#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dll n LYS 2 N 0.00 -0.20 -3.94 2.12 5.02 -1.26 -4.57 118.16 115.33 3dll n LYS 2 Ca 0.00 -0.03 0.02 0.00 -2.02 0.00 0.00 58.31 56.27 3dll n LYS 2 Cb 0.00 -1.59 0.01 0.00 -0.02 0.00 0.00 35.03 33.43 3dll n LYS 2 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3dll s GLY 3 N -1.70 -0.11 0.16 0.72 0.00 -1.26 -1.19 107.32 103.94 3dll s GLY 3 Ca 0.52 0.03 -0.25 0.00 0.00 0.00 0.00 44.72 45.02 3dll s GLY 3 CO 0.72 4.57 0.88 -1.50 0.00 0.00 0.00 173.10 177.78 3dll s ILE 4 N -2.09 0.00 0.00 0.90 2.07 0.25 -4.92 121.20 117.42 3dll s ILE 4 Ca 0.27 -0.62 0.02 0.00 -1.41 0.00 0.00 60.65 58.91 3dll s ILE 4 Cb -0.00 -1.83 -0.04 0.00 0.13 0.00 0.00 42.46 40.73 3dll s ILE 4 CO 0.00 0.00 -0.03 -0.76 -1.91 0.00 0.00 174.94 172.24 3dll s LEU 5 N -2.87 3.37 0.00 8.50 1.02 -1.26 -0.91 118.68 126.53 3dll s LEU 5 Ca 0.11 -0.07 -0.04 0.00 0.02 0.00 0.00 54.13 54.14 3dll s LEU 5 Cb -0.02 -1.93 0.02 0.00 0.02 0.00 0.00 46.19 44.27 3dll s LEU 5 CO 0.01 0.28 0.51 0.61 0.02 0.00 0.00 176.35 177.78 3dll n GLY 6 N 1.45 1.94 3.14 -3.19 0.00 -0.88 -2.81 105.19 104.83 3dll n GLY 6 Ca -0.15 -1.52 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 3dll n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dll s THR 7 N -2.66 2.01 0.19 2.61 2.01 -0.66 -2.24 115.64 116.90 3dll s THR 7 Ca 0.24 -0.93 -0.32 0.00 0.31 0.00 0.00 61.69 60.99 3dll s THR 7 Cb -0.02 -1.79 -0.12 0.00 0.01 0.00 0.00 72.50 70.58 3dll s THR 7 CO 0.17 0.54 1.70 1.17 -0.69 0.00 0.00 174.62 177.51 3dll n LYS 8 N 4.31 2.64 -0.03 4.92 4.81 -1.08 -3.21 118.16 130.52 3dll n LYS 8 Ca -0.20 0.95 -0.01 0.00 -0.87 0.00 0.00 58.31 58.19 3dll n LYS 8 Cb 0.51 -2.79 -0.09 0.00 0.02 0.00 0.00 35.03 32.68 3dll n LYS 8 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 3dll n ILE 9 N 3.90 0.44 0.00 3.15 5.41 -0.96 -1.71 119.36 129.59 3dll n ILE 9 Ca 0.16 -0.39 0.00 0.00 1.00 0.00 0.00 62.75 63.53 3dll n ILE 9 Cb 0.34 -0.31 0.00 0.00 -0.71 0.00 0.00 39.64 38.96 3dll n ILE 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3dll n GLY 10 N 2.10 2.51 3.79 7.39 0.00 -1.00 -4.89 105.19 115.10 3dll n GLY 10 Ca -0.11 -1.34 -0.23 0.00 0.00 0.00 0.00 46.02 44.34 3dll n GLY 10 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3dll s MET 11 N -2.00 2.37 -0.14 1.61 -1.94 -1.26 0.15 119.30 118.09 3dll s MET 11 Ca 0.00 -1.68 -0.34 0.00 -1.71 0.00 0.00 55.69 51.96 3dll s MET 11 Cb 0.00 -2.17 0.14 0.00 2.01 0.00 0.00 34.83 34.81 3dll s MET 11 CO 0.00 -0.12 1.31 -0.08 -0.01 0.00 0.00 175.02 176.13 3dll s THR 12 N -2.52 0.00 0.09 2.05 -1.32 -0.51 -4.83 115.64 108.60 3dll s THR 12 Ca 0.43 -0.07 -0.20 0.00 -1.21 0.00 0.00 61.69 60.64 3dll s THR 12 Cb 0.00 -1.49 -0.07 0.00 -1.51 0.00 0.00 72.50 69.43 3dll s THR 12 CO 0.25 0.00 0.60 -1.58 -2.21 0.00 0.00 174.62 171.68 3dll s GLN 13 N -2.27 4.24 0.07 7.08 0.74 -1.26 -2.06 119.66 126.21 3dll s GLN 13 Ca 0.12 0.79 -0.13 0.00 0.05 0.00 0.00 55.36 56.20 3dll s GLN 13 Cb 0.02 -3.21 0.02 0.00 1.10 0.00 0.00 33.01 30.93 3dll s GLN 13 CO -0.04 0.62 0.28 0.42 -0.55 0.00 0.00 175.29 176.02 3dll s ILE 14 N -1.15 0.10 -0.26 -2.34 -1.09 -0.78 -4.95 121.20 110.73 3dll s ILE 14 Ca 0.31 -0.81 0.03 0.00 -2.23 0.00 0.00 60.65 57.95 3dll s ILE 14 Cb -0.20 -1.08 0.06 0.00 -1.58 0.00 0.00 42.46 39.66 3dll s ILE 14 CO 0.20 -0.45 -0.10 0.26 -1.23 0.00 0.00 174.94 173.63 3dll s TRP 15 N -3.12 3.21 -0.57 3.97 0.51 -1.26 -0.52 118.94 121.16 3dll s TRP 15 Ca -0.01 -2.31 -0.11 0.00 -2.12 0.00 0.00 56.10 51.56 3dll s TRP 15 Cb 0.01 -1.94 0.15 0.00 -0.81 0.00 0.00 33.47 30.88 3dll s TRP 15 CO -0.07 -0.87 0.47 0.21 -0.51 0.00 0.00 176.95 176.18 3dll s LYS 16 N 1.12 2.82 1.08 4.98 2.20 -1.05 -4.86 119.74 126.03 3dll s LYS 16 Ca -0.08 -1.98 0.00 0.00 -0.36 0.00 0.00 55.97 53.55 3dll s LYS 16 Cb -0.20 -4.08 0.00 0.00 -1.51 0.00 0.00 37.83 32.04 3dll s LYS 16 CO -0.05 -1.24 0.00 0.09 -0.36 0.00 0.00 175.35 173.79 3dll n ASN 17 N 4.63 0.00 0.00 1.43 4.13 -1.26 -3.76 115.26 120.43 3dll n ASN 17 Ca -0.03 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.23 3dll n ASN 17 Cb 0.41 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.65 3dll n ASN 17 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 3dll n ASP 18 N 1.83 0.03 -4.86 6.41 8.00 -1.26 -5.03 116.55 121.67 3dll n ASP 18 Ca 0.00 -0.20 -0.36 0.00 0.71 0.00 0.00 54.79 54.94 3dll n ASP 18 Cb 0.00 0.40 -0.06 0.00 -0.02 0.00 0.00 41.12 41.44 3dll n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dll s ARG 19 N -0.40 3.69 -0.46 -1.24 1.70 -1.25 -5.04 118.95 115.95 3dll s ARG 19 Ca 0.00 0.12 -0.22 0.00 -0.47 0.00 0.00 55.73 55.15 3dll s ARG 19 Cb 0.00 -3.14 0.03 0.00 -0.57 0.00 0.00 34.95 31.27 3dll s ARG 19 CO 0.00 0.68 0.76 0.00 -1.08 0.00 0.00 175.30 175.66 3dll s ALA 20 N -1.18 3.29 -0.05 7.88 0.00 -1.26 -2.54 121.76 127.90 3dll s ALA 20 Ca 0.24 -1.12 -0.22 0.00 0.00 0.00 0.00 51.96 50.86 3dll s ALA 20 Cb -0.14 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 3dll s ALA 20 CO 0.13 -1.96 0.63 0.42 0.00 0.00 0.00 175.76 174.98 3dll s ILE 21 N 3.23 5.02 -0.42 0.00 1.09 0.33 -4.90 121.20 125.55 3dll s ILE 21 Ca 0.27 1.30 -0.20 0.00 -1.10 0.00 0.00 60.65 60.93 3dll s ILE 21 Cb -0.13 -3.97 0.02 0.00 -1.06 0.00 0.00 42.46 37.32 3dll s ILE 21 CO 0.21 0.32 0.59 -2.16 -0.10 0.00 0.00 174.94 173.80 3dll s PRO 22 N 0.42 3.34 0.33 2.79 0.04 -1.26 -1.86 135.00 138.79 3dll s PRO 22 Ca 0.33 -0.36 0.07 0.00 0.04 0.00 0.00 61.00 61.09 3dll s PRO 22 Cb -0.18 -3.92 -0.03 0.00 0.04 0.00 0.00 34.50 30.42 3dll s PRO 22 CO 0.17 -0.91 0.28 0.14 0.04 0.00 0.00 177.00 176.71 3dll s VAL 23 N 2.65 3.63 -0.56 -0.36 -7.23 -0.87 -1.34 120.40 116.31 3dll s VAL 23 Ca 0.21 -1.39 0.04 0.00 -1.81 0.00 0.00 61.98 59.03 3dll s VAL 23 Cb -0.15 -3.20 0.15 0.00 0.56 0.00 0.00 36.38 33.74 3dll s VAL 23 CO 0.17 -0.20 0.36 -0.89 -0.31 0.00 0.00 175.10 174.23 3dll s THR 24 N -2.29 2.20 0.23 5.32 2.01 -0.39 -1.42 115.64 121.29 3dll s THR 24 Ca 0.40 -3.45 -0.28 0.00 0.31 0.00 0.00 61.69 58.66 3dll s THR 24 Cb -0.06 -2.49 -0.16 0.00 0.01 0.00 0.00 72.50 69.80 3dll s THR 24 CO 0.26 -0.95 0.74 0.52 -0.69 0.00 0.00 174.62 174.50 3dll n VAL 25 N 2.73 1.93 -3.77 3.82 0.31 0.38 -4.16 118.33 119.58 3dll n VAL 25 Ca 0.14 -0.48 -0.10 0.00 -0.01 0.00 0.00 64.34 63.89 3dll n VAL 25 Cb 0.35 -0.41 -0.06 0.00 -0.91 0.00 0.00 33.84 32.81 3dll n VAL 25 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3dll s VAL 26 N -0.98 0.10 -0.11 2.52 1.01 -0.79 -2.27 120.40 119.88 3dll s VAL 26 Ca 0.63 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.66 3dll s VAL 26 Cb -0.84 -1.33 0.04 0.00 0.00 0.00 0.00 36.38 34.25 3dll s VAL 26 CO 0.57 -0.45 0.02 -1.48 0.00 0.00 0.00 175.10 173.77 3dll s LEU 27 N -2.85 0.68 -0.65 3.92 2.34 -1.20 -1.20 118.68 119.73 3dll s LEU 27 Ca 0.05 -0.30 -0.18 0.00 0.06 0.00 0.00 54.13 53.77 3dll s LEU 27 Cb 0.03 -0.44 0.13 0.00 -0.56 0.00 0.00 46.19 45.35 3dll s LEU 27 CO -0.10 -0.24 0.72 0.00 -1.06 0.00 0.00 176.35 175.67 3dll s ALA 28 N 1.97 3.53 1.10 1.48 0.00 0.14 -1.65 121.76 128.33 3dll s ALA 28 Ca 0.03 -2.47 -0.14 0.00 0.00 0.00 0.00 51.96 49.38 3dll s ALA 28 Cb -0.14 -3.54 0.24 0.00 0.00 0.00 0.00 23.12 19.68 3dll s ALA 28 CO -0.06 -2.35 1.08 0.20 0.00 0.00 0.00 175.76 174.62 3dll s GLY 29 N 3.43 1.55 0.17 0.00 0.00 -1.13 -4.51 107.32 106.85 3dll s GLY 29 Ca 0.13 -0.47 -0.31 0.00 0.00 0.00 0.00 44.72 44.07 3dll s GLY 29 CO 0.02 0.24 1.47 2.56 0.00 0.00 0.00 173.10 177.39 3dll s PRO 30 N -4.96 4.27 -0.12 2.90 0.04 -1.26 -4.73 135.00 131.14 3dll s PRO 30 Ca 0.67 2.25 0.03 0.00 0.04 0.00 0.00 61.00 63.98 3dll s PRO 30 Cb -0.18 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.19 3dll s PRO 30 CO 0.59 -0.49 -0.21 0.00 0.04 0.00 0.00 177.00 176.93 3dll s PRO 32 N 0.54 3.21 -0.03 0.00 0.02 -1.22 -1.81 135.00 135.70 3dll s PRO 32 Ca -0.13 -0.87 0.01 0.00 0.02 0.00 0.00 61.00 60.03 3dll s PRO 32 Cb -0.17 -2.75 -0.03 0.00 0.02 0.00 0.00 34.50 31.56 3dll s PRO 32 CO 0.04 0.43 -0.02 0.96 -0.33 0.00 0.00 177.00 178.08 3dll s ILE 33 N -2.00 4.05 -0.08 2.83 -5.25 -1.26 0.13 121.20 119.61 3dll s ILE 33 Ca 0.33 -0.52 0.12 0.00 -0.99 0.00 0.00 60.65 59.60 3dll s ILE 33 Cb -0.09 -2.75 0.22 0.00 2.95 0.00 0.00 42.46 42.79 3dll s ILE 33 CO 0.27 0.47 1.11 1.33 -1.79 0.00 0.00 174.94 176.33 3dll n VAL 34 N 1.73 1.14 -3.65 8.37 0.24 -0.47 -4.94 118.33 120.75 3dll n VAL 34 Ca -0.16 -1.51 -0.02 0.00 -2.04 0.00 0.00 64.34 60.61 3dll n VAL 34 Cb 0.53 0.11 -0.04 0.00 -1.47 0.00 0.00 33.84 32.97 3dll n VAL 34 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3dll s GLN 35 N -1.72 0.03 -0.46 7.34 0.74 -1.26 -4.91 119.66 119.42 3dll s GLN 35 Ca 0.22 0.00 0.09 0.00 0.05 0.00 0.00 55.36 55.72 3dll s GLN 35 Cb 0.20 0.01 0.37 0.00 1.10 0.00 0.00 33.01 34.69 3dll s GLN 35 CO -0.01 -0.01 0.89 0.54 -0.55 0.00 0.00 175.29 176.16 3dll n ARG 36 N 0.40 2.25 -0.80 1.67 1.74 -1.26 -2.64 116.66 118.02 3dll n ARG 36 Ca 0.02 -4.13 -0.31 0.00 -0.77 0.00 0.00 57.85 52.65 3dll n ARG 36 Cb 0.58 -1.95 -0.04 0.00 -1.02 0.00 0.00 32.46 30.03 3dll n ARG 36 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3dll n LYS 37 N -0.07 0.00 -4.27 5.56 4.76 -0.95 -4.68 118.16 118.51 3dll n LYS 37 Ca 0.28 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.51 3dll n LYS 37 Cb 0.56 -0.74 -0.16 0.00 -1.84 0.00 0.00 35.03 32.85 3dll n LYS 37 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3dll s THR 38 N 0.64 0.67 0.08 -0.18 2.01 -1.21 -0.20 115.64 117.45 3dll s THR 38 Ca 0.48 -0.22 0.04 0.00 0.31 0.00 0.00 61.69 62.31 3dll s THR 38 Cb -0.68 -0.66 0.04 0.00 0.01 0.00 0.00 72.50 71.22 3dll s THR 38 CO 0.34 0.25 0.90 0.00 -0.69 0.00 0.00 174.62 175.42 3dll n ALA 39 N 3.89 0.27 -2.91 7.40 0.00 -1.25 0.12 120.51 128.03 3dll n ALA 39 Ca -0.24 0.04 -0.30 0.00 0.00 0.00 0.00 53.44 52.94 3dll n ALA 39 Cb 0.51 -0.33 -0.03 0.00 0.00 0.00 0.00 19.45 19.61 3dll n ALA 39 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3dll n GLN 40 N -1.70 3.72 0.00 0.00 0.00 -1.26 -4.19 117.38 113.95 3dll n GLN 40 Ca -0.00 -4.81 0.00 0.00 -0.00 0.00 0.00 57.00 52.19 3dll n GLN 40 Cb 0.51 -2.30 0.00 0.00 0.00 0.00 0.00 30.24 28.45 3dll n GLN 40 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 3dll n THR 41 N -0.11 0.00 0.87 1.69 -2.24 0.12 -4.89 114.28 109.72 3dll n THR 41 Ca 0.34 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.24 3dll n THR 41 Cb 0.36 0.00 0.52 0.00 -2.10 0.00 0.00 70.33 69.11 3dll n THR 41 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3dll n ASP 42 N 0.00 0.00 0.00 3.42 9.92 -0.94 -4.91 116.55 124.04 3dll n ASP 42 Ca 0.00 0.38 0.00 0.00 -0.53 0.00 0.00 54.79 54.64 3dll n ASP 42 Cb 0.00 -0.46 0.00 0.00 -0.64 0.00 0.00 41.12 40.02 3dll n ASP 42 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3dll n GLY 43 N 0.88 0.75 3.55 0.44 0.00 -0.98 -4.91 105.19 104.92 3dll n GLY 43 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 3dll n GLY 43 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dll s TYR 44 N -2.58 -0.94 0.58 1.61 -0.00 -1.24 -4.52 117.35 110.25 3dll s TYR 44 Ca 0.00 1.69 -0.18 0.00 -0.00 0.00 0.00 57.07 58.58 3dll s TYR 44 Cb 0.00 0.57 -0.07 0.00 -0.00 0.00 0.00 41.96 42.45 3dll s TYR 44 CO 0.00 -0.47 0.66 0.39 -0.00 0.00 0.00 175.55 176.13 3dll n GLU 45 N 4.89 0.62 0.00 -3.49 -0.58 -1.26 -3.34 120.64 117.48 3dll n GLU 45 Ca -0.13 0.24 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 3dll n GLU 45 Cb 0.53 -1.84 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 3dll n GLU 45 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3dll n ALA 46 N -1.72 0.00 -2.77 0.62 0.00 0.73 -4.26 120.51 113.11 3dll n ALA 46 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.47 3dll n ALA 46 Cb 0.47 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.83 3dll n ALA 46 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3dll s VAL 47 N -2.00 0.12 -0.64 0.00 1.01 -1.26 -2.23 120.40 115.41 3dll s VAL 47 Ca 0.00 -1.03 0.05 0.00 0.00 0.00 0.00 61.98 61.00 3dll s VAL 47 Cb 0.00 -0.88 0.19 0.00 0.00 0.00 0.00 36.38 35.69 3dll s VAL 47 CO 0.00 -0.57 0.53 1.67 0.00 0.00 0.00 175.10 176.73 3dll n GLN 48 N 0.78 1.69 -1.66 2.72 7.27 -1.08 -0.54 117.38 126.56 3dll n GLN 48 Ca -0.19 -4.28 -0.29 0.00 0.07 0.00 0.00 57.00 52.31 3dll n GLN 48 Cb 0.58 -2.14 0.10 0.00 2.41 0.00 0.00 30.24 31.19 3dll n GLN 48 CO 0.00 0.00 0.00 -1.50 0.07 0.00 0.00 177.06 175.63 3dll s ILE 49 N -1.44 2.47 -0.03 1.69 -1.16 -1.12 -1.37 121.20 120.24 3dll s ILE 49 Ca 0.29 0.15 -0.04 0.00 -0.51 0.00 0.00 60.65 60.55 3dll s ILE 49 Cb 0.02 -2.98 0.01 0.00 0.61 0.00 0.00 42.46 40.11 3dll s ILE 49 CO -0.14 -0.20 0.10 -0.83 -2.81 0.00 0.00 174.94 171.06 3dll s GLY 50 N -4.15 -0.04 0.24 1.50 0.00 0.34 -2.08 107.32 103.13 3dll s GLY 50 Ca 0.62 0.19 0.11 0.00 0.00 0.00 0.00 44.72 45.64 3dll s GLY 50 CO 0.52 0.14 -0.20 -0.47 0.00 0.00 0.00 173.10 173.09 3dll s TYR 51 N -0.19 2.16 -0.05 1.90 5.04 -0.72 -3.44 117.35 122.04 3dll s TYR 51 Ca -0.03 -0.39 -0.04 0.00 -2.44 0.00 0.00 57.07 54.18 3dll s TYR 51 Cb -0.02 -0.98 0.01 0.00 0.35 0.00 0.00 41.96 41.32 3dll s TYR 51 CO 0.00 0.58 0.07 0.00 -1.34 0.00 0.00 175.55 174.87 3dll n ALA 52 N -0.32 -3.01 -0.59 3.97 0.00 -1.26 -2.76 120.51 116.54 3dll n ALA 52 Ca -0.08 0.78 -0.31 0.00 0.00 0.00 0.00 53.44 53.83 3dll n ALA 52 Cb 0.59 -1.61 0.21 0.00 0.00 0.00 0.00 19.45 18.64 3dll n ALA 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3dll n PRO 53 N 0.82 -2.05 -3.68 0.00 -0.04 -1.23 -3.24 135.00 125.57 3dll n PRO 53 Ca -0.12 -0.58 -0.13 0.00 -0.04 0.00 0.00 63.50 62.64 3dll n PRO 53 Cb 0.18 -1.88 -0.09 0.00 -0.04 0.00 0.00 33.50 31.68 3dll n PRO 53 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3dll s LYS 54 N -3.81 0.63 0.11 0.54 2.20 -0.33 -4.67 119.74 114.42 3dll s LYS 54 Ca 0.61 0.81 -0.32 0.00 -0.36 0.00 0.00 55.97 56.71 3dll s LYS 54 Cb -0.17 0.27 -0.12 0.00 -1.51 0.00 0.00 37.83 36.30 3dll s LYS 54 CO 0.66 -0.09 1.78 0.00 -0.36 0.00 0.00 175.35 177.34 3dll n ALA 55 N 3.04 1.89 -0.15 3.13 0.00 -1.26 -4.50 120.51 122.66 3dll n ALA 55 Ca -0.15 0.35 0.14 0.00 0.00 0.00 0.00 53.44 53.78 3dll n ALA 55 Cb 0.56 -2.52 0.49 0.00 0.00 0.00 0.00 19.45 17.98 3dll n ALA 55 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3dll h GLU 56 N 7.93 0.43 0.00 0.00 5.08 -1.99 -0.85 114.58 125.18 3dll h GLU 56 Ca -0.46 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 3dll h GLU 56 Cb 1.23 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3dll h GLU 56 CO 0.94 0.28 0.00 0.07 -1.00 0.00 0.00 179.01 179.30 3dll h ARG 57 N 0.44 0.00 -1.11 2.33 0.11 -2.04 -2.33 114.38 111.79 3dll h ARG 57 Ca 0.35 0.00 -0.65 0.00 0.10 0.00 0.00 59.98 59.78 3dll h ARG 57 Cb 0.75 0.00 -0.34 0.00 1.11 0.00 0.00 29.97 31.49 3dll h ARG 57 CO -0.11 0.00 0.29 1.63 0.10 0.00 0.00 179.97 181.87 3dll n LYS 58 N -3.00 3.03 -5.12 0.08 5.02 -0.33 -4.99 118.16 112.85 3dll n LYS 58 Ca -0.02 -3.67 -0.30 0.00 -2.02 0.00 0.00 58.31 52.30 3dll n LYS 58 Cb 0.15 -2.28 -0.15 0.00 -0.02 0.00 0.00 35.03 32.72 3dll n LYS 58 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3dll s VAL 59 N -4.85 2.05 -0.06 -0.18 1.01 -0.88 -4.91 120.40 112.58 3dll s VAL 59 Ca 0.58 -1.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 3dll s VAL 59 Cb 0.46 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 3dll s VAL 59 CO -0.07 0.48 1.28 0.20 0.00 0.00 0.00 175.10 177.00 3dll s ASN 60 N -0.86 6.96 0.30 3.32 -0.87 -1.26 -4.83 114.94 117.70 3dll s ASN 60 Ca 0.10 1.89 0.06 0.00 -1.57 0.00 0.00 52.86 53.34 3dll s ASN 60 Cb -0.10 -2.55 0.84 0.00 -0.02 0.00 0.00 41.25 39.41 3dll s ASN 60 CO 0.00 -0.67 1.46 1.17 -2.57 0.00 0.00 177.10 176.50 3dll n LYS 61 N 5.57 -0.07 0.32 -0.60 4.81 -1.26 0.30 118.16 127.23 3dll n LYS 61 Ca 0.12 1.37 -0.12 0.00 -0.87 0.00 0.00 58.31 58.81 3dll n LYS 61 Cb 0.45 -2.24 -0.06 0.00 0.02 0.00 0.00 35.03 33.20 3dll n LYS 61 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3dll h PRO 62 N 0.00 -0.78 0.00 1.64 0.11 -2.02 -1.63 132.00 129.32 3dll h PRO 62 Ca 0.62 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.78 3dll h PRO 62 Cb 1.38 0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.67 3dll h PRO 62 CO -0.84 -0.52 0.14 -1.33 -0.21 0.00 0.00 178.00 175.24 3dll n MET 63 N -4.29 0.11 0.01 1.05 2.81 0.22 -2.97 117.12 114.04 3dll n MET 63 Ca -0.10 0.59 -0.00 0.00 -1.81 0.00 0.00 57.70 56.38 3dll n MET 63 Cb 0.32 -2.00 -0.00 0.00 -0.71 0.00 0.00 33.22 30.83 3dll n MET 63 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 3dll h GLN 64 N 0.00 -0.02 0.00 0.03 4.20 0.55 -3.25 115.11 116.62 3dll h GLN 64 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3dll h GLN 64 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 3dll h GLN 64 CO 0.00 -0.01 0.78 0.78 -0.67 0.00 0.00 178.83 179.71 3dll h GLY 65 N -0.04 0.00 0.25 3.46 0.00 -1.37 0.43 103.07 105.80 3dll h GLY 65 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3dll h GLY 65 CO 0.00 0.00 -0.12 0.84 0.00 0.00 0.00 176.54 177.26 3dll h HIS 66 N 0.00 -0.31 -0.60 5.60 -0.00 -1.63 2.10 115.15 120.31 3dll h HIS 66 Ca 0.00 -0.01 0.10 0.00 -0.00 0.00 0.00 60.37 60.46 3dll h HIS 66 Cb 1.57 0.10 -0.08 0.00 -0.00 0.00 0.00 27.41 29.00 3dll h HIS 66 CO 0.00 -0.19 0.20 0.74 -0.00 0.00 0.00 177.93 178.68 3dll h PHE 67 N -0.64 0.35 0.02 5.26 0.04 -0.80 -2.70 116.94 118.47 3dll h PHE 67 Ca -0.03 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.78 3dll h PHE 67 Cb 0.26 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.32 3dll h PHE 67 CO 0.05 0.06 -0.26 0.00 -0.60 0.00 0.00 178.31 177.57 3dll h ALA 68 N 1.43 -0.73 0.00 2.45 0.00 -0.22 -2.43 119.26 119.77 3dll h ALA 68 Ca 0.31 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 3dll h ALA 68 Cb 0.40 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3dll h ALA 68 CO -0.33 -0.80 0.44 1.17 0.00 0.00 0.00 179.25 179.73 3dll n LYS 69 N -3.90 0.55 0.00 0.00 0.00 0.71 0.32 118.16 115.83 3dll n LYS 69 Ca -0.04 -0.33 0.00 0.00 0.00 0.00 0.00 58.31 57.95 3dll n LYS 69 Cb 0.19 -1.69 0.00 0.00 0.00 0.00 0.00 35.03 33.53 3dll n LYS 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3dll n ALA 70 N 3.08 0.00 -2.15 3.14 0.00 -0.97 -4.95 120.51 118.66 3dll n ALA 70 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.53 3dll n ALA 70 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 3dll n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dll n GLY 71 N 0.00 -0.07 0.00 0.00 0.00 0.95 -4.89 105.19 101.18 3dll n GLY 71 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3dll n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3dll n VAL 72 N -0.46 0.00 -3.61 1.61 0.31 -1.16 -5.03 118.33 109.99 3dll n VAL 72 Ca -0.02 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.20 3dll n VAL 72 Cb 0.06 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.95 3dll n VAL 72 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dll s ALA 73 N -2.21 -1.10 -0.15 3.52 0.00 -1.26 -4.98 121.76 115.58 3dll s ALA 73 Ca 0.00 0.04 -0.25 0.00 0.00 0.00 0.00 51.96 51.75 3dll s ALA 73 Cb 0.00 0.78 -0.02 0.00 0.00 0.00 0.00 23.12 23.89 3dll s ALA 73 CO 0.00 -0.72 0.81 -2.14 0.00 0.00 0.00 175.76 173.71 3dll s PRO 74 N -3.81 4.32 0.00 0.00 0.02 -1.26 -4.89 135.00 129.38 3dll s PRO 74 Ca 0.04 0.99 0.00 0.00 0.02 0.00 0.00 61.00 62.05 3dll s PRO 74 Cb 0.00 -3.56 0.00 0.00 0.02 0.00 0.00 34.50 30.97 3dll s PRO 74 CO -0.10 -0.27 0.00 -2.37 -0.33 0.00 0.00 177.00 173.93 3dll n THR 75 N 4.60 0.00 0.00 0.99 5.66 -1.26 -1.18 114.28 123.08 3dll n THR 75 Ca 0.03 0.34 0.00 0.00 -3.05 0.00 0.00 64.05 61.37 3dll n THR 75 Cb 0.49 -1.06 0.00 0.00 -1.55 0.00 0.00 70.33 68.21 3dll n THR 75 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 3dll n ARG 76 N -1.60 0.00 -4.53 1.09 1.85 -1.20 -2.21 116.66 110.05 3dll n ARG 76 Ca 0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.62 3dll n ARG 76 Cb 0.00 0.00 -0.16 0.00 -1.05 0.00 0.00 32.46 31.25 3dll n ARG 76 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 3dll s ILE 77 N -0.64 1.02 -0.02 8.89 1.01 -1.11 -5.02 121.20 125.34 3dll s ILE 77 Ca 0.00 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.22 3dll s ILE 77 Cb 0.00 -0.92 -0.00 0.00 0.01 0.00 0.00 42.46 41.55 3dll s ILE 77 CO 0.00 0.32 -0.09 -0.76 0.00 0.00 0.00 174.94 174.41 3dll s LEU 78 N 0.42 1.90 -0.06 2.97 1.43 -1.26 -1.76 118.68 122.31 3dll s LEU 78 Ca -0.09 -0.17 -0.04 0.00 -1.03 0.00 0.00 54.13 52.80 3dll s LEU 78 Cb -0.13 -0.50 0.02 0.00 0.03 0.00 0.00 46.19 45.62 3dll s LEU 78 CO 0.02 0.09 0.15 -0.13 0.23 0.00 0.00 176.35 176.70 3dll s ARG 79 N -0.01 0.15 0.84 1.70 1.81 -0.88 -5.02 118.95 117.54 3dll s ARG 79 Ca 0.00 0.26 -0.12 0.00 -1.72 0.00 0.00 55.73 54.15 3dll s ARG 79 Cb -0.06 0.00 0.10 0.00 -0.45 0.00 0.00 34.95 34.54 3dll s ARG 79 CO -0.00 -0.07 1.16 -1.21 -0.68 0.00 0.00 175.30 174.51 3dll s GLU 80 N 0.43 1.75 0.00 3.54 0.41 -1.26 -2.79 118.70 120.77 3dll s GLU 80 Ca -0.03 0.18 0.00 0.00 -0.41 0.00 0.00 54.97 54.71 3dll s GLU 80 Cb -0.04 -1.92 0.00 0.00 -1.78 0.00 0.00 34.13 30.39 3dll s GLU 80 CO -0.02 -1.76 0.00 1.19 -0.49 0.00 0.00 175.26 174.18 3dll n PHE 81 N -3.44 0.00 -1.34 1.61 3.72 0.30 -4.91 117.46 113.40 3dll n PHE 81 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 3dll n PHE 81 Cb 0.60 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.14 3dll n PHE 81 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3dll n ARG 82 N -1.26 -3.65 0.00 -1.08 1.74 -1.26 -4.55 116.66 106.59 3dll n ARG 82 Ca 0.00 2.78 0.00 0.00 -0.77 0.00 0.00 57.85 59.86 3dll n ARG 82 Cb 0.00 -3.32 0.00 0.00 -1.02 0.00 0.00 32.46 28.12 3dll n ARG 82 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dll n GLY 83 N -1.78 0.70 3.33 -0.13 0.00 -1.26 -4.86 105.19 101.19 3dll n GLY 83 Ca 0.00 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3dll n GLY 83 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3dll n PHE 84 N 0.00 -2.12 0.01 1.61 -0.00 -1.26 -4.93 117.46 110.76 3dll n PHE 84 Ca 0.00 0.37 -0.01 0.00 -0.00 0.00 0.00 57.45 57.80 3dll n PHE 84 Cb 0.00 -1.78 -0.00 0.00 -0.00 0.00 0.00 39.48 37.70 3dll n PHE 84 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3dll n ALA 85 N -1.90 2.89 -0.61 3.13 0.00 -1.26 -4.63 120.51 118.13 3dll n ALA 85 Ca 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3dll n ALA 85 Cb 0.49 0.38 0.00 0.00 0.00 0.00 0.00 19.45 20.32 3dll n ALA 85 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3dll n PRO 86 N -3.27 0.00 -3.46 0.00 -0.02 -1.26 -5.02 135.00 121.97 3dll n PRO 86 Ca -0.02 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.41 3dll n PRO 86 Cb 0.32 -0.46 -0.07 0.00 -0.02 0.00 0.00 33.50 33.27 3dll n PRO 86 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3dll s ASP 87 N -4.30 -0.43 0.00 2.55 1.11 -1.26 -5.04 116.67 109.29 3dll s ASP 87 Ca 0.00 0.80 0.00 0.00 0.18 0.00 0.00 52.55 53.53 3dll s ASP 87 Cb 0.00 1.56 0.00 0.00 1.07 0.00 0.00 42.92 45.55 3dll s ASP 87 CO 0.00 -0.26 0.00 0.61 1.18 0.00 0.00 175.17 176.70 3dll n GLY 88 N 5.40 1.24 2.97 0.21 0.00 -1.26 -4.85 105.19 108.90 3dll n GLY 88 Ca -0.06 -0.80 0.01 0.00 0.00 0.00 0.00 46.02 45.18 3dll n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dll s ASP 89 N -4.00 -0.91 0.07 1.61 1.01 -1.26 -4.72 116.67 108.47 3dll s ASP 89 Ca 0.00 -0.48 -0.04 0.00 0.71 0.00 0.00 52.55 52.74 3dll s ASP 89 Cb 0.00 1.17 -0.03 0.00 1.01 0.00 0.00 42.92 45.07 3dll s ASP 89 CO 0.00 -0.10 0.02 -0.24 0.21 0.00 0.00 175.17 175.06 3dll n SER 90 N 4.01 -0.50 -1.83 0.27 2.88 -0.75 -4.44 113.62 113.26 3dll n SER 90 Ca 0.08 0.14 -0.05 0.00 -1.33 0.00 0.00 58.87 57.72 3dll n SER 90 Cb 0.60 -0.16 0.01 0.00 -0.75 0.00 0.00 64.21 63.91 3dll n SER 90 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3dll n VAL 91 N -0.17 0.00 -0.03 2.46 0.31 -1.26 -0.60 118.33 119.04 3dll n VAL 91 Ca 0.02 -0.51 -0.10 0.00 -0.01 0.00 0.00 64.34 63.74 3dll n VAL 91 Cb 0.07 0.46 -0.14 0.00 -0.91 0.00 0.00 33.84 33.32 3dll n VAL 91 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3dll n ASN 92 N -1.36 0.88 -4.65 4.52 0.23 -1.26 -4.23 115.26 109.40 3dll n ASN 92 Ca -0.03 0.34 -0.50 0.00 -0.53 0.00 0.00 54.58 53.86 3dll n ASN 92 Cb 0.27 -0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 37.91 3dll n ASN 92 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 3dll n VAL 93 N -3.05 0.15 0.00 3.53 3.14 -1.26 -0.43 118.33 120.42 3dll n VAL 93 Ca -0.20 -0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.15 3dll n VAL 93 Cb 1.06 -1.30 0.00 0.00 -1.06 0.00 0.00 33.84 32.54 3dll n VAL 93 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3dll n ASP 94 N 4.00 0.00 -0.33 6.55 9.92 -1.26 -4.67 116.55 130.76 3dll n ASP 94 Ca 0.20 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.36 3dll n ASP 94 Cb 0.23 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.64 3dll n ASP 94 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 3dll h ILE 95 N 0.00 0.01 -3.74 0.53 5.03 -1.42 -3.36 117.51 114.57 3dll h ILE 95 Ca 0.00 0.00 -0.65 0.00 -0.12 0.00 0.00 64.86 64.09 3dll h ILE 95 Cb 0.00 0.01 -0.20 0.00 -3.03 0.00 0.00 36.82 33.60 3dll h ILE 95 CO 0.00 0.00 -0.56 -0.36 -0.68 0.00 0.00 178.15 176.55 3dll s PHE 96 N -5.64 3.16 -0.06 1.37 0.40 0.43 -5.05 117.98 112.60 3dll s PHE 96 Ca -0.13 -0.27 -0.19 0.00 -0.60 0.00 0.00 56.93 55.74 3dll s PHE 96 Cb 0.12 -2.33 -0.05 0.00 0.51 0.00 0.00 43.02 41.27 3dll s PHE 96 CO 0.64 -0.32 0.52 0.00 0.70 0.00 0.00 175.22 176.76 3dll s ALA 97 N 1.67 3.50 0.16 5.36 0.00 -1.26 -4.85 121.76 126.34 3dll s ALA 97 Ca 0.06 -0.09 -0.34 0.00 0.00 0.00 0.00 51.96 51.59 3dll s ALA 97 Cb -0.16 -2.67 -0.14 0.00 0.00 0.00 0.00 23.12 20.16 3dll s ALA 97 CO 0.07 0.12 1.61 0.39 0.00 0.00 0.00 175.76 177.95 3dll n GLU 98 N 3.09 2.25 0.00 0.00 1.02 -1.26 -0.68 120.64 125.06 3dll n GLU 98 Ca -0.08 0.81 0.00 0.00 -0.02 0.00 0.00 57.16 57.88 3dll n GLU 98 Cb 0.51 -2.59 0.00 0.00 -0.02 0.00 0.00 31.44 29.34 3dll n GLU 98 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dll n GLY 99 N 3.52 2.63 3.77 0.62 0.00 0.19 -5.01 105.19 110.92 3dll n GLY 99 Ca 0.17 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 3dll n GLY 99 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dll s GLU 100 N 0.00 4.07 0.20 1.61 2.12 0.14 -4.43 118.70 122.41 3dll s GLU 100 Ca 0.00 2.38 -0.15 0.00 0.36 0.00 0.00 54.97 57.56 3dll s GLU 100 Cb 0.00 -2.90 -0.07 0.00 0.26 0.00 0.00 34.13 31.42 3dll s GLU 100 CO 0.00 -0.49 0.61 0.15 -0.54 0.00 0.00 175.26 174.99 3dll s LYS 101 N -2.11 4.01 0.15 4.30 -0.14 -1.26 -1.11 119.74 123.59 3dll s LYS 101 Ca 0.54 0.56 0.01 0.00 -1.36 0.00 0.00 55.97 55.72 3dll s LYS 101 Cb -0.43 -2.81 -0.01 0.00 -1.68 0.00 0.00 37.83 32.91 3dll s LYS 101 CO 0.57 0.39 0.17 0.44 -0.76 0.00 0.00 175.35 176.16 3dll n ILE 102 N 0.49 0.00 -3.84 2.17 -5.35 -0.44 -3.14 119.36 109.25 3dll n ILE 102 Ca -0.03 -0.95 -0.28 0.00 -0.27 0.00 0.00 62.75 61.23 3dll n ILE 102 Cb 0.52 0.52 -0.16 0.00 -1.74 0.00 0.00 39.64 38.77 3dll n ILE 102 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 3dll s ASP 103 N -2.00 2.96 -0.25 7.28 1.11 -1.13 -1.12 116.67 123.52 3dll s ASP 103 Ca 0.15 -0.77 -0.15 0.00 0.18 0.00 0.00 52.55 51.96 3dll s ASP 103 Cb 0.00 -0.82 -0.04 0.00 1.07 0.00 0.00 42.92 43.13 3dll s ASP 103 CO 0.11 -0.24 0.36 0.00 1.18 0.00 0.00 175.17 176.59 3dll s ALA 104 N 1.69 3.57 -0.03 5.23 0.00 -1.17 -2.19 121.76 128.85 3dll s ALA 104 Ca -0.01 -0.76 0.05 0.00 0.00 0.00 0.00 51.96 51.25 3dll s ALA 104 Cb -0.16 -2.66 -0.01 0.00 0.00 0.00 0.00 23.12 20.28 3dll s ALA 104 CO -0.07 -0.54 -0.19 0.95 0.00 0.00 0.00 175.76 175.90 3dll s THR 105 N 1.82 1.54 0.00 0.00 -4.23 -0.28 -2.29 115.64 112.22 3dll s THR 105 Ca 0.15 -0.81 0.00 0.00 -1.18 0.00 0.00 61.69 59.85 3dll s THR 105 Cb -0.15 -1.30 0.00 0.00 1.34 0.00 0.00 72.50 72.38 3dll s THR 105 CO 0.09 0.44 0.00 0.61 -0.54 0.00 0.00 174.62 175.22 3dll n GLY 106 N 2.83 4.48 2.78 3.99 0.00 -0.95 0.13 105.19 118.45 3dll n GLY 106 Ca -0.16 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.18 3dll n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dll s THR 107 N 0.69 0.27 0.87 2.61 2.01 -1.14 -2.55 115.64 118.41 3dll s THR 107 Ca 0.00 0.13 -0.15 0.00 0.31 0.00 0.00 61.69 61.98 3dll s THR 107 Cb 0.00 -0.41 -0.03 0.00 0.01 0.00 0.00 72.50 72.07 3dll s THR 107 CO 0.00 0.21 0.21 -1.54 -0.69 0.00 0.00 174.62 172.81 3dll n SER 108 N 4.76 -2.57 -4.75 3.53 3.41 -0.12 -2.65 113.62 115.24 3dll n SER 108 Ca -0.14 0.40 -0.29 0.00 -0.26 0.00 0.00 58.87 58.57 3dll n SER 108 Cb 0.50 -1.12 0.13 0.00 -0.26 0.00 0.00 64.21 63.46 3dll n SER 108 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3dll s LYS 109 N -2.98 1.36 -0.90 4.33 1.02 -1.26 -2.66 119.74 118.65 3dll s LYS 109 Ca 0.56 0.65 -0.14 0.00 0.02 0.00 0.00 55.97 57.06 3dll s LYS 109 Cb -0.26 -1.83 0.22 0.00 -0.52 0.00 0.00 37.83 35.43 3dll s LYS 109 CO 0.67 -2.12 0.89 0.20 -0.92 0.00 0.00 175.35 174.07 3dll s GLY 110 N -3.65 2.67 0.00 -3.33 0.00 -1.26 -0.07 107.32 101.67 3dll s GLY 110 Ca 0.63 -3.35 0.09 0.00 0.00 0.00 0.00 44.72 42.09 3dll s GLY 110 CO 0.56 1.38 0.94 0.28 0.00 0.00 0.00 173.10 176.26 3dll n LYS 111 N 4.12 0.32 0.00 2.90 4.76 -0.94 -4.91 118.16 124.41 3dll n LYS 111 Ca 0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 3dll n LYS 111 Cb 0.46 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 32.22 3dll n LYS 111 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3dll n GLY 112 N -0.34 0.37 3.29 0.72 0.00 -1.23 -4.63 105.19 103.38 3dll n GLY 112 Ca 0.06 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 3dll n GLY 112 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dll s THR 113 N 0.00 3.11 0.24 2.61 2.01 -1.25 -0.65 115.64 121.71 3dll s THR 113 Ca 0.00 -0.59 0.11 0.00 0.31 0.00 0.00 61.69 61.52 3dll s THR 113 Cb 0.00 -2.38 -0.05 0.00 0.01 0.00 0.00 72.50 70.08 3dll s THR 113 CO 0.00 0.46 -0.21 -1.10 -0.69 0.00 0.00 174.62 173.08 3dll s GLN 114 N 1.22 1.59 0.00 4.92 -1.52 0.69 -4.87 119.66 121.69 3dll s GLN 114 Ca 0.02 -1.67 0.00 0.00 -1.95 0.00 0.00 55.36 51.77 3dll s GLN 114 Cb -0.14 -1.74 0.00 0.00 -0.22 0.00 0.00 33.01 30.90 3dll s GLN 114 CO -0.03 0.34 0.00 0.41 -0.25 0.00 0.00 175.29 175.76 3dll n GLY 115 N -0.28 -3.33 0.14 3.09 0.00 -1.26 -1.48 105.19 102.06 3dll n GLY 115 Ca -0.08 -1.21 -0.26 0.00 0.00 0.00 0.00 46.02 44.47 3dll n GLY 115 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3dll n VAL 116 N -1.14 1.53 -0.28 1.61 0.24 -1.26 -2.36 118.33 116.67 3dll n VAL 116 Ca 0.00 -0.43 0.22 0.00 -2.04 0.00 0.00 64.34 62.09 3dll n VAL 116 Cb 0.00 -1.74 0.53 0.00 -1.47 0.00 0.00 33.84 31.16 3dll n VAL 116 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 3dll h MET 117 N -0.67 0.36 0.03 7.34 2.86 -1.88 0.19 114.93 123.16 3dll h MET 117 Ca -0.64 -0.02 -0.21 0.00 -2.06 0.00 0.00 59.70 56.77 3dll h MET 117 Cb 1.70 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 33.26 3dll h MET 117 CO -0.30 0.24 -1.12 -0.22 1.06 0.00 0.00 176.91 176.57 3dll h LYS 118 N 0.37 0.06 -0.62 1.72 3.64 -1.77 -1.40 116.57 118.57 3dll h LYS 118 Ca 0.53 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 59.76 3dll h LYS 118 Cb 1.41 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.24 3dll h LYS 118 CO -0.21 1.05 0.16 -0.09 -2.27 0.00 0.00 179.45 178.09 3dll h ARG 119 N -0.82 0.95 0.00 1.90 2.43 -1.13 -3.30 114.38 114.41 3dll h ARG 119 Ca -0.29 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 3dll h ARG 119 Cb 1.37 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 3dll h ARG 119 CO -0.11 0.84 0.00 0.91 -1.51 0.00 0.00 179.97 180.10 3dll n TRP 120 N -4.26 0.00 0.00 2.20 7.02 0.06 -5.03 117.44 117.42 3dll n TRP 120 Ca 0.05 -0.16 0.00 0.00 -1.02 0.00 0.00 57.50 56.37 3dll n TRP 120 Cb 0.23 -0.02 0.00 0.00 -2.42 0.00 0.00 31.31 29.10 3dll n TRP 120 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 3dll n ASN 121 N -0.16 0.00 -0.09 -0.99 3.02 0.43 -4.95 115.26 112.53 3dll n ASN 121 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3dll n ASN 121 Cb 0.38 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.55 3dll n ASN 121 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3dll n PHE 122 N 0.00 -0.94 0.00 3.10 0.99 -1.25 -3.57 117.46 115.80 3dll n PHE 122 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3dll n PHE 122 Cb 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 39.48 38.51 3dll n PHE 122 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3dll n ALA 123 N 0.19 1.48 -1.18 4.37 0.00 -1.26 -4.82 120.51 119.28 3dll n ALA 123 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 3dll n ALA 123 Cb 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 19.45 19.46 3dll n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dll n GLY 124 N 1.88 -1.64 3.88 0.00 0.00 -1.26 -4.91 105.19 103.13 3dll n GLY 124 Ca 0.00 -0.89 -0.27 0.00 0.00 0.00 0.00 46.02 44.86 3dll n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dll n GLY 125 N -3.57 2.78 3.70 -0.02 0.00 -0.85 -4.94 105.19 102.29 3dll n GLY 125 Ca -0.00 -2.31 -0.44 0.00 0.00 0.00 0.00 46.02 43.27 3dll n GLY 125 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dll n PRO 126 N -1.79 2.31 0.00 1.61 -0.02 -1.26 -3.35 135.00 132.50 3dll n PRO 126 Ca -0.03 0.83 0.14 0.00 -2.02 0.00 0.00 63.50 62.41 3dll n PRO 126 Cb 0.64 -2.56 0.50 0.00 -0.02 0.00 0.00 33.50 32.06 3dll n PRO 126 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dll n ALA 127 N 2.45 2.90 -3.00 3.55 0.00 -1.26 -4.26 120.51 120.90 3dll n ALA 127 Ca 0.12 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3dll n ALA 127 Cb 0.33 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3dll n ALA 127 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3dll n SER 128 N -0.78 0.00 -3.56 0.00 3.41 -1.26 -4.96 113.62 106.47 3dll n SER 128 Ca 0.13 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.52 3dll n SER 128 Cb 0.31 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.31 3dll n SER 128 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3dll n HIS 129 N 0.00 -2.08 -2.22 7.33 -0.00 -1.26 -4.48 115.22 112.51 3dll n HIS 129 Ca 0.00 0.72 0.00 0.00 -0.00 0.00 0.00 57.72 58.44 3dll n HIS 129 Cb 0.00 -4.02 0.00 0.00 -0.00 0.00 0.00 29.99 25.97 3dll n HIS 129 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3dll n GLY 130 N -1.50 -4.69 3.66 -1.41 0.00 -1.26 -5.06 105.19 94.94 3dll n GLY 130 Ca -0.17 0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 3dll n GLY 130 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dll s SER 131 N -0.48 -0.33 0.00 1.61 0.15 -1.26 -4.95 113.70 108.44 3dll s SER 131 Ca 0.00 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.20 3dll s SER 131 Cb 0.00 0.66 0.00 0.00 -1.71 0.00 0.00 66.02 64.97 3dll s SER 131 CO 0.00 -1.18 0.00 0.29 1.20 0.00 0.00 173.24 173.55 3dll n LYS 132 N -0.41 0.00 -0.47 5.44 5.02 -1.26 -4.79 118.16 121.69 3dll n LYS 132 Ca -0.08 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.26 3dll n LYS 132 Cb 0.61 -0.10 0.19 0.00 -0.02 0.00 0.00 35.03 35.71 3dll n LYS 132 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3dll n LYS 133 N 0.00 1.63 -0.50 1.97 4.81 -1.26 -5.06 118.16 119.75 3dll n LYS 133 Ca 0.00 -3.05 -0.09 0.00 -0.87 0.00 0.00 58.31 54.31 3dll n LYS 133 Cb 0.12 -1.63 0.08 0.00 0.02 0.00 0.00 35.03 33.63 3dll n LYS 133 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 3dll n TRP 134 N -1.17 -1.90 0.00 5.64 7.02 -1.26 -3.62 117.44 122.14 3dll n TRP 134 Ca 0.21 0.16 0.00 0.00 -1.02 0.00 0.00 57.50 56.85 3dll n TRP 134 Cb 0.74 -1.16 0.00 0.00 -2.42 0.00 0.00 31.31 28.48 3dll n TRP 134 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 3dll n HIS 135 N -3.71 0.00 -0.89 -5.99 8.25 -1.21 -4.28 115.22 107.38 3dll n HIS 135 Ca 0.04 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.14 3dll n HIS 135 Cb 0.17 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.36 3dll n HIS 135 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 3dll n ARG 136 N 0.00 -0.41 0.00 -0.41 0.63 -1.26 -2.00 116.66 113.21 3dll n ARG 136 Ca 0.00 -0.11 0.00 0.00 -0.92 0.00 0.00 57.85 56.82 3dll n ARG 136 Cb 0.00 -1.29 0.00 0.00 0.45 0.00 0.00 32.46 31.62 3dll n ARG 136 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 3dll n ARG 137 N 0.83 0.00 -1.03 -0.14 0.63 -1.26 -4.70 116.66 110.99 3dll n ARG 137 Ca -0.00 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.64 3dll n ARG 137 Cb 0.64 0.00 0.18 0.00 0.45 0.00 0.00 32.46 33.74 3dll n ARG 137 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3dll s PRO 138 N -4.45 0.39 0.00 -0.14 0.04 -1.26 -4.45 135.00 125.13 3dll s PRO 138 Ca 0.00 0.70 0.00 0.00 0.04 0.00 0.00 61.00 61.74 3dll s PRO 138 Cb 0.00 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.82 3dll s PRO 138 CO 0.00 -2.81 0.00 0.41 0.04 0.00 0.00 177.00 174.64 3dll n GLY 139 N -0.66 -0.27 3.13 0.56 0.00 -1.26 -4.99 105.19 101.70 3dll n GLY 139 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 3dll n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dll s SER 140 N -2.74 0.63 0.00 1.61 1.04 -1.26 -5.10 113.70 107.88 3dll s SER 140 Ca 0.00 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.36 3dll s SER 140 Cb 0.00 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.32 3dll s SER 140 CO 0.00 -0.61 0.00 -0.38 0.98 0.00 0.00 173.24 173.23 3dll n ILE 141 N -0.01 0.00 0.00 -1.02 2.08 -1.26 -5.06 119.36 114.09 3dll n ILE 141 Ca -0.11 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.20 3dll n ILE 141 Cb 0.62 -0.28 0.00 0.00 -0.75 0.00 0.00 39.64 39.23 3dll n ILE 141 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3dll n GLY 142 N 2.62 1.47 0.00 7.39 0.00 -1.26 -5.01 105.19 110.40 3dll n GLY 142 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3dll n GLY 142 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dll n GLN 143 N 0.00 2.56 0.00 1.61 3.00 -1.26 -5.18 117.38 118.11 3dll n GLN 143 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3dll n GLN 143 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3dll n GLN 143 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 3dll n ARG 144 N 0.00 3.83 -0.36 -1.09 0.63 -1.26 -4.95 116.66 113.47 3dll n ARG 144 Ca 0.00 0.00 0.29 0.00 -0.92 0.00 0.00 57.85 57.22 3dll n ARG 144 Cb 0.00 0.00 0.46 0.00 0.45 0.00 0.00 32.46 33.37 3dll n ARG 144 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3dll n LYS 145 N 0.00 -0.01 -2.50 -0.14 4.81 -1.26 -3.89 118.16 115.16 3dll n LYS 145 Ca 0.00 0.75 -0.39 0.00 -0.87 0.00 0.00 58.31 57.80 3dll n LYS 145 Cb 0.00 -1.56 -0.04 0.00 0.02 0.00 0.00 35.03 33.44 3dll n LYS 145 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 3dll s THR 146 N -4.46 3.57 -1.17 3.15 -4.23 -1.26 -2.71 115.64 108.53 3dll s THR 146 Ca -0.04 1.44 -0.17 0.00 -1.18 0.00 0.00 61.69 61.74 3dll s THR 146 Cb 0.19 -3.86 -0.01 0.00 1.34 0.00 0.00 72.50 70.15 3dll s THR 146 CO 0.53 0.24 0.76 -2.65 -0.54 0.00 0.00 174.62 172.96 3dll n PRO 147 N 0.75 -1.74 0.00 3.99 -0.02 -1.25 -4.66 135.00 132.07 3dll n PRO 147 Ca 0.01 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3dll n PRO 147 Cb 0.46 -4.33 0.00 0.00 -0.02 0.00 0.00 33.50 29.61 3dll n PRO 147 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dll n GLY 148 N -1.68 0.01 0.00 -1.23 0.00 -1.10 -4.52 105.19 96.67 3dll n GLY 148 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3dll n GLY 148 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3dll n ARG 149 N 0.84 0.78 -4.53 1.61 1.85 -1.26 -5.03 116.66 110.93 3dll n ARG 149 Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.63 3dll n ARG 149 Cb 0.00 0.00 -0.16 0.00 -1.05 0.00 0.00 32.46 31.25 3dll n ARG 149 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 3dll s VAL 150 N -0.21 0.99 1.05 8.89 -7.23 -1.26 -4.68 120.40 117.95 3dll s VAL 150 Ca 0.00 -0.47 -0.19 0.00 -1.81 0.00 0.00 61.98 59.51 3dll s VAL 150 Cb 0.00 -0.88 0.01 0.00 0.56 0.00 0.00 36.38 36.07 3dll s VAL 150 CO 0.00 0.30 -0.30 -1.22 -0.31 0.00 0.00 175.10 173.57 3dll n TYR 151 N 3.30 -1.76 -2.37 2.82 4.01 -1.26 -4.98 117.16 116.92 3dll n TYR 151 Ca -0.19 0.25 -0.24 0.00 -0.16 0.00 0.00 57.90 57.56 3dll n TYR 151 Cb 0.54 -1.56 0.06 0.00 -0.31 0.00 0.00 39.34 38.07 3dll n TYR 151 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 3dll s LYS 152 N -3.07 2.28 0.00 -0.72 1.02 -1.26 -4.01 119.74 113.98 3dll s LYS 152 Ca 0.51 -0.49 0.00 0.00 0.02 0.00 0.00 55.97 56.01 3dll s LYS 152 Cb -0.10 -2.29 0.00 0.00 -0.52 0.00 0.00 37.83 34.92 3dll s LYS 152 CO 0.68 -1.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.45 3dll n GLY 153 N -2.72 1.76 1.23 -3.33 0.00 -1.26 -4.86 105.19 96.02 3dll n GLY 153 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 3dll n GLY 153 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3dll n LYS 154 N -1.30 0.00 -1.49 1.61 3.00 -1.26 -4.63 118.16 114.09 3dll n LYS 154 Ca 0.00 0.00 -0.58 0.00 -0.00 0.00 0.00 58.31 57.73 3dll n LYS 154 Cb 0.00 -0.45 -0.08 0.00 0.00 0.00 0.00 35.03 34.50 3dll n LYS 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3dll n ARG 155 N 2.52 0.00 -4.01 1.64 1.74 -1.26 -4.90 116.66 112.40 3dll n ARG 155 Ca 0.23 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.22 3dll n ARG 155 Cb 0.03 -1.34 -0.07 0.00 -1.02 0.00 0.00 32.46 30.05 3dll n ARG 155 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3dll s MET 156 N 1.76 1.21 0.55 5.56 -1.94 -1.26 -5.09 119.30 120.10 3dll s MET 156 Ca 0.90 -1.26 -0.21 0.00 -1.71 0.00 0.00 55.69 53.41 3dll s MET 156 Cb -1.27 0.37 -0.05 0.00 2.01 0.00 0.00 34.83 35.89 3dll s MET 156 CO 0.66 -0.45 1.26 0.00 -0.01 0.00 0.00 175.02 176.48 3dll n ALA 157 N -0.24 1.19 -3.00 3.03 0.00 -1.26 -4.94 120.51 115.29 3dll n ALA 157 Ca -0.05 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3dll n ALA 157 Cb 0.63 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.79 3dll n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dll n GLY 158 N 0.90 0.79 3.78 0.00 0.00 -0.55 -4.92 105.19 105.19 3dll n GLY 158 Ca 0.11 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 45.02 3dll n GLY 158 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3dll s HIS 159 N -2.79 2.90 -0.01 1.61 5.65 -1.25 0.25 115.29 121.65 3dll s HIS 159 Ca 0.00 1.57 -0.02 0.00 0.25 0.00 0.00 55.06 56.86 3dll s HIS 159 Cb 0.00 -3.24 0.00 0.00 -1.18 0.00 0.00 32.58 28.16 3dll s HIS 159 CO 0.00 -1.23 0.04 1.41 -0.65 0.00 0.00 174.74 174.31 3dll s MET 160 N -2.97 0.07 1.52 2.88 1.75 0.18 -4.76 119.30 117.98 3dll s MET 160 Ca 0.66 0.02 0.00 0.00 -1.25 0.00 0.00 55.69 55.12 3dll s MET 160 Cb -0.23 0.03 0.00 0.00 2.84 0.00 0.00 34.83 37.47 3dll s MET 160 CO 0.28 -0.01 0.00 0.41 -0.65 0.00 0.00 175.02 175.05 3dll n GLY 161 N 2.95 -1.73 3.76 2.11 0.00 -1.26 -2.20 105.19 108.81 3dll n GLY 161 Ca -0.13 -1.40 -0.24 0.00 0.00 0.00 0.00 46.02 44.25 3dll n GLY 161 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3dll n MET 162 N 0.00 -3.58 -4.41 1.61 0.00 0.90 -4.84 117.12 106.80 3dll n MET 162 Ca 0.00 0.53 -0.23 0.00 -0.00 0.00 0.00 57.70 58.00 3dll n MET 162 Cb 0.00 -4.80 -0.08 0.00 0.00 0.00 0.00 33.22 28.35 3dll n MET 162 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 3dll s GLU 163 N -6.09 1.90 -0.31 2.12 2.12 -1.25 -4.87 118.70 112.31 3dll s GLU 163 Ca 0.11 -2.15 -0.09 0.00 0.36 0.00 0.00 54.97 53.20 3dll s GLU 163 Cb -0.04 -0.13 -0.00 0.00 0.26 0.00 0.00 34.13 34.22 3dll s GLU 163 CO 0.84 -0.60 0.14 0.50 -0.54 0.00 0.00 175.26 175.60 3dll s ARG 164 N -3.53 3.29 0.08 4.30 3.52 -1.26 -0.94 118.95 124.41 3dll s ARG 164 Ca 0.31 -0.75 0.07 0.00 -0.13 0.00 0.00 55.73 55.23 3dll s ARG 164 Cb 0.02 -3.53 -0.04 0.00 -1.56 0.00 0.00 34.95 29.84 3dll s ARG 164 CO 0.22 -0.42 -0.12 0.08 -0.81 0.00 0.00 175.30 174.24 3dll s VAL 165 N 1.59 3.21 -0.07 7.11 1.01 -1.06 -4.98 120.40 127.22 3dll s VAL 165 Ca 0.04 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 60.79 3dll s VAL 165 Cb -0.17 -2.46 0.02 0.00 0.00 0.00 0.00 36.38 33.77 3dll s VAL 165 CO 0.05 0.18 -0.06 -0.89 0.00 0.00 0.00 175.10 174.39 3dll s THR 166 N -1.13 0.73 -0.10 3.92 2.01 -1.26 -2.25 115.64 117.56 3dll s THR 166 Ca 0.19 -0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.03 3dll s THR 166 Cb -0.11 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.63 3dll s THR 166 CO 0.11 0.29 -0.14 0.54 -0.69 0.00 0.00 174.62 174.73 3dll s VAL 167 N 1.29 3.01 0.26 3.82 0.11 -0.97 -5.02 120.40 122.90 3dll s VAL 167 Ca -0.04 -0.70 0.07 0.00 -2.93 0.00 0.00 61.98 58.38 3dll s VAL 167 Cb -0.14 -2.23 -0.03 0.00 -1.53 0.00 0.00 36.38 32.45 3dll s VAL 167 CO -0.02 0.55 0.21 -1.10 -3.33 0.00 0.00 175.10 171.41 3dll s GLN 168 N -0.05 2.93 -0.69 1.54 -0.21 -1.26 -3.06 119.66 118.87 3dll s GLN 168 Ca -0.03 -1.06 -0.01 0.00 0.02 0.00 0.00 55.36 54.28 3dll s GLN 168 Cb -0.14 -2.57 0.00 0.00 1.00 0.00 0.00 33.01 31.30 3dll s GLN 168 CO 0.04 0.38 0.59 0.09 -2.12 0.00 0.00 175.29 174.27 3dll n ASN 169 N -1.20 -2.72 -4.66 5.90 4.13 -0.74 -4.99 115.26 110.97 3dll n ASN 169 Ca -0.07 -0.33 -0.40 0.00 1.68 0.00 0.00 54.58 55.46 3dll n ASN 169 Cb 0.58 -3.05 -0.06 0.00 -1.54 0.00 0.00 39.78 35.70 3dll n ASN 169 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3dll s LEU 170 N -4.44 4.15 -0.61 3.41 1.43 -0.27 -4.72 118.68 117.63 3dll s LEU 170 Ca 0.09 0.79 -0.27 0.00 -1.03 0.00 0.00 54.13 53.72 3dll s LEU 170 Cb -0.04 -2.83 -0.02 0.00 0.03 0.00 0.00 46.19 43.33 3dll s LEU 170 CO 0.41 -0.23 1.81 -0.70 0.23 0.00 0.00 176.35 177.87 3dll s GLU 171 N 1.75 2.71 -0.33 1.70 2.12 -1.26 -1.33 118.70 124.05 3dll s GLU 171 Ca 0.27 0.58 -0.28 0.00 0.36 0.00 0.00 54.97 55.91 3dll s GLU 171 Cb -0.16 -4.36 -0.04 0.00 0.26 0.00 0.00 34.13 29.83 3dll s GLU 171 CO 0.10 -2.64 2.07 0.08 -0.54 0.00 0.00 175.26 174.33 3dll s VAL 172 N 8.70 3.20 0.00 3.70 1.01 -0.26 -2.58 120.40 134.17 3dll s VAL 172 Ca 0.65 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.82 3dll s VAL 172 Cb -0.13 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.94 3dll s VAL 172 CO 0.21 -0.23 0.01 0.52 0.00 0.00 0.00 175.10 175.62 3dll n VAL 173 N 7.63 0.00 -3.90 2.92 0.31 -0.46 0.55 118.33 125.38 3dll n VAL 173 Ca 0.28 0.03 -0.36 0.00 -0.01 0.00 0.00 64.34 64.27 3dll n VAL 173 Cb 0.48 -0.06 -0.07 0.00 -0.91 0.00 0.00 33.84 33.28 3dll n VAL 173 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3dll s GLU 174 N -0.02 3.54 -0.31 5.55 2.12 -1.26 -4.41 118.70 123.91 3dll s GLU 174 Ca 0.00 -0.17 -0.03 0.00 0.36 0.00 0.00 54.97 55.13 3dll s GLU 174 Cb 0.00 -3.20 0.11 0.00 0.26 0.00 0.00 34.13 31.30 3dll s GLU 174 CO 0.00 0.69 0.14 0.42 -0.54 0.00 0.00 175.26 175.97 3dll s ILE 175 N -0.77 0.17 -0.58 -3.70 1.01 -1.26 -0.10 121.20 115.98 3dll s ILE 175 Ca 0.13 -1.09 -0.21 0.00 0.00 0.00 0.00 60.65 59.48 3dll s ILE 175 Cb -0.12 -1.15 0.07 0.00 0.01 0.00 0.00 42.46 41.27 3dll s ILE 175 CO 0.03 -0.77 0.83 -0.13 0.00 0.00 0.00 174.94 174.90 3dll s ARG 176 N 1.79 3.16 0.22 2.79 0.52 -0.37 -4.98 118.95 122.08 3dll s ARG 176 Ca 0.11 -0.78 -0.04 0.00 -0.52 0.00 0.00 55.73 54.50 3dll s ARG 176 Cb -0.18 -4.16 0.05 0.00 0.52 0.00 0.00 34.95 31.19 3dll s ARG 176 CO -0.27 -1.54 0.29 0.00 0.02 0.00 0.00 175.30 173.80 3dll n ALA 177 N 7.03 -0.36 -1.20 2.13 0.00 -1.26 -1.73 120.51 125.12 3dll n ALA 177 Ca -0.04 -0.38 -0.09 0.00 0.00 0.00 0.00 53.44 52.92 3dll n ALA 177 Cb 0.45 -0.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.84 3dll n ALA 177 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dll n GLY 178 N 2.99 0.90 0.00 0.00 0.00 -1.26 -4.20 105.19 103.62 3dll n GLY 178 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3dll n GLY 178 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3dll n GLU 179 N -1.38 0.26 -1.21 1.61 4.07 -1.23 -4.97 120.64 117.79 3dll n GLU 179 Ca -0.09 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 56.95 3dll n GLU 179 Cb 0.35 -0.02 -0.02 0.00 -0.06 0.00 0.00 31.44 31.69 3dll n GLU 179 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3dll n ASN 180 N 0.00 -1.54 -4.74 4.31 4.13 -1.18 -4.84 115.26 111.40 3dll n ASN 180 Ca 0.00 0.15 -0.38 0.00 1.68 0.00 0.00 54.58 56.03 3dll n ASN 180 Cb 0.00 -1.71 -0.06 0.00 -1.54 0.00 0.00 39.78 36.47 3dll n ASN 180 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3dll s LEU 181 N -2.84 4.30 0.02 3.41 1.43 -0.71 0.23 118.68 124.53 3dll s LEU 181 Ca 0.00 0.82 0.01 0.00 -1.03 0.00 0.00 54.13 53.93 3dll s LEU 181 Cb 0.00 -2.67 -0.02 0.00 0.03 0.00 0.00 46.19 43.53 3dll s LEU 181 CO 0.00 0.05 -0.05 -0.51 0.23 0.00 0.00 176.35 176.07 3dll s ILE 182 N 0.39 0.31 0.06 -0.59 -1.16 -0.34 -1.24 121.20 118.62 3dll s ILE 182 Ca 0.25 -0.82 0.08 0.00 -0.51 0.00 0.00 60.65 59.65 3dll s ILE 182 Cb -0.15 -0.39 -0.03 0.00 0.61 0.00 0.00 42.46 42.50 3dll s ILE 182 CO 0.10 -0.34 -0.22 -0.76 -2.81 0.00 0.00 174.94 170.92 3dll s LEU 183 N -1.22 2.19 -0.07 8.50 1.43 0.86 -1.88 118.68 128.50 3dll s LEU 183 Ca -0.10 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 52.44 3dll s LEU 183 Cb -0.08 -1.00 0.02 0.00 0.03 0.00 0.00 46.19 45.16 3dll s LEU 183 CO -0.00 0.15 -0.06 -0.69 0.23 0.00 0.00 176.35 175.99 3dll s VAL 184 N -0.87 0.72 -0.23 -1.59 1.01 -1.26 -1.36 120.40 116.82 3dll s VAL 184 Ca 0.08 -0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 3dll s VAL 184 Cb -0.09 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 3dll s VAL 184 CO 0.02 0.29 1.75 -0.75 0.00 0.00 0.00 175.10 176.41 3dll s LYS 185 N 1.23 3.63 0.00 2.72 2.20 -1.06 -1.27 119.74 127.19 3dll s LYS 185 Ca -0.05 1.70 0.00 0.00 -0.36 0.00 0.00 55.97 57.26 3dll s LYS 185 Cb -0.14 -4.12 0.00 0.00 -1.51 0.00 0.00 37.83 32.06 3dll s LYS 185 CO -0.02 -1.51 0.00 0.41 -0.36 0.00 0.00 175.35 173.88 3dll n GLY 186 N 4.98 0.51 2.84 5.54 0.00 -0.45 -4.33 105.19 114.28 3dll n GLY 186 Ca 0.21 -1.49 -0.17 0.00 0.00 0.00 0.00 46.02 44.57 3dll n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dll s ALA 187 N -1.00 -0.29 0.37 4.61 0.00 -1.26 -4.14 121.76 120.05 3dll s ALA 187 Ca 0.00 0.52 -0.18 0.00 0.00 0.00 0.00 51.96 52.30 3dll s ALA 187 Cb 0.00 -1.06 -0.10 0.00 0.00 0.00 0.00 23.12 21.96 3dll s ALA 187 CO 0.00 -0.84 0.84 0.42 0.00 0.00 0.00 175.76 176.18 3dll s ILE 188 N 2.33 4.53 0.11 0.00 1.09 -1.26 -4.99 121.20 123.02 3dll s ILE 188 Ca 0.04 1.22 -0.30 0.00 -1.10 0.00 0.00 60.65 60.51 3dll s ILE 188 Cb -0.13 -3.63 -0.06 0.00 -1.06 0.00 0.00 42.46 37.58 3dll s ILE 188 CO -0.09 -0.22 1.13 -2.84 -0.10 0.00 0.00 174.94 172.82 3dll s PRO 189 N -3.01 4.52 0.00 2.79 0.02 -1.26 -4.88 135.00 133.18 3dll s PRO 189 Ca 0.57 1.71 0.00 0.00 0.02 0.00 0.00 61.00 63.30 3dll s PRO 189 Cb -0.10 -3.32 0.00 0.00 0.02 0.00 0.00 34.50 31.10 3dll s PRO 189 CO 0.16 -0.08 0.00 0.41 -0.33 0.00 0.00 177.00 177.16 3dll n GLY 190 N 2.61 3.47 3.72 0.52 0.00 -1.08 -2.88 105.19 111.54 3dll n GLY 190 Ca 0.06 -1.58 -0.31 0.00 0.00 0.00 0.00 46.02 44.19 3dll n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dll s ALA 191 N -1.23 1.83 0.46 4.61 0.00 -1.26 -4.89 121.76 121.27 3dll s ALA 191 Ca 0.00 0.34 -0.25 0.00 0.00 0.00 0.00 51.96 52.06 3dll s ALA 191 Cb 0.00 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.71 3dll s ALA 191 CO 0.00 -2.24 1.36 -0.80 0.00 0.00 0.00 175.76 174.08 3dll s ASN 192 N -3.11 5.90 0.00 0.00 0.01 -1.26 -1.87 114.94 114.60 3dll s ASN 192 Ca 0.64 2.77 0.00 0.00 -0.71 0.00 0.00 52.86 55.56 3dll s ASN 192 Cb -0.19 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 38.82 3dll s ASN 192 CO 0.57 -1.15 0.00 0.61 -1.51 0.00 0.00 177.10 175.62 3dll n GLY 193 N 0.62 0.63 3.99 0.66 0.00 -0.69 -5.03 105.19 105.38 3dll n GLY 193 Ca 0.06 -0.75 -0.20 0.00 0.00 0.00 0.00 46.02 45.12 3dll n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dll s GLY 194 N -2.83 1.92 -0.13 -0.02 0.00 -0.78 -4.93 107.32 100.55 3dll s GLY 194 Ca 0.00 -1.88 0.01 0.00 0.00 0.00 0.00 44.72 42.85 3dll s GLY 194 CO 0.00 -1.70 -0.17 -2.27 0.00 0.00 0.00 173.10 168.96 3dll s LEU 195 N -4.49 2.42 0.08 0.66 2.96 -1.26 -2.65 118.68 116.41 3dll s LEU 195 Ca 0.54 -0.46 0.04 0.00 -0.22 0.00 0.00 54.13 54.03 3dll s LEU 195 Cb -0.06 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 3dll s LEU 195 CO 0.34 0.13 -0.10 0.68 -1.32 0.00 0.00 176.35 176.07 3dll s VAL 196 N 0.55 0.91 -0.12 1.68 -7.23 -0.95 -4.55 120.40 110.68 3dll s VAL 196 Ca -0.11 -1.51 -0.00 0.00 -1.81 0.00 0.00 61.98 58.56 3dll s VAL 196 Cb -0.16 -1.21 -0.02 0.00 0.56 0.00 0.00 36.38 35.55 3dll s VAL 196 CO 0.04 -0.48 -0.12 -0.69 -0.31 0.00 0.00 175.10 173.54 3dll s VAL 197 N -2.11 3.11 -0.01 1.32 1.01 0.12 -2.07 120.40 121.78 3dll s VAL 197 Ca 0.02 -0.64 -0.00 0.00 0.00 0.00 0.00 61.98 61.35 3dll s VAL 197 Cb -0.05 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3dll s VAL 197 CO 0.00 0.53 0.07 -0.76 0.00 0.00 0.00 175.10 174.94 3dll s LEU 198 N 0.26 3.85 0.34 3.92 1.02 -0.08 -1.12 118.68 126.86 3dll s LEU 198 Ca -0.09 0.13 -0.00 0.00 0.02 0.00 0.00 54.13 54.20 3dll s LEU 198 Cb -0.15 -2.22 -0.01 0.00 0.02 0.00 0.00 46.19 43.83 3dll s LEU 198 CO 0.05 0.28 0.42 -0.13 0.02 0.00 0.00 176.35 177.00 3dll s ARG 199 N -1.66 1.87 0.64 1.70 0.52 -0.93 -0.58 118.95 120.50 3dll s ARG 199 Ca 0.22 -1.82 -0.13 0.00 -0.52 0.00 0.00 55.73 53.48 3dll s ARG 199 Cb -0.12 0.41 -0.02 0.00 0.52 0.00 0.00 34.95 35.75 3dll s ARG 199 CO 0.13 -0.75 1.05 -1.12 0.02 0.00 0.00 175.30 174.63 3dll s SER 200 N -3.27 5.65 -0.47 0.23 0.01 -0.33 -2.84 113.70 112.68 3dll s SER 200 Ca 0.33 1.69 -0.44 0.00 1.31 0.00 0.00 55.95 58.84 3dll s SER 200 Cb 0.00 -2.51 -0.19 0.00 0.21 0.00 0.00 66.02 63.54 3dll s SER 200 CO 0.22 -1.26 1.61 0.00 0.41 0.00 0.00 173.24 174.21 3dll n ALA 201 N -2.58 -0.99 0.23 1.44 0.00 -1.19 -4.16 120.51 113.26 3dll n ALA 201 Ca 0.08 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3dll n ALA 201 Cb 0.53 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.14 3dll n ALA 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dll n ALA 202 N 4.41 1.53 0.00 0.00 0.00 -1.26 -4.11 120.51 121.07 3dll n ALA 202 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3dll n ALA 202 Cb -0.05 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.40 3dll n ALA 202 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3dll n LYS 203 N 0.61 0.00 -0.00 0.00 4.81 -1.26 -5.08 118.16 117.24 3dll n LYS 203 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3dll n LYS 203 Cb 0.09 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.14 3dll n LYS 203 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3dll n ALA 204 N 0.00 0.00 0.70 3.14 0.00 -1.26 -5.14 120.51 117.95 3dll n ALA 204 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 3dll n ALA 204 Cb 0.00 0.00 0.33 0.00 0.00 0.00 0.00 19.45 19.78 3dll n ALA 204 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93