GLU 171 N 0.00 0.00 0.00 0.11 4.39 -1.98 -1.38 114.58 115.72 2pdt h GLU 171 Ca 0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 2pdt h GLU 171 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2pdt h GLU 171 CO 0.00 0.03 -0.19 1.15 -1.16 0.00 0.00 179.01 178.84 2pdt h THR 172 N 0.00 0.63 0.00 1.13 2.02 -2.02 -3.46 112.91 111.21 2pdt h THR 172 Ca -0.00 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.33 2pdt h THR 172 Cb 0.17 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 2pdt h THR 172 CO 0.00 0.19 0.00 0.61 0.37 0.00 0.00 175.52 176.69 2pdt n GLY 173 N -0.33 1.72 3.95 2.16 0.00 -0.52 -5.04 105.19 107.13 2pdt n GLY 173 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 2pdt n GLY 173 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pdt s GLU 174 N -0.63 3.46 -0.07 1.61 2.02 -1.26 -4.81 118.70 119.01 2pdt s GLU 174 Ca 0.00 -0.57 -0.29 0.00 0.02 0.00 0.00 54.97 54.13 2pdt s GLU 174 Cb 0.00 -2.84 -0.06 0.00 0.10 0.00 0.00 34.13 31.34 2pdt s GLU 174 CO 0.00 0.37 1.78 0.71 0.02 0.00 0.00 175.26 178.14 2pdt s TYR 175 N -2.01 1.73 0.00 1.61 2.02 -1.26 -2.83 117.35 116.61 2pdt s TYR 175 Ca 0.36 0.10 0.00 0.00 -0.37 0.00 0.00 57.07 57.17 2pdt s TYR 175 Cb -0.10 -4.02 0.00 0.00 -0.40 0.00 0.00 41.96 37.44 2pdt s TYR 175 CO 0.31 -4.19 0.00 -2.13 -1.57 0.00 0.00 175.55 167.97 2pdt n ARG 176 N 7.48 3.00 -4.39 -0.62 3.00 -0.84 -4.94 116.66 119.34 2pdt n ARG 176 Ca 0.19 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.85 2pdt n ARG 176 Cb 0.43 -0.97 -0.10 0.00 0.00 0.00 0.00 32.46 31.82 2pdt n ARG 176 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 2pdt s TYR 177 N -1.94 1.73 -0.03 -0.14 1.51 -1.03 -0.80 117.35 116.66 2pdt s TYR 177 Ca 0.00 -1.13 0.01 0.00 -1.01 0.00 0.00 57.07 54.94 2pdt s TYR 177 Cb 0.00 -1.07 0.01 0.00 -0.11 0.00 0.00 41.96 40.79 2pdt s TYR 177 CO 0.00 -0.22 -0.05 0.45 -1.11 0.00 0.00 175.55 174.61 2pdt s SER 178 N -3.42 0.86 -0.17 2.29 0.15 -0.98 0.84 113.70 113.27 2pdt s SER 178 Ca 0.35 -0.12 -0.04 0.00 0.70 0.00 0.00 55.95 56.84 2pdt s SER 178 Cb 0.07 -0.32 -0.03 0.00 -1.71 0.00 0.00 66.02 64.03 2pdt s SER 178 CO 0.15 -0.01 -0.02 -0.32 1.20 0.00 0.00 173.24 174.24 2pdt s MET 179 N 0.55 3.68 -0.16 5.44 1.75 -0.47 -1.45 119.30 128.65 2pdt s MET 179 Ca -0.07 -0.51 -0.08 0.00 -1.25 0.00 0.00 55.69 53.78 2pdt s MET 179 Cb -0.11 -2.97 -0.04 0.00 2.84 0.00 0.00 34.83 34.55 2pdt s MET 179 CO 0.00 0.20 0.11 0.20 -0.65 0.00 0.00 175.02 174.88 2pdt s GLY 180 N 0.49 2.05 -0.30 2.11 0.00 0.16 -2.31 107.32 109.52 2pdt s GLY 180 Ca -0.02 -0.69 0.01 0.00 0.00 0.00 0.00 44.72 44.01 2pdt s GLY 180 CO 0.02 -0.14 -0.02 -1.36 0.00 0.00 0.00 173.10 171.60 2pdt s PHE 181 N -0.29 3.34 -0.03 1.90 0.08 0.29 -1.14 117.98 122.12 2pdt s PHE 181 Ca 0.10 -2.22 -0.00 0.00 0.12 0.00 0.00 56.93 54.94 2pdt s PHE 181 Cb -0.12 -2.20 -0.04 0.00 -0.57 0.00 0.00 43.02 40.09 2pdt s PHE 181 CO 0.01 -0.86 0.02 -0.65 -0.10 0.00 0.00 175.22 173.64 2pdt s GLN 182 N 1.15 2.91 -0.05 0.44 1.11 -0.64 -1.64 119.66 122.93 2pdt s GLN 182 Ca -0.04 -0.52 -0.02 0.00 0.01 0.00 0.00 55.36 54.79 2pdt s GLN 182 Cb -0.20 -2.75 0.04 0.00 -1.01 0.00 0.00 33.01 29.09 2pdt s GLN 182 CO -0.04 0.66 0.09 0.00 0.01 0.00 0.00 175.29 176.01