#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pdt s LEU 39 N 0.00 4.39 -0.13 3.22 2.96 -1.26 -5.01 118.68 122.86 2pdt s LEU 39 Ca 0.00 0.48 -0.00 0.00 -0.22 0.00 0.00 54.13 54.38 2pdt s LEU 39 Cb 0.00 -2.12 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 2pdt s LEU 39 CO 0.00 0.40 -0.12 -0.31 -1.32 0.00 0.00 176.35 175.00 2pdt s TYR 40 N -1.05 2.83 -0.31 5.38 2.02 -1.26 -5.03 117.35 119.93 2pdt s TYR 40 Ca 0.16 -0.58 -0.39 0.00 -0.37 0.00 0.00 57.07 55.90 2pdt s TYR 40 Cb -0.12 -1.85 -0.14 0.00 -0.40 0.00 0.00 41.96 39.45 2pdt s TYR 40 CO 0.05 -0.17 1.93 0.00 -1.57 0.00 0.00 175.55 175.79 2pdt n ALA 41 N 3.45 0.31 -1.75 3.71 0.00 -1.26 -4.85 120.51 120.12 2pdt n ALA 41 Ca -0.18 0.23 -0.42 0.00 0.00 0.00 0.00 53.44 53.07 2pdt n ALA 41 Cb 0.53 -2.33 -0.02 0.00 0.00 0.00 0.00 19.45 17.62 2pdt n ALA 41 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2pdt s PRO 42 N 4.62 4.12 0.00 0.00 0.04 -1.26 -1.36 135.00 141.16 2pdt s PRO 42 Ca 1.03 2.59 0.00 0.00 0.04 0.00 0.00 61.00 64.67 2pdt s PRO 42 Cb -1.01 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 30.49 2pdt s PRO 42 CO 0.60 -0.67 0.00 0.41 0.04 0.00 0.00 177.00 177.38 2pdt n GLY 43 N 2.65 0.79 0.00 0.56 0.00 -1.26 -4.95 105.19 102.98 2pdt n GLY 43 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2pdt n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pdt n GLY 44 N -2.07 -1.04 3.67 -0.02 0.00 -0.46 -4.99 105.19 100.27 2pdt n GLY 44 Ca 0.00 -1.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.09 2pdt n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pdt s TYR 45 N -1.30 2.92 -1.50 1.61 1.51 -1.26 -4.86 117.35 114.47 2pdt s TYR 45 Ca 0.00 -0.08 -0.12 0.00 -1.01 0.00 0.00 57.07 55.86 2pdt s TYR 45 Cb 0.00 -1.48 0.01 0.00 -0.11 0.00 0.00 41.96 40.38 2pdt s TYR 45 CO 0.00 0.48 2.44 -3.47 -1.11 0.00 0.00 175.55 173.89 2pdt n ASP 46 N 0.37 5.56 -0.25 2.29 2.03 -1.26 -4.70 116.55 120.58 2pdt n ASP 46 Ca -0.11 -2.78 -0.02 0.00 0.52 0.00 0.00 54.79 52.40 2pdt n ASP 46 Cb 0.53 -1.61 0.10 0.00 -0.72 0.00 0.00 41.12 39.42 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 3.64 1.04 -0.43 5.18 1.08 -1.99 -0.29 117.51 125.74 2pdt h ILE 47 Ca 0.66 -0.28 -0.10 0.00 -0.39 0.00 0.00 64.86 64.75 2pdt h ILE 47 Cb 0.52 0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 34.41 2pdt h ILE 47 CO 1.83 0.15 -0.10 0.24 -0.69 0.00 0.00 178.15 179.58 2pdt h MET 48 N 0.82 0.82 -0.71 2.37 2.86 -2.00 -0.47 114.93 118.63 2pdt h MET 48 Ca 0.31 -0.32 0.02 0.00 -2.06 0.00 0.00 59.70 57.65 2pdt h MET 48 Cb 0.11 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.69 2pdt h MET 48 CO -0.15 0.94 0.47 0.78 1.06 0.00 0.00 176.91 180.02 2pdt h GLY 49 N 0.65 0.99 1.90 8.32 0.00 -1.81 -1.16 103.07 111.96 2pdt h GLY 49 Ca 0.11 -0.36 -0.19 0.00 0.00 0.00 0.00 47.33 46.89 2pdt h GLY 49 CO 0.04 0.33 -0.89 -0.97 0.00 0.00 0.00 176.54 175.06 2pdt h TYR 50 N 0.91 0.14 -0.44 5.60 0.05 -0.67 -1.15 116.97 121.41 2pdt h TYR 50 Ca 0.27 -0.08 -0.03 0.00 0.05 0.00 0.00 58.73 58.94 2pdt h TYR 50 Cb -0.02 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 37.68 2pdt h TYR 50 CO -0.00 0.93 0.15 -0.07 -1.05 0.00 0.00 178.16 178.12 2pdt h LEU 51 N 0.05 0.64 -0.14 3.88 3.38 -0.46 0.41 115.31 123.05 2pdt h LEU 51 Ca -0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 2pdt h LEU 51 Cb 1.54 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 2pdt h LEU 51 CO 0.13 0.66 0.05 0.40 0.09 0.00 0.00 178.44 179.77 2pdt h ILE 52 N 0.58 1.16 -0.96 1.22 2.04 -1.18 -0.84 117.51 119.53 2pdt h ILE 52 Ca 0.15 -0.50 0.11 0.00 1.00 0.00 0.00 64.86 65.62 2pdt h ILE 52 Cb 0.24 1.23 -0.07 0.00 -0.74 0.00 0.00 36.82 37.47 2pdt h ILE 52 CO -0.01 0.15 0.61 -0.61 0.00 0.00 0.00 178.15 178.30 2pdt h GLN 53 N 0.06 0.94 -0.04 2.37 4.15 -0.95 -1.14 115.11 120.50 2pdt h GLN 53 Ca 0.05 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 2pdt h GLN 53 Cb 0.19 -0.21 -0.00 0.00 0.21 0.00 0.00 27.48 27.67 2pdt h GLN 53 CO -0.00 0.62 -0.03 0.82 -1.93 0.00 0.00 178.83 178.31 2pdt h ILE 54 N 0.97 1.34 0.00 2.39 2.04 -0.42 -2.11 117.51 121.73 2pdt h ILE 54 Ca 0.46 -1.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.25 2pdt h ILE 54 Cb 0.44 1.97 -0.00 0.00 -0.74 0.00 0.00 36.82 38.49 2pdt h ILE 54 CO -0.22 0.29 -0.02 0.24 0.00 0.00 0.00 178.15 178.44 2pdt h MET 55 N -0.31 0.00 -0.03 2.37 2.86 -0.81 -1.97 114.93 117.03 2pdt h MET 55 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2pdt h MET 55 Cb 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.14 2pdt h MET 55 CO 0.01 0.02 0.00 0.09 1.06 0.00 0.00 176.91 178.09 2pdt n ASN 56 N -3.20 2.67 -4.74 1.22 3.02 -0.46 -4.98 115.26 108.79 2pdt n ASN 56 Ca -0.02 -1.89 -0.42 0.00 -0.03 0.00 0.00 54.58 52.23 2pdt n ASN 56 Cb 0.18 -0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.32 2pdt n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pdt s ARG 57 N -1.99 4.14 0.22 3.52 1.70 -0.74 -4.91 118.95 120.88 2pdt s ARG 57 Ca 0.30 2.56 0.26 0.00 -0.47 0.00 0.00 55.73 58.38 2pdt s ARG 57 Cb 0.20 -3.05 0.76 0.00 -0.57 0.00 0.00 34.95 32.30 2pdt s ARG 57 CO 0.31 -0.65 1.75 -1.00 -1.08 0.00 0.00 175.30 174.63 2pdt h PRO 58 N 5.39 0.00 -1.76 3.89 0.13 -1.91 -3.35 132.00 134.39 2pdt h PRO 58 Ca -0.46 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 63.97 2pdt h PRO 58 Cb 1.21 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.02 2pdt h PRO 58 CO 0.84 0.00 0.45 0.27 -0.23 0.00 0.00 178.00 179.33 2pdt n ASN 59 N -2.30 6.60 -4.61 1.44 6.94 -1.26 -5.02 115.26 117.04 2pdt n ASN 59 Ca 0.05 -3.80 -0.43 0.00 -0.02 0.00 0.00 54.58 50.39 2pdt n ASN 59 Cb 0.44 -0.86 -0.03 0.00 -2.36 0.00 0.00 39.78 36.97 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 -3.89 3.44 -0.01 -0.53 0.04 -1.26 -4.81 135.00 127.98 2pdt s PRO 60 Ca 0.51 1.85 0.21 0.00 0.04 0.00 0.00 61.00 63.62 2pdt s PRO 60 Cb 0.43 -4.23 -0.26 0.00 0.04 0.00 0.00 34.50 30.48 2pdt s PRO 60 CO -0.31 -1.74 0.53 1.04 0.04 0.00 0.00 177.00 176.56 2pdt n GLN 61 N 8.30 0.65 -4.26 4.56 1.13 -1.26 -4.96 117.38 121.55 2pdt n GLN 61 Ca 0.24 -0.09 -0.22 0.00 -1.94 0.00 0.00 57.00 54.99 2pdt n GLN 61 Cb 0.45 -1.59 -0.12 0.00 0.11 0.00 0.00 30.24 29.09 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 -3.30 1.53 -0.68 5.09 1.01 -1.26 -5.06 120.40 117.72 2pdt s VAL 62 Ca -0.07 -1.55 -0.22 0.00 0.00 0.00 0.00 61.98 60.14 2pdt s VAL 62 Cb 0.12 -1.47 0.07 0.00 0.00 0.00 0.00 36.38 35.10 2pdt s VAL 62 CO 0.87 -0.17 0.98 -0.70 0.00 0.00 0.00 175.10 176.08 2pdt s GLU 63 N -2.06 3.15 -0.21 2.72 -6.30 -1.26 -4.81 118.70 109.92 2pdt s GLU 63 Ca 0.06 -0.90 0.04 0.00 -2.50 0.00 0.00 54.97 51.66 2pdt s GLU 63 Cb -0.09 -4.29 -0.21 0.00 0.00 0.00 0.00 34.13 29.55 2pdt s GLU 63 CO 0.04 -1.82 -0.01 -0.11 0.02 0.00 0.00 175.26 173.38 2pdt n LEU 64 N 7.63 2.28 0.00 2.70 7.94 -1.26 -5.11 117.00 131.18 2pdt n LEU 64 Ca -0.02 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.87 2pdt n LEU 64 Cb 0.46 -0.64 0.00 0.00 0.53 0.00 0.00 43.42 43.76 2pdt n LEU 64 CO 0.63 0.82 0.00 0.61 -1.11 0.00 0.00 177.39 178.34 2pdt n GLY 65 N 2.08 -2.23 3.75 -3.96 0.00 -1.26 -4.84 105.19 98.73 2pdt n GLY 65 Ca -0.39 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.55 4.51 0.03 1.61 0.04 -1.26 -4.98 135.00 134.40 2pdt s PRO 66 Ca 0.00 1.94 -0.02 0.00 0.04 0.00 0.00 61.00 62.96 2pdt s PRO 66 Cb 0.00 -3.18 -0.02 0.00 0.04 0.00 0.00 34.50 31.33 2pdt s PRO 66 CO 0.00 -0.02 -0.00 0.54 0.04 0.00 0.00 177.00 177.56 2pdt s VAL 67 N -0.64 0.14 0.21 -0.36 0.11 -1.26 -5.17 120.40 113.42 2pdt s VAL 67 Ca 0.50 -1.18 0.03 0.00 -2.93 0.00 0.00 61.98 58.40 2pdt s VAL 67 Cb -0.34 -0.72 -0.01 0.00 -1.53 0.00 0.00 36.38 33.78 2pdt s VAL 67 CO 0.42 -0.65 0.21 -0.90 -3.33 0.00 0.00 175.10 170.85 2pdt n ASP 68 N 1.04 -0.55 0.00 3.54 5.68 -1.26 -4.97 116.55 120.03 2pdt n ASP 68 Ca -0.20 -2.29 0.09 0.00 -0.50 0.00 0.00 54.79 51.89 2pdt n ASP 68 Cb 0.57 1.18 0.56 0.00 -1.14 0.00 0.00 41.12 42.29 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 -0.38 0.00 1.20 2.12 -2.24 -1.26 -2.76 114.28 110.97 2pdt n THR 69 Ca 0.04 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.94 2pdt n THR 69 Cb 0.37 -0.60 0.26 0.00 -2.10 0.00 0.00 70.33 68.27 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 -0.93 1.79 -4.88 3.42 3.41 -1.26 -4.81 113.62 110.36 2pdt n SER 70 Ca 0.14 -1.42 -0.26 0.00 -0.26 0.00 0.00 58.87 57.07 2pdt n SER 70 Cb 0.06 0.16 0.08 0.00 -0.26 0.00 0.00 64.21 64.25 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 -3.34 3.32 0.08 0.00 0.00 -1.26 -4.42 121.76 116.14 2pdt s ALA 72 Ca 0.61 -0.77 -0.08 0.00 0.00 0.00 0.00 51.96 51.72 2pdt s ALA 72 Cb -0.10 -3.51 -0.00 0.00 0.00 0.00 0.00 23.12 19.50 2pdt s ALA 72 CO 0.46 -1.82 0.17 -0.48 0.00 0.00 0.00 175.76 174.09 2pdt s LEU 73 N 3.43 1.52 0.04 0.00 0.05 -1.26 -0.74 118.68 121.72 2pdt s LEU 73 Ca 0.34 -0.67 -0.05 0.00 0.05 0.00 0.00 54.13 53.80 2pdt s LEU 73 Cb -0.12 0.96 -0.02 0.00 -2.05 0.00 0.00 46.19 44.97 2pdt s LEU 73 CO 0.22 -0.71 0.07 0.27 -0.55 0.00 0.00 176.35 175.65 2pdt s ILE 74 N -3.83 0.14 -0.13 1.48 -4.36 -0.64 -1.42 121.20 112.44 2pdt s ILE 74 Ca 0.05 -1.18 0.03 0.00 -0.26 0.00 0.00 60.65 59.28 2pdt s ILE 74 Cb 0.05 -0.95 0.01 0.00 1.25 0.00 0.00 42.46 42.82 2pdt s ILE 74 CO -0.11 -0.65 -0.21 -0.22 0.24 0.00 0.00 174.94 173.98 2pdt s LEU 75 N -2.22 2.06 0.06 0.37 2.96 0.54 -1.14 118.68 121.32 2pdt s LEU 75 Ca -0.04 -0.58 0.07 0.00 -0.22 0.00 0.00 54.13 53.36 2pdt s LEU 75 Cb -0.00 -1.40 -0.04 0.00 0.50 0.00 0.00 46.19 45.25 2pdt s LEU 75 CO -0.05 0.08 -0.14 0.00 -1.32 0.00 0.00 176.35 174.92 2pdt s ASP 77 N -1.77 6.37 0.50 0.00 -1.08 -0.04 -1.88 116.67 118.78 2pdt s ASP 77 Ca 0.18 -0.13 0.28 0.00 -0.52 0.00 0.00 52.55 52.36 2pdt s ASP 77 Cb -0.11 -2.33 1.26 0.00 -1.46 0.00 0.00 42.92 40.29 2pdt s ASP 77 CO 0.09 -0.72 1.97 -0.07 0.52 0.00 0.00 175.17 176.95 2pdt h LEU 78 N 9.63 0.00 -1.35 -1.34 3.38 -1.41 -3.04 115.31 121.17 2pdt h LEU 78 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2pdt h LEU 78 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2pdt h LEU 78 CO 0.88 0.14 0.00 0.29 0.09 0.00 0.00 178.44 179.84 2pdt n LYS 79 N -3.41 1.91 -4.21 1.13 4.01 -1.25 -4.81 118.16 111.53 2pdt n LYS 79 Ca -0.01 -1.34 -0.26 0.00 -0.51 0.00 0.00 58.31 56.19 2pdt n LYS 79 Cb 0.32 -1.45 -0.07 0.00 -0.51 0.00 0.00 35.03 33.32 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 -1.84 2.42 0.10 1.97 -0.21 -1.15 -5.06 119.66 115.89 2pdt s GLN 80 Ca 0.34 -1.13 -0.35 0.00 0.02 0.00 0.00 55.36 54.24 2pdt s GLN 80 Cb 0.20 -2.35 -0.15 0.00 1.00 0.00 0.00 33.01 31.71 2pdt s GLN 80 CO 0.30 0.44 1.52 1.17 -2.12 0.00 0.00 175.29 176.60 2pdt n LYS 81 N -0.24 1.75 -2.69 2.91 4.81 -1.26 -2.28 118.16 121.16 2pdt n LYS 81 Ca -0.09 0.63 -0.21 0.00 -0.87 0.00 0.00 58.31 57.77 2pdt n LYS 81 Cb 0.56 -2.36 0.01 0.00 0.02 0.00 0.00 35.03 33.26 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 3.40 -5.96 -3.94 3.14 2.03 -1.26 -3.88 116.55 110.07 2pdt n ASP 82 Ca 0.18 -0.14 -0.40 0.00 0.52 0.00 0.00 54.79 54.95 2pdt n ASP 82 Cb 0.25 -4.90 0.02 0.00 -0.72 0.00 0.00 41.12 35.77 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 -4.23 -3.63 -1.75 5.18 -1.04 -0.97 -4.42 114.28 103.42 2pdt n THR 83 Ca -0.18 -0.61 -0.33 0.00 -2.04 0.00 0.00 64.05 60.88 2pdt n THR 83 Cb 0.66 -2.91 0.05 0.00 -1.82 0.00 0.00 70.33 66.30 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 -6.75 2.74 -0.08 -2.82 0.04 -1.25 -4.58 135.00 122.30 2pdt s PRO 84 Ca 0.42 1.47 -0.30 0.00 0.04 0.00 0.00 61.00 62.64 2pdt s PRO 84 Cb -0.21 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 2pdt s PRO 84 CO 0.94 -1.31 1.14 0.42 0.04 0.00 0.00 177.00 178.23 2pdt s ILE 85 N -2.22 4.42 -1.22 0.56 1.01 -0.68 -0.86 121.20 122.22 2pdt s ILE 85 Ca 0.69 1.73 0.11 0.00 0.00 0.00 0.00 60.65 63.18 2pdt s ILE 85 Cb -0.22 -4.11 0.04 0.00 0.01 0.00 0.00 42.46 38.18 2pdt s ILE 85 CO 0.41 -0.02 0.76 1.33 0.00 0.00 0.00 174.94 177.42 2pdt n VAL 86 N 4.68 0.00 -3.64 2.92 0.24 0.57 -0.99 118.33 122.10 2pdt n VAL 86 Ca 0.11 -0.44 -0.06 0.00 -2.04 0.00 0.00 64.34 61.90 2pdt n VAL 86 Cb 0.47 1.18 -0.07 0.00 -1.47 0.00 0.00 33.84 33.95 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 -1.19 -0.75 -0.06 6.34 6.14 -1.04 -4.94 117.35 121.86 2pdt s TYR 87 Ca 0.11 1.56 0.01 0.00 0.64 0.00 0.00 57.07 59.39 2pdt s TYR 87 Cb 0.09 0.44 0.02 0.00 0.42 0.00 0.00 41.96 42.93 2pdt s TYR 87 CO 0.21 -0.37 -0.07 0.00 0.64 0.00 0.00 175.55 175.96 2pdt s ALA 88 N 1.17 0.94 0.64 3.97 0.00 -1.26 -0.34 121.76 126.88 2pdt s ALA 88 Ca -0.07 -0.22 -0.12 0.00 0.00 0.00 0.00 51.96 51.55 2pdt s ALA 88 Cb -0.04 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 2pdt s ALA 88 CO -0.14 -0.01 1.04 -1.54 0.00 0.00 0.00 175.76 175.12 2pdt s SER 89 N 0.91 5.84 0.23 0.00 1.04 -0.51 -4.90 113.70 116.31 2pdt s SER 89 Ca -0.11 1.55 -0.07 0.00 0.48 0.00 0.00 55.95 57.80 2pdt s SER 89 Cb -0.15 -2.49 0.37 0.00 0.10 0.00 0.00 66.02 63.86 2pdt s SER 89 CO 0.01 -1.13 1.72 -0.33 0.98 0.00 0.00 173.24 174.49 2pdt h GLU 90 N -0.35 0.36 -0.65 4.02 5.08 -1.87 -1.01 114.58 120.17 2pdt h GLU 90 Ca -0.44 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 57.94 2pdt h GLU 90 Cb 1.20 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.33 2pdt h GLU 90 CO 0.59 0.24 0.43 0.00 -1.00 0.00 0.00 179.01 179.27 2pdt h ALA 91 N 1.50 1.68 -0.11 3.43 0.00 -1.85 -1.09 119.26 122.83 2pdt h ALA 91 Ca 0.36 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 2pdt h ALA 91 Cb 0.53 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2pdt h ALA 91 CO -0.39 0.24 0.02 0.35 0.00 0.00 0.00 179.25 179.47 2pdt h PHE 92 N 0.74 0.19 -0.54 0.00 3.57 -1.42 0.11 116.94 119.60 2pdt h PHE 92 Ca 0.27 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.78 2pdt h PHE 92 Cb 0.13 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 2pdt h PHE 92 CO -0.00 0.37 0.30 -0.07 -2.23 0.00 0.00 178.31 176.68 2pdt h LEU 93 N -0.04 0.45 -0.75 0.59 3.38 -1.08 -0.62 115.31 117.25 2pdt h LEU 93 Ca 0.03 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 2pdt h LEU 93 Cb 0.28 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2pdt h LEU 93 CO 0.00 0.31 -0.36 0.22 0.09 0.00 0.00 178.44 178.70 2pdt h TYR 94 N 0.58 0.62 -0.38 1.13 3.20 -1.08 0.38 116.97 121.42 2pdt h TYR 94 Ca 0.23 -0.17 -0.15 0.00 3.14 0.00 0.00 58.73 61.79 2pdt h TYR 94 Cb 0.09 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 2pdt h TYR 94 CO -0.08 0.82 -0.35 1.98 -1.64 0.00 0.00 178.16 178.89 2pdt h MET 95 N 0.45 0.87 0.00 1.82 4.05 -0.32 -3.22 114.93 118.58 2pdt h MET 95 Ca 0.05 -0.43 0.00 0.00 -0.28 0.00 0.00 59.70 59.04 2pdt h MET 95 Cb 0.84 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.64 2pdt h MET 95 CO 0.07 1.07 -0.94 0.25 0.23 0.00 0.00 176.91 177.59 2pdt n THR 96 N -4.06 0.45 -0.86 -0.77 -2.24 -0.28 -4.86 114.28 101.65 2pdt n THR 96 Ca -0.01 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2pdt n THR 96 Cb 0.52 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 2pdt n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pdt n GLY 97 N 1.26 0.86 3.96 3.38 0.00 0.13 -0.22 105.19 114.56 2pdt n GLY 97 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.39 3.14 0.26 1.61 1.51 -1.03 -4.66 117.35 114.79 2pdt s TYR 98 Ca 0.00 0.14 0.06 0.00 -1.01 0.00 0.00 57.07 56.25 2pdt s TYR 98 Cb 0.00 -2.36 -0.03 0.00 -0.11 0.00 0.00 41.96 39.46 2pdt s TYR 98 CO 0.00 -0.41 0.33 -1.54 -1.11 0.00 0.00 175.55 172.82 2pdt s SER 99 N -4.25 6.03 0.25 2.29 1.04 -1.26 -4.52 113.70 113.28 2pdt s SER 99 Ca 0.50 -0.07 -0.03 0.00 0.48 0.00 0.00 55.95 56.83 2pdt s SER 99 Cb -0.10 -1.62 0.50 0.00 0.10 0.00 0.00 66.02 64.91 2pdt s SER 99 CO 0.37 -0.13 1.73 -1.13 0.98 0.00 0.00 173.24 175.06 2pdt h ASN 100 N 1.21 0.32 -0.08 7.02 -0.00 -1.96 0.23 115.58 122.32 2pdt h ASN 100 Ca -0.50 0.11 -0.04 0.00 -0.00 0.00 0.00 56.30 55.87 2pdt h ASN 100 Cb 1.24 0.08 -0.01 0.00 -0.00 0.00 0.00 38.32 39.63 2pdt h ASN 100 CO 0.60 0.11 -0.05 0.00 -0.00 0.00 0.00 177.43 178.08 2pdt h ALA 101 N 1.57 1.52 0.00 1.57 0.00 -1.95 -1.41 119.26 120.57 2pdt h ALA 101 Ca 0.44 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 2pdt h ALA 101 Cb 0.69 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2pdt h ALA 101 CO -0.41 0.34 -0.63 0.93 0.00 0.00 0.00 179.25 179.47 2pdt h GLU 102 N 0.31 0.00 0.05 0.00 5.08 -1.37 -3.38 114.58 115.27 2pdt h GLU 102 Ca 0.07 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.06 2pdt h GLU 102 Cb 0.30 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 2pdt h GLU 102 CO 0.01 0.63 -2.14 1.33 -1.00 0.00 0.00 179.01 177.85 2pdt n VAL 103 N -3.38 1.62 -1.65 3.13 0.24 -0.73 -4.88 118.33 112.68 2pdt n VAL 103 Ca 0.01 -0.51 -0.46 0.00 -2.04 0.00 0.00 64.34 61.34 2pdt n VAL 103 Cb 0.74 -1.68 -0.03 0.00 -1.47 0.00 0.00 33.84 31.39 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 -3.62 2.68 0.00 1.34 4.32 -0.56 -2.30 117.00 118.86 2pdt n LEU 104 Ca -0.40 1.15 0.00 0.00 -0.02 0.00 0.00 56.01 56.74 2pdt n LEU 104 Cb 0.96 -1.37 0.00 0.00 -1.62 0.00 0.00 43.42 41.39 2pdt n LEU 104 CO 0.29 -0.73 0.00 0.61 -1.22 0.00 0.00 177.39 176.35 2pdt n GLY 105 N 2.02 1.73 3.89 -0.72 0.00 -0.17 -4.95 105.19 107.01 2pdt n GLY 105 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.42 3.26 0.34 1.61 0.52 -0.97 -4.63 118.95 118.66 2pdt s ARG 106 Ca 0.00 -0.66 -0.26 0.00 -0.52 0.00 0.00 55.73 54.28 2pdt s ARG 106 Cb 0.00 -2.87 -0.09 0.00 0.52 0.00 0.00 34.95 32.50 2pdt s ARG 106 CO 0.00 0.52 1.03 1.21 0.02 0.00 0.00 175.30 178.08 2pdt s ASN 107 N -3.10 7.11 0.00 0.23 3.84 -1.26 -1.69 114.94 120.07 2pdt s ASN 107 Ca 0.33 2.05 0.12 0.00 0.21 0.00 0.00 52.86 55.57 2pdt s ASN 107 Cb -0.11 -2.60 0.59 0.00 -0.55 0.00 0.00 41.25 38.58 2pdt s ASN 107 CO 0.27 -0.24 1.30 0.00 -2.79 0.00 0.00 177.10 175.63 2pdt h ARG 109 N 0.00 0.00 -0.24 0.00 0.11 -1.94 -2.36 114.38 109.95 2pdt h ARG 109 Ca 0.00 0.00 0.07 0.00 0.10 0.00 0.00 59.98 60.15 2pdt h ARG 109 Cb 0.12 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.19 2pdt h ARG 109 CO 0.00 0.00 0.29 0.27 0.10 0.00 0.00 179.97 180.63 2pdt h PHE 110 N 0.00 0.00 0.00 4.08 -5.15 -1.84 0.67 116.94 114.70 2pdt h PHE 110 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 2pdt h PHE 110 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.29 2pdt h PHE 110 CO 0.00 0.00 0.00 1.28 -2.00 0.00 0.00 178.31 177.59 2pdt n LEU 111 N -3.65 0.31 0.00 2.10 4.77 -0.89 -2.95 117.00 116.69 2pdt n LEU 111 Ca 0.03 0.58 0.13 0.00 -0.03 0.00 0.00 56.01 56.72 2pdt n LEU 111 Cb 0.42 -0.53 0.60 0.00 -2.33 0.00 0.00 43.42 41.58 2pdt n LEU 111 CO 0.26 -0.39 0.93 0.00 -1.33 0.00 0.00 177.39 176.86 2pdt n GLN 112 N -1.85 0.08 -4.94 3.23 6.02 0.23 -0.04 117.38 120.11 2pdt n GLN 112 Ca 0.03 0.04 -0.27 0.00 -0.01 0.00 0.00 57.00 56.79 2pdt n GLN 112 Cb 0.20 -1.50 -0.15 0.00 1.02 0.00 0.00 30.24 29.81 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 -2.92 2.43 0.00 1.08 0.15 -1.15 -4.61 113.70 108.68 2pdt s SER 113 Ca 0.16 -0.40 0.06 0.00 0.70 0.00 0.00 55.95 56.46 2pdt s SER 113 Cb 0.18 -0.26 0.26 0.00 -1.71 0.00 0.00 66.02 64.49 2pdt s SER 113 CO 0.48 0.24 1.12 -0.81 1.20 0.00 0.00 173.24 175.46 2pdt n PRO 114 N 2.44 0.03 -0.41 5.44 -0.04 -1.26 -1.92 135.00 139.27 2pdt n PRO 114 Ca -0.16 0.34 0.07 0.00 -0.04 0.00 0.00 63.50 63.72 2pdt n PRO 114 Cb 0.53 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.42 1.87 -1.78 3.54 3.85 -1.26 -4.42 116.55 116.93 2pdt n ASP 115 Ca 0.02 -3.38 -0.13 0.00 -0.71 0.00 0.00 54.79 50.59 2pdt n ASP 115 Cb 0.06 -0.46 -0.04 0.00 -1.35 0.00 0.00 41.12 39.33 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 -1.13 0.54 2.93 6.12 0.00 -0.81 -4.92 105.19 107.93 2pdt n GLY 116 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.83 1.31 -0.22 1.61 -1.94 -1.26 -4.83 119.30 110.14 2pdt s MET 117 Ca 0.00 -1.55 -0.04 0.00 -1.71 0.00 0.00 55.69 52.39 2pdt s MET 117 Cb 0.00 -2.80 0.08 0.00 2.01 0.00 0.00 34.83 34.13 2pdt s MET 117 CO 0.00 -0.91 0.15 0.54 -0.01 0.00 0.00 175.02 174.79 2pdt s VAL 118 N 1.15 -0.17 0.42 -6.03 0.11 -1.26 -4.82 120.40 109.80 2pdt s VAL 118 Ca 0.08 -0.33 -0.23 0.00 -2.93 0.00 0.00 61.98 58.57 2pdt s VAL 118 Cb -0.19 -0.73 -0.09 0.00 -1.53 0.00 0.00 36.38 33.85 2pdt s VAL 118 CO -0.13 -0.39 1.08 -1.59 -3.33 0.00 0.00 175.10 170.74 2pdt s LYS 119 N 2.19 4.04 0.63 1.54 0.00 -1.26 -4.74 119.74 122.13 2pdt s LYS 119 Ca 0.06 1.57 -0.18 0.00 0.00 0.00 0.00 55.97 57.42 2pdt s LYS 119 Cb -0.16 -2.48 -0.02 0.00 0.00 0.00 0.00 37.83 35.17 2pdt s LYS 119 CO -0.19 -0.27 1.24 -2.14 0.00 0.00 0.00 175.35 174.00 2pdt s PRO 120 N -2.59 2.73 0.00 1.78 0.02 -1.26 -2.93 135.00 132.75 2pdt s PRO 120 Ca 0.60 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.54 2pdt s PRO 120 Cb -0.23 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.40 2pdt s PRO 120 CO 0.29 -1.42 0.00 1.63 -0.33 0.00 0.00 177.00 177.17 2pdt n LYS 121 N -1.81 0.00 -1.41 5.54 4.76 -1.26 -4.98 118.16 119.01 2pdt n LYS 121 Ca 0.15 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.28 2pdt n LYS 121 Cb 0.49 -2.22 0.07 0.00 -1.84 0.00 0.00 35.03 31.53 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 -2.50 4.88 -0.17 4.39 1.04 -1.15 -5.01 113.70 115.18 2pdt s SER 122 Ca 0.00 1.70 -0.20 0.00 0.48 0.00 0.00 55.95 57.93 2pdt s SER 122 Cb 0.00 -2.49 -0.03 0.00 0.10 0.00 0.00 66.02 63.60 2pdt s SER 122 CO 0.00 -1.78 0.60 -0.89 0.98 0.00 0.00 173.24 172.15 2pdt s THR 123 N -2.98 5.06 0.45 2.02 2.01 -1.26 -5.04 115.64 115.91 2pdt s THR 123 Ca 0.60 1.14 -0.22 0.00 0.31 0.00 0.00 61.69 63.52 2pdt s THR 123 Cb -0.16 -3.92 -0.09 0.00 0.01 0.00 0.00 72.50 68.35 2pdt s THR 123 CO 0.56 0.17 1.04 -0.13 -0.69 0.00 0.00 174.62 175.57 2pdt s ARG 124 N 1.54 3.95 0.11 4.92 3.00 -1.26 -4.97 118.95 126.24 2pdt s ARG 124 Ca 0.28 1.41 0.18 0.00 0.00 0.00 0.00 55.73 57.60 2pdt s ARG 124 Cb -0.16 -2.26 -0.09 0.00 0.00 0.00 0.00 34.95 32.44 2pdt s ARG 124 CO 0.11 -0.31 0.92 0.87 0.00 0.00 0.00 175.30 176.90 2pdt h LYS 125 N 1.92 0.00 -0.04 3.54 1.57 -1.96 -3.39 116.57 118.20 2pdt h LYS 125 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2pdt h LYS 125 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2pdt h LYS 125 CO 0.60 0.26 0.00 0.66 -0.57 0.00 0.00 179.45 180.40 2pdt n TYR 126 N -2.89 0.05 -4.13 -1.35 4.01 -1.26 -4.99 117.16 106.60 2pdt n TYR 126 Ca -0.07 -0.12 -0.17 0.00 -0.16 0.00 0.00 57.90 57.38 2pdt n TYR 126 Cb 0.78 -0.01 -0.15 0.00 -0.31 0.00 0.00 39.34 39.65 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 -0.53 0.41 0.46 -0.72 1.01 -1.26 -4.60 120.40 115.17 2pdt s VAL 127 Ca 0.06 -0.15 -0.23 0.00 0.00 0.00 0.00 61.98 61.66 2pdt s VAL 127 Cb 0.04 -0.39 -0.07 0.00 0.00 0.00 0.00 36.38 35.95 2pdt s VAL 127 CO 0.06 0.15 1.20 1.51 0.00 0.00 0.00 175.10 178.01 2pdt s ASP 128 N 0.30 6.12 0.35 3.32 1.47 -1.26 -4.50 116.67 122.47 2pdt s ASP 128 Ca -0.03 2.39 0.05 0.00 1.18 0.00 0.00 52.55 56.13 2pdt s ASP 128 Cb -0.07 -2.61 0.71 0.00 -0.34 0.00 0.00 42.92 40.61 2pdt s ASP 128 CO -0.00 -0.96 1.94 0.28 0.68 0.00 0.00 175.17 177.11 2pdt h SER 129 N 2.10 0.71 0.05 2.11 0.02 -2.00 -2.81 113.55 113.72 2pdt h SER 129 Ca -0.49 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.46 2pdt h SER 129 Cb 1.25 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.65 2pdt h SER 129 CO 0.60 0.45 -0.03 -1.13 -1.14 0.00 0.00 176.83 175.59 2pdt h ASN 130 N 0.80 -0.06 -0.92 3.07 -1.24 -1.99 0.11 115.58 115.35 2pdt h ASN 130 Ca 0.34 -0.04 0.09 0.00 0.71 0.00 0.00 56.30 57.40 2pdt h ASN 130 Cb 0.30 0.02 -0.07 0.00 0.73 0.00 0.00 38.32 39.29 2pdt h ASN 130 CO -0.12 -0.00 0.57 0.74 -1.29 0.00 0.00 177.43 177.32 2pdt h THR 131 N -0.11 0.98 -0.33 -3.57 2.02 -1.89 0.70 112.91 110.71 2pdt h THR 131 Ca -0.01 -0.33 -0.14 0.00 0.77 0.00 0.00 66.41 66.70 2pdt h THR 131 Cb 0.09 -0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.42 2pdt h THR 131 CO 0.01 0.18 -0.34 0.40 0.37 0.00 0.00 175.52 176.14 2pdt h ILE 132 N 0.98 1.29 -0.62 3.11 2.04 -1.34 -2.22 117.51 120.74 2pdt h ILE 132 Ca 0.43 -1.51 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 2pdt h ILE 132 Cb 0.30 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 2pdt h ILE 132 CO -0.22 0.49 0.33 0.78 0.00 0.00 0.00 178.15 179.54 2pdt h ASN 133 N 0.59 0.77 -0.47 1.72 4.21 -0.04 -1.49 115.58 120.87 2pdt h ASN 133 Ca 0.05 -0.06 -0.06 0.00 1.21 0.00 0.00 56.30 57.44 2pdt h ASN 133 Cb 0.92 -0.20 -0.02 0.00 -1.12 0.00 0.00 38.32 37.91 2pdt h ASN 133 CO 0.08 0.63 0.07 0.74 -1.29 0.00 0.00 177.43 177.66 2pdt h THR 134 N 0.87 1.25 0.03 2.81 2.02 -0.68 0.06 112.91 119.26 2pdt h THR 134 Ca 0.22 -0.93 -0.00 0.00 0.77 0.00 0.00 66.41 66.47 2pdt h THR 134 Cb 0.04 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 2pdt h THR 134 CO -0.03 0.33 -0.01 0.24 0.37 0.00 0.00 175.52 176.41 2pdt h MET 135 N 0.65 -0.03 -0.63 6.66 2.86 -1.01 -0.84 114.93 122.58 2pdt h MET 135 Ca 0.14 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.81 2pdt h MET 135 Cb 0.40 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.03 2pdt h MET 135 CO 0.01 0.11 0.39 -0.09 1.06 0.00 0.00 176.91 178.39 2pdt h ARG 136 N -0.17 0.74 -0.35 1.72 2.43 -1.17 -1.38 114.38 116.19 2pdt h ARG 136 Ca -0.00 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 58.97 2pdt h ARG 136 Cb 0.16 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2pdt h ARG 136 CO 0.01 0.49 -0.38 0.87 -1.51 0.00 0.00 179.97 179.45 2pdt h LYS 137 N 0.76 0.83 -0.17 0.20 1.57 -0.91 -2.24 116.57 116.62 2pdt h LYS 137 Ca 0.25 -0.43 0.01 0.00 -1.87 0.00 0.00 60.65 58.62 2pdt h LYS 137 Cb 0.03 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 2pdt h LYS 137 CO -0.11 1.06 0.09 0.00 -0.57 0.00 0.00 179.45 179.93 2pdt h ALA 138 N 0.88 0.20 -0.83 3.86 0.00 -0.80 -1.47 119.26 121.11 2pdt h ALA 138 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2pdt h ALA 138 Cb 0.94 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 2pdt h ALA 138 CO 0.09 -0.34 0.43 0.82 0.00 0.00 0.00 179.25 180.25 2pdt h ILE 139 N 0.19 1.25 -0.02 0.00 2.04 -1.17 0.23 117.51 120.02 2pdt h ILE 139 Ca 0.07 -0.65 -0.13 0.00 1.00 0.00 0.00 64.86 65.15 2pdt h ILE 139 Cb 0.00 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 2pdt h ILE 139 CO -0.04 0.29 -0.57 0.44 0.00 0.00 0.00 178.15 178.27 2pdt h ASP 140 N 1.17 0.07 0.76 1.72 3.45 -1.19 -2.98 116.42 119.43 2pdt h ASP 140 Ca 0.29 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.71 2pdt h ASP 140 Cb 0.06 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 38.81 2pdt h ASP 140 CO -0.04 0.63 -0.28 0.54 -1.57 0.00 0.00 179.24 178.51 2pdt n ARG 141 N -3.87 0.02 -3.47 3.56 1.74 -0.57 -4.93 116.66 109.14 2pdt n ARG 141 Ca -0.02 0.01 -0.21 0.00 -0.77 0.00 0.00 57.85 56.86 2pdt n ARG 141 Cb 0.58 -1.52 0.07 0.00 -1.02 0.00 0.00 32.46 30.57 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 -1.56 -5.88 -4.62 0.55 3.02 -0.12 -5.00 115.26 101.65 2pdt n ASN 142 Ca 0.06 -0.48 -0.34 0.00 -0.03 0.00 0.00 54.58 53.79 2pdt n ASN 142 Cb 0.35 -4.50 -0.10 0.00 -0.61 0.00 0.00 39.78 34.91 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 -3.28 3.14 0.47 5.41 0.00 -0.14 -4.79 121.76 122.57 2pdt s ALA 143 Ca 0.52 -0.84 -0.23 0.00 0.00 0.00 0.00 51.96 51.41 2pdt s ALA 143 Cb -0.23 -1.39 -0.07 0.00 0.00 0.00 0.00 23.12 21.43 2pdt s ALA 143 CO 0.64 0.54 1.26 -1.21 0.00 0.00 0.00 175.76 176.99 2pdt s GLU 144 N -0.71 3.61 0.08 0.00 2.02 -1.26 -4.42 118.70 118.02 2pdt s GLU 144 Ca 0.11 2.01 -0.13 0.00 0.02 0.00 0.00 54.97 56.97 2pdt s GLU 144 Cb -0.11 -2.44 0.02 0.00 0.10 0.00 0.00 34.13 31.69 2pdt s GLU 144 CO 0.02 -0.74 0.30 0.54 0.02 0.00 0.00 175.26 175.40 2pdt s VAL 145 N -1.40 0.10 -0.12 2.63 0.11 -0.94 -4.95 120.40 115.82 2pdt s VAL 145 Ca 0.65 -0.79 -0.06 0.00 -2.93 0.00 0.00 61.98 58.84 2pdt s VAL 145 Cb -0.34 -1.12 0.05 0.00 -1.53 0.00 0.00 36.38 33.44 2pdt s VAL 145 CO 0.42 -0.44 0.29 -1.58 -3.33 0.00 0.00 175.10 170.46 2pdt s GLN 146 N -3.27 0.25 0.25 1.54 0.74 -1.26 -1.55 119.66 116.36 2pdt s GLN 146 Ca 0.00 0.59 -0.06 0.00 0.05 0.00 0.00 55.36 55.94 2pdt s GLN 146 Cb 0.02 -0.10 -0.02 0.00 1.10 0.00 0.00 33.01 34.01 2pdt s GLN 146 CO -0.08 -0.16 0.33 0.14 -0.55 0.00 0.00 175.29 174.97 2pdt s VAL 147 N 1.28 0.00 -0.09 1.34 -7.23 -0.35 -5.02 120.40 110.33 2pdt s VAL 147 Ca -0.09 -1.70 0.02 0.00 -1.81 0.00 0.00 61.98 58.40 2pdt s VAL 147 Cb -0.10 -2.40 -0.02 0.00 0.56 0.00 0.00 36.38 34.42 2pdt s VAL 147 CO -0.09 0.00 -0.16 -1.61 -0.31 0.00 0.00 175.10 172.92 2pdt s GLU 148 N -3.89 2.95 0.02 4.82 2.02 -1.26 -1.18 118.70 122.17 2pdt s GLU 148 Ca 0.31 -0.74 -0.09 0.00 0.02 0.00 0.00 54.97 54.47 2pdt s GLU 148 Cb 0.02 -2.45 0.01 0.00 0.10 0.00 0.00 34.13 31.81 2pdt s GLU 148 CO 0.13 0.37 0.19 0.54 0.02 0.00 0.00 175.26 176.51 2pdt s VAL 149 N -0.07 0.09 -0.22 2.63 0.11 -0.44 -4.96 120.40 117.53 2pdt s VAL 149 Ca -0.03 -0.75 -0.25 0.00 -2.93 0.00 0.00 61.98 58.01 2pdt s VAL 149 Cb -0.14 -0.68 -0.01 0.00 -1.53 0.00 0.00 36.38 34.02 2pdt s VAL 149 CO 0.04 -0.41 0.85 -0.69 -3.33 0.00 0.00 175.10 171.56 2pdt s VAL 150 N -1.92 4.83 0.40 2.04 1.01 -1.26 -0.62 120.40 124.89 2pdt s VAL 150 Ca -0.10 1.64 0.05 0.00 0.00 0.00 0.00 61.98 63.57 2pdt s VAL 150 Cb -0.04 -4.14 -0.07 0.00 0.00 0.00 0.00 36.38 32.13 2pdt s VAL 150 CO -0.00 -0.06 0.02 0.20 0.00 0.00 0.00 175.10 175.26 2pdt s ASN 151 N 1.28 3.54 -0.06 3.32 0.02 -0.59 -4.61 114.94 117.84 2pdt s ASN 151 Ca 0.37 -1.42 -0.00 0.00 -1.02 0.00 0.00 52.86 50.79 2pdt s ASN 151 Cb -0.16 -0.18 0.03 0.00 0.02 0.00 0.00 41.25 40.96 2pdt s ASN 151 CO 0.08 -0.55 -0.02 -0.36 0.02 0.00 0.00 177.10 176.27 2pdt s PHE 152 N -2.88 0.74 1.07 2.20 0.08 0.95 -1.40 117.98 118.75 2pdt s PHE 152 Ca 0.31 -0.22 -0.12 0.00 0.12 0.00 0.00 56.93 57.03 2pdt s PHE 152 Cb 0.08 -0.76 0.23 0.00 -0.57 0.00 0.00 43.02 42.01 2pdt s PHE 152 CO 0.15 -0.28 1.06 0.15 -0.10 0.00 0.00 175.22 176.21 2pdt s LYS 153 N 1.48 -0.21 0.38 0.44 1.02 -0.14 -4.83 119.74 117.88 2pdt s LYS 153 Ca -0.02 0.91 0.05 0.00 0.02 0.00 0.00 55.97 56.93 2pdt s LYS 153 Cb -0.13 -1.63 0.75 0.00 -0.52 0.00 0.00 37.83 36.30 2pdt s LYS 153 CO -0.03 -3.27 2.02 -0.22 -0.92 0.00 0.00 175.35 172.93 2pdt h LYS 154 N -2.30 0.62 0.00 1.68 3.64 -0.87 -0.79 116.57 118.55 2pdt h LYS 154 Ca -0.56 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.76 2pdt h LYS 154 Cb 1.32 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2pdt h LYS 154 CO 0.50 0.45 0.00 0.27 -2.27 0.00 0.00 179.45 178.40 2pdt n ASN 155 N -4.43 0.37 0.00 4.20 2.04 -1.26 -4.84 115.26 111.33 2pdt n ASN 155 Ca 0.04 0.61 0.00 0.00 -0.44 0.00 0.00 54.58 54.78 2pdt n ASN 155 Cb 0.08 -0.68 0.00 0.00 -2.53 0.00 0.00 39.78 36.65 2pdt n ASN 155 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2pdt n GLY 156 N -0.31 1.30 3.70 4.83 0.00 -0.30 -5.06 105.19 109.34 2pdt n GLY 156 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.67 4.18 0.16 1.61 0.74 -1.26 -4.67 119.66 119.77 2pdt s GLN 157 Ca 0.00 2.42 -0.30 0.00 0.05 0.00 0.00 55.36 57.53 2pdt s GLN 157 Cb 0.00 -3.42 -0.07 0.00 1.10 0.00 0.00 33.01 30.62 2pdt s GLN 157 CO 0.00 -0.72 1.07 0.50 -0.55 0.00 0.00 175.29 175.59 2pdt s ARG 158 N 2.09 4.62 0.02 1.67 3.52 -1.26 -0.97 118.95 128.63 2pdt s ARG 158 Ca 0.74 1.66 -0.05 0.00 -0.13 0.00 0.00 55.73 57.96 2pdt s ARG 158 Cb -0.43 -3.30 -0.01 0.00 -1.56 0.00 0.00 34.95 29.65 2pdt s ARG 158 CO 0.33 0.11 0.08 -0.59 -0.81 0.00 0.00 175.30 174.42 2pdt s PHE 159 N -0.20 0.15 -0.17 5.12 -0.71 -0.49 -4.96 117.98 116.73 2pdt s PHE 159 Ca 0.49 -0.36 -0.19 0.00 -1.04 0.00 0.00 56.93 55.82 2pdt s PHE 159 Cb -0.28 -0.12 -0.03 0.00 -1.21 0.00 0.00 43.02 41.38 2pdt s PHE 159 CO 0.34 -0.29 0.55 0.08 -1.34 0.00 0.00 175.22 174.57 2pdt s VAL 160 N -1.80 5.10 -0.26 -2.49 1.01 -1.26 -1.54 120.40 119.16 2pdt s VAL 160 Ca -0.12 1.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.87 2pdt s VAL 160 Cb -0.06 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.44 2pdt s VAL 160 CO -0.01 0.20 0.01 0.21 0.00 0.00 0.00 175.10 175.51 2pdt s ASN 161 N 1.00 4.69 -0.67 3.32 3.84 0.21 -4.24 114.94 123.10 2pdt s ASN 161 Ca 0.27 -0.59 -0.19 0.00 0.21 0.00 0.00 52.86 52.56 2pdt s ASN 161 Cb -0.16 -1.79 0.11 0.00 -0.55 0.00 0.00 41.25 38.86 2pdt s ASN 161 CO 0.11 -0.11 0.83 0.12 -2.79 0.00 0.00 177.10 175.26 2pdt s PHE 162 N 1.47 2.98 -0.18 0.43 2.19 0.72 -1.33 117.98 124.26 2pdt s PHE 162 Ca 0.04 -0.98 -0.08 0.00 0.33 0.00 0.00 56.93 56.23 2pdt s PHE 162 Cb -0.16 -4.11 -0.04 0.00 -1.31 0.00 0.00 43.02 37.40 2pdt s PHE 162 CO -0.01 -1.39 0.10 -1.17 1.83 0.00 0.00 175.22 174.58 2pdt s LEU 163 N 2.88 4.05 -0.07 6.12 2.96 -0.33 -2.57 118.68 131.72 2pdt s LEU 163 Ca 0.17 0.20 0.03 0.00 -0.22 0.00 0.00 54.13 54.32 2pdt s LEU 163 Cb -0.19 -2.03 0.01 0.00 0.50 0.00 0.00 46.19 44.48 2pdt s LEU 163 CO 0.04 0.22 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.23 2pdt s THR 164 N 0.12 1.46 -0.05 3.68 2.01 -0.75 -1.21 115.64 120.90 2pdt s THR 164 Ca 0.07 -0.68 0.04 0.00 0.31 0.00 0.00 61.69 61.43 2pdt s THR 164 Cb -0.12 -1.29 -0.00 0.00 0.01 0.00 0.00 72.50 71.10 2pdt s THR 164 CO -0.00 0.43 -0.18 -0.04 -0.69 0.00 0.00 174.62 174.13 2pdt s MET 165 N 0.45 1.95 -0.04 4.92 -1.94 -0.60 -0.32 119.30 123.72 2pdt s MET 165 Ca -0.14 -0.65 0.00 0.00 -1.71 0.00 0.00 55.69 53.19 2pdt s MET 165 Cb -0.16 -1.66 0.03 0.00 2.01 0.00 0.00 34.83 35.05 2pdt s MET 165 CO 0.05 0.24 -0.00 0.42 -0.01 0.00 0.00 175.02 175.72 2pdt s ILE 166 N 0.07 0.24 0.50 2.53 1.01 -0.21 -2.22 121.20 123.13 2pdt s ILE 166 Ca -0.05 0.09 -0.22 0.00 0.00 0.00 0.00 60.65 60.47 2pdt s ILE 166 Cb -0.12 -0.35 -0.06 0.00 0.01 0.00 0.00 42.46 41.94 2pdt s ILE 166 CO 0.03 0.18 1.22 -2.16 0.00 0.00 0.00 174.94 174.21 2pdt s PRO 167 N 1.25 3.47 0.01 2.79 0.04 -1.26 -0.98 135.00 140.32 2pdt s PRO 167 Ca -0.06 1.89 0.05 0.00 0.04 0.00 0.00 61.00 62.92 2pdt s PRO 167 Cb -0.13 -2.28 -0.01 0.00 0.04 0.00 0.00 34.50 32.11 2pdt s PRO 167 CO -0.02 -0.83 -0.14 0.08 0.04 0.00 0.00 177.00 176.13 2pdt s VAL 168 N -1.50 1.13 -0.06 -0.36 1.01 0.51 -4.86 120.40 116.28 2pdt s VAL 168 Ca 0.68 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.82 2pdt s VAL 168 Cb -0.32 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 2pdt s VAL 168 CO 0.37 0.21 0.24 -0.13 0.00 0.00 0.00 175.10 175.80 2pdt s ARG 169 N -0.62 3.59 0.00 2.72 0.52 -1.26 -1.20 118.95 122.69 2pdt s ARG 169 Ca 0.04 0.01 0.00 0.00 -0.52 0.00 0.00 55.73 55.27 2pdt s ARG 169 Cb -0.06 -3.17 0.00 0.00 0.52 0.00 0.00 34.95 32.24 2pdt s ARG 169 CO 0.00 0.72 0.00 -0.40 0.02 0.00 0.00 175.30 175.64 2pdt n ASP 170 N 1.70 0.00 0.30 0.23 5.68 -1.03 -4.88 116.55 118.53 2pdt n ASP 170 Ca -0.16 -0.86 0.20 0.00 -0.50 0.00 0.00 54.79 53.47 2pdt n ASP 170 Cb 0.54 0.00 0.98 0.00 -1.14 0.00 0.00 41.12 41.50 2pdt n ASP 170 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2pdt h GLU 171 N 0.00 0.00 0.00 0.11 4.39 -1.99 -0.56 114.58 116.53 2pdt h GLU 171 Ca 0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 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 0.00 -0.25 1.15 -1.16 0.00 0.00 179.01 178.75 2pdt h THR 172 N 0.00 0.78 0.00 1.13 2.02 -2.03 -3.46 112.91 111.35 2pdt h THR 172 Ca 0.00 -1.01 0.00 0.00 0.77 0.00 0.00 66.41 66.17 2pdt h THR 172 Cb 0.16 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 2pdt h THR 172 CO 0.00 0.24 0.00 0.61 0.37 0.00 0.00 175.52 176.74 2pdt n GLY 173 N -0.28 0.41 3.83 2.16 0.00 -0.22 -5.06 105.19 106.03 2pdt n GLY 173 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.88 3.00 0.02 1.61 2.02 -1.26 -4.83 118.70 118.38 2pdt s GLU 174 Ca 0.00 -0.86 -0.30 0.00 0.02 0.00 0.00 54.97 53.83 2pdt s GLU 174 Cb 0.00 -2.69 -0.08 0.00 0.10 0.00 0.00 34.13 31.46 2pdt s GLU 174 CO 0.00 0.47 1.92 0.71 0.02 0.00 0.00 175.26 178.39 2pdt s TYR 175 N -1.82 1.38 0.00 1.61 2.02 -1.26 -2.47 117.35 116.80 2pdt s TYR 175 Ca 0.32 -0.37 0.00 0.00 -0.37 0.00 0.00 57.07 56.65 2pdt s TYR 175 Cb -0.10 -4.20 0.00 0.00 -0.40 0.00 0.00 41.96 37.26 2pdt s TYR 175 CO 0.25 -5.33 0.00 -2.13 -1.57 0.00 0.00 175.55 166.77 2pdt n ARG 176 N 7.49 1.89 -4.56 -0.62 3.00 -0.34 -4.93 116.66 118.58 2pdt n ARG 176 Ca 0.20 0.00 -0.26 0.00 -0.00 0.00 0.00 57.85 57.78 2pdt n ARG 176 Cb 0.41 -0.96 -0.09 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 -1.92 1.92 -0.03 -0.14 1.51 -0.94 -1.03 117.35 116.71 2pdt s TYR 177 Ca 0.00 -1.07 -0.00 0.00 -1.01 0.00 0.00 57.07 54.99 2pdt s TYR 177 Cb 0.00 -1.35 0.03 0.00 -0.11 0.00 0.00 41.96 40.53 2pdt s TYR 177 CO 0.00 -0.03 0.02 0.45 -1.11 0.00 0.00 175.55 174.88 2pdt s SER 178 N -3.65 0.40 -0.17 2.29 0.15 -0.79 -0.37 113.70 111.58 2pdt s SER 178 Ca 0.24 0.02 -0.04 0.00 0.70 0.00 0.00 55.95 56.86 2pdt s SER 178 Cb 0.05 -0.15 -0.03 0.00 -1.71 0.00 0.00 66.02 64.18 2pdt s SER 178 CO 0.12 -0.14 -0.03 -0.32 1.20 0.00 0.00 173.24 174.08 2pdt s MET 179 N 1.23 3.66 0.01 5.44 1.75 -0.15 -1.13 119.30 130.10 2pdt s MET 179 Ca -0.07 -0.52 0.02 0.00 -1.25 0.00 0.00 55.69 53.87 2pdt s MET 179 Cb -0.13 -2.96 -0.04 0.00 2.84 0.00 0.00 34.83 34.54 2pdt s MET 179 CO -0.03 0.18 -0.02 0.20 -0.65 0.00 0.00 175.02 174.71 2pdt s GLY 180 N 0.53 1.85 -0.18 2.11 0.00 -0.29 -1.04 107.32 110.30 2pdt s GLY 180 Ca -0.02 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 43.73 2pdt s GLY 180 CO 0.02 -0.85 -0.17 -1.36 0.00 0.00 0.00 173.10 170.74 2pdt s PHE 181 N -1.08 2.65 -0.09 1.90 0.08 0.56 -1.62 117.98 120.38 2pdt s PHE 181 Ca 0.19 -1.59 -0.02 0.00 0.12 0.00 0.00 56.93 55.63 2pdt s PHE 181 Cb -0.11 -1.83 -0.03 0.00 -0.57 0.00 0.00 43.02 40.47 2pdt s PHE 181 CO 0.10 -0.78 -0.00 -0.65 -0.10 0.00 0.00 175.22 173.79 2pdt s GLN 182 N 1.33 3.03 -0.07 0.44 1.11 0.09 -1.82 119.66 123.78 2pdt s GLN 182 Ca 0.04 -0.42 -0.03 0.00 0.01 0.00 0.00 55.36 54.96 2pdt s GLN 182 Cb -0.14 -2.80 0.04 0.00 -1.01 0.00 0.00 33.01 29.10 2pdt s GLN 182 CO -0.12 0.67 0.13 0.00 0.01 0.00 0.00 175.29 175.98