#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v5m s SER 2 N 0.00 0.18 0.39 1.61 0.01 -1.26 -5.04 113.70 109.59 1v5m s SER 2 Ca 0.00 -0.63 0.08 0.00 1.31 0.00 0.00 55.95 56.71 1v5m s SER 2 Cb 0.00 0.28 0.79 0.00 0.21 0.00 0.00 66.02 67.30 1v5m s SER 2 CO 0.00 -0.62 1.97 0.77 0.41 0.00 0.00 173.24 175.77 1v5m h SER 3 N 3.18 0.36 -4.06 2.44 4.64 -2.09 -3.49 113.55 114.53 1v5m h SER 3 Ca -0.33 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1v5m h SER 3 Cb 1.18 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1v5m h SER 3 CO 0.55 0.39 0.00 0.61 -0.87 0.00 0.00 176.83 177.51 1v5m n GLY 4 N -1.11 -2.46 3.64 -0.77 0.00 -1.26 -4.93 105.19 98.31 1v5m n GLY 4 Ca 0.01 -1.36 -0.21 0.00 0.00 0.00 0.00 46.02 44.45 1v5m n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1v5m n SER 5 N -1.51 -2.30 -4.71 1.61 7.64 -1.26 -4.90 113.62 108.18 1v5m n SER 5 Ca 0.00 -0.74 -0.40 0.00 1.01 0.00 0.00 58.87 58.75 1v5m n SER 5 Cb 0.00 -4.42 0.03 0.00 -1.01 0.00 0.00 64.21 58.81 1v5m n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1v5m n SER 6 N -3.05 2.50 0.00 6.43 7.64 -1.26 -4.92 113.62 120.97 1v5m n SER 6 Ca -0.23 1.04 0.00 0.00 1.01 0.00 0.00 58.87 60.69 1v5m n SER 6 Cb 0.65 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 1v5m n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v5m n GLY 7 N 0.82 2.32 3.36 0.23 0.00 -1.26 -5.09 105.19 105.57 1v5m n GLY 7 Ca 0.08 -0.08 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1v5m n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1v5m s ASN 8 N 0.00 6.05 -1.63 1.61 2.47 -1.26 -4.56 114.94 117.62 1v5m s ASN 8 Ca 0.00 -1.39 -0.12 0.00 0.42 0.00 0.00 52.86 51.77 1v5m s ASN 8 Cb 0.00 -2.15 0.11 0.00 -1.45 0.00 0.00 41.25 37.76 1v5m s ASN 8 CO 0.00 -0.64 0.58 -0.11 -3.72 0.00 0.00 177.10 173.21 1v5m n LEU 9 N 5.15 -1.66 -4.60 3.21 7.94 -1.26 -4.80 117.00 120.98 1v5m n LEU 9 Ca -0.12 -1.07 -0.46 0.00 -1.11 0.00 0.00 56.01 53.25 1v5m n LEU 9 Cb 0.43 -2.01 -0.03 0.00 0.53 0.00 0.00 43.42 42.35 1v5m n LEU 9 CO 0.46 0.33 0.68 0.00 -1.11 0.00 0.00 177.39 177.75 1v5m n ALA 10 N -4.38 -0.26 -1.85 1.96 0.00 -1.26 -4.94 120.51 109.77 1v5m n ALA 10 Ca -0.07 0.42 -0.35 0.00 0.00 0.00 0.00 53.44 53.44 1v5m n ALA 10 Cb 0.56 -2.05 -0.07 0.00 0.00 0.00 0.00 19.45 17.89 1v5m n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v5m s ALA 11 N -0.62 3.18 -0.72 0.00 0.00 -1.26 -4.97 121.76 117.37 1v5m s ALA 11 Ca 0.65 0.41 -0.02 0.00 0.00 0.00 0.00 51.96 53.00 1v5m s ALA 11 Cb -0.75 -3.10 0.39 0.00 0.00 0.00 0.00 23.12 19.66 1v5m s ALA 11 CO 0.56 0.19 2.06 1.63 0.00 0.00 0.00 175.76 180.20 1v5m n LYS 12 N 0.11 2.67 -2.67 0.00 4.76 -1.26 -4.99 118.16 116.78 1v5m n LYS 12 Ca 0.03 -3.29 -0.39 0.00 -2.87 0.00 0.00 58.31 51.79 1v5m n LYS 12 Cb 0.52 -2.25 -0.05 0.00 -1.84 0.00 0.00 35.03 31.40 1v5m n LYS 12 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1v5m s VAL 13 N -4.75 3.91 -0.21 -0.18 0.11 -1.26 -5.05 120.40 112.97 1v5m s VAL 13 Ca 0.58 1.82 0.01 0.00 -2.93 0.00 0.00 61.98 61.46 1v5m s VAL 13 Cb 0.47 -4.12 0.03 0.00 -1.53 0.00 0.00 36.38 31.23 1v5m s VAL 13 CO -0.18 0.35 -0.15 -0.70 -3.33 0.00 0.00 175.10 171.09 1v5m s GLU 14 N -1.53 2.82 0.28 1.54 2.12 -1.26 -5.00 118.70 117.68 1v5m s GLU 14 Ca 0.45 -0.96 -0.03 0.00 0.36 0.00 0.00 54.97 54.79 1v5m s GLU 14 Cb -0.26 -2.73 -0.01 0.00 0.26 0.00 0.00 34.13 31.39 1v5m s GLU 14 CO 0.32 -0.32 0.37 -0.51 -0.54 0.00 0.00 175.26 174.58 1v5m s LEU 15 N 1.26 0.97 0.17 2.70 1.43 -1.26 -5.12 118.68 118.83 1v5m s LEU 15 Ca 0.01 -1.36 -0.34 0.00 -1.03 0.00 0.00 54.13 51.41 1v5m s LEU 15 Cb -0.15 1.17 -0.15 0.00 0.03 0.00 0.00 46.19 47.09 1v5m s LEU 15 CO -0.09 -1.12 1.35 0.55 0.23 0.00 0.00 176.35 177.26 1v5m n VAL 16 N -0.46 0.53 0.50 -1.59 3.14 -1.26 -4.90 118.33 114.29 1v5m n VAL 16 Ca 0.01 -0.13 -0.21 0.00 -2.96 0.00 0.00 64.34 61.06 1v5m n VAL 16 Cb 0.63 -1.13 -0.10 0.00 -1.06 0.00 0.00 33.84 32.18 1v5m n VAL 16 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 1v5m h ASP 17 N 4.35 -1.19 -1.52 6.55 5.19 -2.00 -3.39 116.42 124.41 1v5m h ASP 17 Ca -0.45 0.05 -0.50 0.00 -0.62 0.00 0.00 57.03 55.51 1v5m h ASP 17 Cb 1.31 0.32 -0.00 0.00 0.18 0.00 0.00 39.33 41.14 1v5m h ASP 17 CO 0.77 -0.80 1.61 -0.38 -3.12 0.00 0.00 179.24 177.31 1v5m n ILE 18 N -5.66 0.02 -0.04 0.35 -0.00 -1.26 -4.33 119.36 108.43 1v5m n ILE 18 Ca -0.16 -0.64 -0.11 0.00 -0.00 0.00 0.00 62.75 61.83 1v5m n ILE 18 Cb 0.53 -2.51 -0.05 0.00 -0.00 0.00 0.00 39.64 37.61 1v5m n ILE 18 CO 0.00 0.00 0.00 1.56 -0.00 0.00 0.00 176.55 178.11 1v5m h GLN 19 N 17.72 0.25 -1.91 0.38 1.08 -1.46 -3.46 115.11 127.70 1v5m h GLN 19 Ca -0.26 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 56.86 1v5m h GLN 19 Cb 1.27 -0.03 -0.20 0.00 -0.05 0.00 0.00 27.48 28.46 1v5m h GLN 19 CO 1.13 0.38 0.25 0.50 -0.95 0.00 0.00 178.83 180.14 1v5m s ARG 20 N -5.35 0.92 -0.19 1.46 6.06 -1.23 -5.05 118.95 115.57 1v5m s ARG 20 Ca -0.14 0.41 -0.08 0.00 -2.50 0.00 0.00 55.73 53.42 1v5m s ARG 20 Cb 0.06 0.44 0.08 0.00 0.06 0.00 0.00 34.95 35.59 1v5m s ARG 20 CO 0.70 -0.25 0.42 -2.00 -2.50 0.00 0.00 175.30 171.68 1v5m s GLU 21 N -0.79 0.36 0.33 5.12 -6.30 -1.26 -1.00 118.70 115.16 1v5m s GLU 21 Ca -0.07 0.96 -0.07 0.00 -2.50 0.00 0.00 54.97 53.29 1v5m s GLU 21 Cb -0.01 0.21 0.03 0.00 0.00 0.00 0.00 34.13 34.35 1v5m s GLU 21 CO 0.06 -0.22 0.57 0.41 0.02 0.00 0.00 175.26 176.10 1v5m n GLY 22 N 4.97 1.65 3.11 -1.50 0.00 -0.73 -5.03 105.19 107.66 1v5m n GLY 22 Ca -0.14 -1.41 -0.33 0.00 0.00 0.00 0.00 46.02 44.15 1v5m n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v5m s ALA 23 N -2.30 2.49 0.27 4.61 0.00 -1.26 -0.97 121.76 124.60 1v5m s ALA 23 Ca 0.20 -1.49 -0.06 0.00 0.00 0.00 0.00 51.96 50.62 1v5m s ALA 23 Cb -0.03 -1.43 -0.01 0.00 0.00 0.00 0.00 23.12 21.65 1v5m s ALA 23 CO 0.15 -0.78 0.38 -0.48 0.00 0.00 0.00 175.76 175.03 1v5m s LEU 24 N 1.22 0.81 0.14 0.00 2.34 0.31 -4.94 118.68 118.55 1v5m s LEU 24 Ca -0.02 -1.26 -0.06 0.00 0.06 0.00 0.00 54.13 52.86 1v5m s LEU 24 Cb -0.16 1.26 -0.06 0.00 -0.56 0.00 0.00 46.19 46.67 1v5m s LEU 24 CO -0.08 -1.11 0.39 -0.13 -1.06 0.00 0.00 176.35 174.36 1v5m s ARG 25 N -3.73 3.65 0.07 1.48 0.52 -1.25 -0.74 118.95 118.94 1v5m s ARG 25 Ca 0.30 -0.03 0.02 0.00 -0.52 0.00 0.00 55.73 55.50 1v5m s ARG 25 Cb 0.02 -2.86 -0.03 0.00 0.52 0.00 0.00 34.95 32.60 1v5m s ARG 25 CO 0.14 0.47 -0.08 -0.59 0.02 0.00 0.00 175.30 175.26 1v5m s PHE 26 N -1.63 0.83 0.06 -0.53 -0.71 -0.41 -1.63 117.98 113.95 1v5m s PHE 26 Ca 0.40 -0.67 -0.15 0.00 -1.04 0.00 0.00 56.93 55.48 1v5m s PHE 26 Cb -0.12 -0.48 0.02 0.00 -1.21 0.00 0.00 43.02 41.23 1v5m s PHE 26 CO 0.23 -0.09 0.33 0.00 -1.34 0.00 0.00 175.22 174.36 1v5m s MET 27 N -2.55 0.87 -0.14 1.99 0.23 -0.51 -2.26 119.30 116.93 1v5m s MET 27 Ca 0.00 -0.52 -0.00 0.00 -1.03 0.00 0.00 55.69 54.14 1v5m s MET 27 Cb -0.04 0.38 -0.01 0.00 -1.53 0.00 0.00 34.83 33.63 1v5m s MET 27 CO -0.01 -0.29 -0.13 0.08 -2.03 0.00 0.00 175.02 172.63 1v5m s VAL 28 N -2.76 2.98 -0.51 5.16 1.01 -1.26 0.72 120.40 125.74 1v5m s VAL 28 Ca -0.03 -0.68 -0.27 0.00 0.00 0.00 0.00 61.98 61.00 1v5m s VAL 28 Cb -0.00 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1v5m s VAL 28 CO -0.05 0.52 2.09 0.00 0.00 0.00 0.00 175.10 177.66 1v5m s ALA 29 N 0.52 2.07 -0.18 5.51 0.00 -1.07 -4.89 121.76 123.71 1v5m s ALA 29 Ca -0.09 -0.20 -0.28 0.00 0.00 0.00 0.00 51.96 51.39 1v5m s ALA 29 Cb -0.16 -4.28 0.10 0.00 0.00 0.00 0.00 23.12 18.79 1v5m s ALA 29 CO 0.04 -3.92 0.87 0.16 0.00 0.00 0.00 175.76 172.92 1v5m s ASP 30 N 9.50 -0.54 0.30 0.00 1.47 -1.26 -4.79 116.67 121.35 1v5m s ASP 30 Ca 0.83 0.80 0.06 0.00 1.18 0.00 0.00 52.55 55.41 1v5m s ASP 30 Cb -0.17 0.73 -0.02 0.00 -0.34 0.00 0.00 42.92 43.12 1v5m s ASP 30 CO 0.25 -0.35 0.39 -1.81 0.68 0.00 0.00 175.17 174.33 1v5m s ASP 31 N -0.51 5.95 0.20 2.11 1.01 -1.26 -5.02 116.67 119.14 1v5m s ASP 31 Ca -0.03 -0.15 0.00 0.00 0.71 0.00 0.00 52.55 53.08 1v5m s ASP 31 Cb -0.02 -1.41 0.00 0.00 1.01 0.00 0.00 42.92 42.50 1v5m s ASP 31 CO 0.02 -0.27 0.00 0.00 0.21 0.00 0.00 175.17 175.13 1v5m n ALA 32 N -1.49 3.00 -3.64 5.23 0.00 -1.26 -5.16 120.51 117.19 1v5m n ALA 32 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.39 1v5m n ALA 32 Cb 0.58 0.11 -0.01 0.00 0.00 0.00 0.00 19.45 20.13 1v5m n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v5m s ALA 33 N -2.00 -2.05 -0.48 0.00 0.00 -1.26 -5.12 121.76 110.85 1v5m s ALA 33 Ca 0.00 0.73 -0.28 0.00 0.00 0.00 0.00 51.96 52.41 1v5m s ALA 33 Cb 0.00 0.35 0.03 0.00 0.00 0.00 0.00 23.12 23.50 1v5m s ALA 33 CO 0.00 -0.96 1.08 0.45 0.00 0.00 0.00 175.76 176.33 1v5m s SER 34 N -2.81 6.57 0.00 0.00 0.15 -1.26 -4.99 113.70 111.36 1v5m s SER 34 Ca 0.12 0.31 0.00 0.00 0.70 0.00 0.00 55.95 57.09 1v5m s SER 34 Cb 0.02 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 1v5m s SER 34 CO -0.03 -1.22 0.00 0.61 1.20 0.00 0.00 173.24 173.80 1v5m n GLY 35 N 4.90 5.48 3.56 9.45 0.00 -1.26 -5.06 105.19 122.27 1v5m n GLY 35 Ca 0.10 -1.81 -0.27 0.00 0.00 0.00 0.00 46.02 44.04 1v5m n GLY 35 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v5m s PRO 36 N -0.29 2.55 1.17 1.61 0.04 -1.26 -4.87 135.00 133.95 1v5m s PRO 36 Ca 0.00 -0.30 0.00 0.00 0.04 0.00 0.00 61.00 60.74 1v5m s PRO 36 Cb 0.00 -5.07 0.00 0.00 0.04 0.00 0.00 34.50 29.47 1v5m s PRO 36 CO 0.00 -3.39 0.00 0.41 0.04 0.00 0.00 177.00 174.06 1v5m n GLY 37 N 6.84 0.59 2.53 0.56 0.00 -1.26 -4.97 105.19 109.48 1v5m n GLY 37 Ca 0.40 -0.83 -0.03 0.00 0.00 0.00 0.00 46.02 45.57 1v5m n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v5m n GLY 38 N 0.00 -4.55 0.22 -0.02 0.00 -1.26 -5.01 105.19 94.56 1v5m n GLY 38 Ca 0.00 0.93 -0.08 0.00 0.00 0.00 0.00 46.02 46.87 1v5m n GLY 38 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1v5m n THR 39 N 1.88 0.57 -3.97 2.61 -1.04 -1.26 -4.92 114.28 108.15 1v5m n THR 39 Ca -0.21 -0.20 -0.31 0.00 -2.04 0.00 0.00 64.05 61.29 1v5m n THR 39 Cb 0.33 -1.06 -0.14 0.00 -1.82 0.00 0.00 70.33 67.63 1v5m n THR 39 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1v5m s ALA 40 N -2.20 3.07 -0.23 2.41 0.00 -1.26 -4.99 121.76 118.56 1v5m s ALA 40 Ca -0.14 -2.81 -0.13 0.00 0.00 0.00 0.00 51.96 48.88 1v5m s ALA 40 Cb 0.04 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 21.04 1v5m s ALA 40 CO 0.22 -1.82 0.29 1.14 0.00 0.00 0.00 175.76 175.58 1v5m s GLN 41 N 0.48 4.10 0.73 0.00 -2.07 -1.26 -5.08 119.66 116.56 1v5m s GLN 41 Ca 0.13 -0.04 -0.11 0.00 -1.82 0.00 0.00 55.36 53.52 1v5m s GLN 41 Cb -0.22 -3.56 0.03 0.00 -1.09 0.00 0.00 33.01 28.17 1v5m s GLN 41 CO -0.05 -0.03 1.09 -1.58 -1.32 0.00 0.00 175.29 173.39 1v5m s TRP 42 N 1.32 3.17 -0.05 9.60 0.52 -1.26 -4.83 118.94 127.41 1v5m s TRP 42 Ca 0.13 1.15 -0.01 0.00 0.02 0.00 0.00 56.10 57.39 1v5m s TRP 42 Cb -0.14 -3.03 0.03 0.00 -1.15 0.00 0.00 33.47 29.18 1v5m s TRP 42 CO 0.07 -1.33 0.03 -0.65 0.02 0.00 0.00 176.95 175.09 1v5m s GLN 43 N -5.24 0.18 0.21 4.98 -0.21 -0.96 -4.95 119.66 113.68 1v5m s GLN 43 Ca 0.59 0.24 -0.32 0.00 0.02 0.00 0.00 55.36 55.88 1v5m s GLN 43 Cb -0.12 -0.62 -0.13 0.00 1.00 0.00 0.00 33.01 33.14 1v5m s GLN 43 CO 0.53 -0.28 1.56 1.63 -2.12 0.00 0.00 175.29 176.62 1v5m n LYS 44 N 4.98 2.31 -3.86 2.91 5.02 -1.26 -1.29 118.16 126.97 1v5m n LYS 44 Ca -0.10 0.83 -0.09 0.00 -2.02 0.00 0.00 58.31 56.93 1v5m n LYS 44 Cb 0.50 -2.58 -0.00 0.00 -0.02 0.00 0.00 35.03 32.92 1v5m n LYS 44 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1v5m s ARG 46 N -3.07 2.02 -0.30 0.00 3.52 -0.72 -0.53 118.95 119.87 1v5m s ARG 46 Ca 0.16 -0.45 -0.23 0.00 -0.13 0.00 0.00 55.73 55.07 1v5m s ARG 46 Cb -0.05 -1.92 -0.00 0.00 -1.56 0.00 0.00 34.95 31.42 1v5m s ARG 46 CO 0.10 -0.25 0.78 -1.17 -0.81 0.00 0.00 175.30 173.96 1v5m s LEU 47 N 1.57 4.08 -0.20 -0.88 2.96 -0.14 -2.77 118.68 123.30 1v5m s LEU 47 Ca 0.05 0.70 -0.02 0.00 -0.22 0.00 0.00 54.13 54.64 1v5m s LEU 47 Cb -0.13 -3.07 0.00 0.00 0.50 0.00 0.00 46.19 43.49 1v5m s LEU 47 CO -0.10 -0.59 -0.11 -0.22 -1.32 0.00 0.00 176.35 174.01 1v5m s LEU 48 N 2.92 2.57 -0.40 -0.68 2.96 -1.15 -1.78 118.68 123.12 1v5m s LEU 48 Ca 0.32 -0.50 -0.02 0.00 -0.22 0.00 0.00 54.13 53.72 1v5m s LEU 48 Cb -0.14 -1.63 0.11 0.00 0.50 0.00 0.00 46.19 45.03 1v5m s LEU 48 CO 0.12 -0.01 0.18 -0.22 -1.32 0.00 0.00 176.35 175.10 1v5m s LEU 49 N 1.37 5.19 0.08 -0.68 0.20 -0.17 -3.28 118.68 121.39 1v5m s LEU 49 Ca 0.05 -2.05 0.01 0.00 0.69 0.00 0.00 54.13 52.83 1v5m s LEU 49 Cb -0.14 -1.80 -0.04 0.00 -0.43 0.00 0.00 46.19 43.78 1v5m s LEU 49 CO -0.07 -0.52 -0.06 0.00 -0.29 0.00 0.00 176.35 175.41 1v5m s ARG 50 N 1.11 0.72 0.77 1.98 1.70 -1.26 -1.46 118.95 122.51 1v5m s ARG 50 Ca 0.09 -1.19 -0.12 0.00 -0.47 0.00 0.00 55.73 54.04 1v5m s ARG 50 Cb -0.22 -0.14 0.06 0.00 -0.57 0.00 0.00 34.95 34.08 1v5m s ARG 50 CO -0.05 -0.02 1.13 1.03 -1.08 0.00 0.00 175.30 176.31 1v5m s ARG 51 N -3.37 2.11 -0.16 3.89 1.81 -1.26 -3.18 118.95 118.78 1v5m s ARG 51 Ca 0.06 1.40 0.00 0.00 -1.72 0.00 0.00 55.73 55.47 1v5m s ARG 51 Cb 0.03 -1.86 0.00 0.00 -0.45 0.00 0.00 34.95 32.67 1v5m s ARG 51 CO -0.05 -1.79 -0.16 0.00 -0.68 0.00 0.00 175.30 172.62 1v5m s ALA 52 N -2.57 2.45 0.31 2.13 0.00 0.10 -4.82 121.76 119.37 1v5m s ALA 52 Ca 0.66 -1.10 -0.04 0.00 0.00 0.00 0.00 51.96 51.48 1v5m s ALA 52 Cb -0.21 -1.22 -0.05 0.00 0.00 0.00 0.00 23.12 21.64 1v5m s ALA 52 CO 0.51 -0.13 0.57 0.14 0.00 0.00 0.00 175.76 176.84 1v5m s VAL 53 N 0.97 5.04 -1.29 0.00 -7.23 -1.26 -4.19 120.40 112.44 1v5m s VAL 53 Ca -0.02 -0.04 -0.08 0.00 -1.81 0.00 0.00 61.98 60.03 1v5m s VAL 53 Cb -0.15 -3.77 0.01 0.00 0.56 0.00 0.00 36.38 33.04 1v5m s VAL 53 CO -0.03 -0.40 0.14 0.00 -0.31 0.00 0.00 175.10 174.50 1v5m n ALA 54 N -1.19 -2.01 -2.00 1.32 0.00 -1.26 -4.56 120.51 110.81 1v5m n ALA 54 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1v5m n ALA 54 Cb 0.54 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1v5m n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1v5m n GLY 55 N -2.29 -1.19 3.58 0.00 0.00 -1.26 -5.17 105.19 98.86 1v5m n GLY 55 Ca -0.24 0.70 -0.25 0.00 0.00 0.00 0.00 46.02 46.23 1v5m n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1v5m s GLU 56 N 1.31 1.96 0.06 1.61 2.56 -1.26 -5.07 118.70 119.86 1v5m s GLU 56 Ca 0.00 -1.78 -0.21 0.00 0.00 0.00 0.00 54.97 52.97 1v5m s GLU 56 Cb 0.00 -1.86 -0.10 0.00 2.00 0.00 0.00 34.13 34.18 1v5m s GLU 56 CO 0.00 0.18 1.33 0.00 -0.56 0.00 0.00 175.26 176.21 1v5m h ARG 57 N 1.94 -0.52 -5.23 4.30 -0.00 -1.97 -3.19 114.38 109.72 1v5m h ARG 57 Ca -0.42 0.04 -0.48 0.00 -0.50 0.00 0.00 59.98 58.61 1v5m h ARG 57 Cb 1.25 0.12 -0.14 0.00 0.00 0.00 0.00 29.97 31.20 1v5m h ARG 57 CO 0.66 -0.34 -0.60 -0.06 0.00 0.00 0.00 179.97 179.63 1v5m s PHE 58 N -4.68 1.97 -0.27 3.04 0.08 -1.26 0.03 117.98 116.89 1v5m s PHE 58 Ca -0.10 -0.97 -0.12 0.00 0.12 0.00 0.00 56.93 55.86 1v5m s PHE 58 Cb 0.03 -1.30 0.09 0.00 -0.57 0.00 0.00 43.02 41.28 1v5m s PHE 58 CO 0.36 0.01 0.62 0.50 -0.10 0.00 0.00 175.22 176.61 1v5m s ARG 59 N -3.88 0.59 -0.10 0.44 3.52 -1.19 -1.61 118.95 116.72 1v5m s ARG 59 Ca 0.36 1.23 -0.14 0.00 -0.13 0.00 0.00 55.73 57.04 1v5m s ARG 59 Cb 0.08 0.37 -0.05 0.00 -1.56 0.00 0.00 34.95 33.80 1v5m s ARG 59 CO 0.15 -0.18 0.35 -0.51 -0.81 0.00 0.00 175.30 174.31 1v5m s LEU 60 N 2.10 4.33 -0.11 -0.88 2.01 0.11 -4.15 118.68 122.09 1v5m s LEU 60 Ca -0.08 0.70 0.03 0.00 0.01 0.00 0.00 54.13 54.78 1v5m s LEU 60 Cb -0.08 -2.48 0.01 0.00 0.01 0.00 0.00 46.19 43.65 1v5m s LEU 60 CO -0.18 0.17 -0.19 -1.61 1.01 0.00 0.00 176.35 175.54 1v5m s GLU 61 N -0.05 2.59 -0.84 1.70 8.01 -1.21 -0.34 118.70 128.58 1v5m s GLU 61 Ca 0.20 -0.71 -0.07 0.00 0.01 0.00 0.00 54.97 54.40 1v5m s GLU 61 Cb -0.14 -2.07 0.21 0.00 -4.31 0.00 0.00 34.13 27.82 1v5m s GLU 61 CO 0.08 0.05 0.74 -0.06 0.01 0.00 0.00 175.26 176.07 1v5m s PHE 62 N 0.68 3.78 -0.36 1.61 0.40 -1.24 -2.95 117.98 119.89 1v5m s PHE 62 Ca -0.12 -2.56 -0.28 0.00 -0.60 0.00 0.00 56.93 53.36 1v5m s PHE 62 Cb -0.16 -3.51 -0.01 0.00 0.51 0.00 0.00 43.02 39.84 1v5m s PHE 62 CO 0.03 -0.88 1.75 -0.06 0.70 0.00 0.00 175.22 176.76 1v5m s PHE 63 N -0.50 1.87 -0.28 0.36 0.08 -1.11 -2.02 117.98 116.38 1v5m s PHE 63 Ca 0.22 0.64 0.01 0.00 0.12 0.00 0.00 56.93 57.92 1v5m s PHE 63 Cb -0.12 -4.15 0.08 0.00 -0.57 0.00 0.00 43.02 38.26 1v5m s PHE 63 CO -0.08 -2.78 0.02 0.08 -0.10 0.00 0.00 175.22 172.36 1v5m s VAL 64 N 6.87 1.43 1.02 -0.44 1.01 -1.26 -0.23 120.40 128.80 1v5m s VAL 64 Ca 0.76 -1.47 -0.13 0.00 0.00 0.00 0.00 61.98 61.15 1v5m s VAL 64 Cb -0.21 -1.90 0.20 0.00 0.00 0.00 0.00 36.38 34.48 1v5m s VAL 64 CO 0.32 -0.38 1.09 -2.16 0.00 0.00 0.00 175.10 173.98 1v5m s PRO 65 N 1.39 0.26 0.00 2.72 0.04 -1.26 -4.72 135.00 133.43 1v5m s PRO 65 Ca 0.03 0.46 0.13 0.00 0.04 0.00 0.00 61.00 61.66 1v5m s PRO 65 Cb -0.18 -1.72 0.79 0.00 0.04 0.00 0.00 34.50 33.43 1v5m s PRO 65 CO -0.12 -2.83 1.22 -0.35 0.04 0.00 0.00 177.00 174.95 1v5m n PRO 66 N -4.24 0.49 -0.03 0.56 -0.04 0.69 -1.76 135.00 130.67 1v5m n PRO 66 Ca 0.05 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.52 1v5m n PRO 66 Cb 0.57 -1.42 0.03 0.00 -0.04 0.00 0.00 33.50 32.64 1v5m n PRO 66 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1v5m n LYS 67 N -0.92 2.39 -0.85 0.54 4.81 -1.26 -4.75 118.16 118.11 1v5m n LYS 67 Ca 0.10 -1.46 -0.31 0.00 -0.87 0.00 0.00 58.31 55.77 1v5m n LYS 67 Cb 0.05 -1.06 0.27 0.00 0.02 0.00 0.00 35.03 34.31 1v5m n LYS 67 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1v5m s ALA 68 N -0.87 0.15 -0.10 3.14 0.00 -0.72 -4.97 121.76 118.38 1v5m s ALA 68 Ca 0.05 -1.03 0.16 0.00 0.00 0.00 0.00 51.96 51.14 1v5m s ALA 68 Cb 0.02 -2.85 -0.14 0.00 0.00 0.00 0.00 23.12 20.15 1v5m s ALA 68 CO 0.03 -4.04 0.86 0.66 0.00 0.00 0.00 175.76 173.27 1v5m h SER 69 N -2.98 0.00 -5.10 0.00 4.64 -1.97 -3.48 113.55 104.67 1v5m h SER 69 Ca -0.42 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.78 1v5m h SER 69 Cb 1.30 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.22 1v5m h SER 69 CO 0.27 0.66 -0.54 0.00 -0.87 0.00 0.00 176.83 176.35 1v5m s ARG 70 N -2.87 0.60 0.30 4.77 1.70 -1.26 -5.15 118.95 117.04 1v5m s ARG 70 Ca -0.03 -0.80 -0.29 0.00 -0.47 0.00 0.00 55.73 54.14 1v5m s ARG 70 Cb 0.08 0.23 -0.10 0.00 -0.57 0.00 0.00 34.95 34.60 1v5m s ARG 70 CO 0.81 -0.15 1.24 -1.25 -1.08 0.00 0.00 175.30 174.87 1v5m s PRO 71 N -2.76 4.46 -0.10 3.89 0.04 -1.26 -4.58 135.00 134.69 1v5m s PRO 71 Ca -0.04 2.05 -0.24 0.00 0.04 0.00 0.00 61.00 62.81 1v5m s PRO 71 Cb -0.00 -3.13 -0.28 0.00 0.04 0.00 0.00 34.50 31.13 1v5m s PRO 71 CO -0.05 -0.06 0.79 -0.22 0.04 0.00 0.00 177.00 177.49 1v5m h LYS 72 N 3.80 0.16 -2.26 4.56 3.64 -1.69 -3.39 116.57 121.38 1v5m h LYS 72 Ca -0.48 -0.27 -0.60 0.00 -1.27 0.00 0.00 60.65 58.03 1v5m h LYS 72 Cb 1.22 0.10 -0.42 0.00 -0.41 0.00 0.00 32.23 32.73 1v5m h LYS 72 CO 0.67 1.13 -0.58 0.28 -2.27 0.00 0.00 179.45 178.69 1v5m n VAL 73 N -4.32 2.96 -2.19 2.00 0.31 -1.20 -5.01 118.33 110.87 1v5m n VAL 73 Ca -0.14 -5.49 -0.38 0.00 -0.01 0.00 0.00 64.34 58.31 1v5m n VAL 73 Cb 0.68 -1.62 -0.03 0.00 -0.91 0.00 0.00 33.84 31.96 1v5m n VAL 73 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1v5m s SER 74 N -3.13 5.53 -0.11 4.52 1.04 -1.26 -3.60 113.70 116.68 1v5m s SER 74 Ca 0.46 0.00 -0.02 0.00 0.48 0.00 0.00 55.95 56.88 1v5m s SER 74 Cb 0.24 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.79 1v5m s SER 74 CO -0.10 -2.24 -0.05 -0.63 0.98 0.00 0.00 173.24 171.20 1v5m s ILE 75 N 8.17 3.83 0.55 -1.02 1.01 0.54 -4.97 121.20 129.30 1v5m s ILE 75 Ca 0.58 -0.40 -0.19 0.00 0.00 0.00 0.00 60.65 60.64 1v5m s ILE 75 Cb -0.11 -2.63 -0.06 0.00 0.01 0.00 0.00 42.46 39.68 1v5m s ILE 75 CO 0.17 0.55 1.13 -2.16 0.00 0.00 0.00 174.94 174.62 1v5m s PRO 76 N -0.23 3.33 0.32 2.79 0.04 -1.26 0.05 135.00 140.04 1v5m s PRO 76 Ca 0.04 1.60 0.24 0.00 0.04 0.00 0.00 61.00 62.93 1v5m s PRO 76 Cb -0.13 -2.00 1.15 0.00 0.04 0.00 0.00 34.50 33.56 1v5m s PRO 76 CO 0.02 -0.87 1.74 1.25 0.04 0.00 0.00 177.00 179.19 1v5m h LEU 77 N 1.15 0.00 0.02 -3.56 7.12 -1.62 -1.92 115.31 116.50 1v5m h LEU 77 Ca -0.50 0.00 -0.22 0.00 0.13 0.00 0.00 57.88 57.29 1v5m h LEU 77 Cb 1.26 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.37 1v5m h LEU 77 CO 0.57 0.00 -1.05 0.77 -0.13 0.00 0.00 178.44 178.60 1v5m h SER 78 N 0.00 0.05 -0.84 1.25 4.64 -1.91 -3.29 113.55 113.45 1v5m h SER 78 Ca 0.00 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.23 1v5m h SER 78 Cb 0.21 -0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 62.24 1v5m h SER 78 CO 0.00 1.05 0.39 0.00 -0.87 0.00 0.00 176.83 177.40 1v5m h ALA 79 N 0.94 1.08 -2.08 5.18 0.00 -1.72 -3.42 119.26 119.25 1v5m h ALA 79 Ca -0.03 -0.17 -0.57 0.00 0.00 0.00 0.00 54.91 54.14 1v5m h ALA 79 Cb 1.80 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 19.27 1v5m h ALA 79 CO 0.14 0.66 1.40 -0.89 0.00 0.00 0.00 179.25 180.56 1v5m n ILE 80 N -4.31 0.48 -0.10 0.00 2.08 -1.24 -1.07 119.36 115.20 1v5m n ILE 80 Ca 0.08 -0.35 -0.14 0.00 0.56 0.00 0.00 62.75 62.90 1v5m n ILE 80 Cb 0.15 -2.46 -0.14 0.00 -0.75 0.00 0.00 39.64 36.44 1v5m n ILE 80 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 1v5m n ILE 81 N 6.99 1.47 -3.70 1.39 -5.35 -0.53 -4.94 119.36 114.68 1v5m n ILE 81 Ca 0.27 -0.72 -0.14 0.00 -0.27 0.00 0.00 62.75 61.90 1v5m n ILE 81 Cb 0.43 -0.98 -0.09 0.00 -1.74 0.00 0.00 39.64 37.25 1v5m n ILE 81 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1v5m s GLU 82 N -2.51 0.62 -0.38 6.28 -6.30 -0.96 -5.06 118.70 110.39 1v5m s GLU 82 Ca -0.22 0.55 0.00 0.00 -2.50 0.00 0.00 54.97 52.81 1v5m s GLU 82 Cb 0.07 0.30 0.11 0.00 0.00 0.00 0.00 34.13 34.61 1v5m s GLU 82 CO 0.72 -0.10 0.14 0.54 0.02 0.00 0.00 175.26 176.58 1v5m s VAL 83 N -0.03 2.81 -0.71 3.70 0.11 -1.26 0.12 120.40 125.14 1v5m s VAL 83 Ca -0.02 -2.22 -0.26 0.00 -2.93 0.00 0.00 61.98 56.54 1v5m s VAL 83 Cb -0.03 -2.99 0.00 0.00 -1.53 0.00 0.00 36.38 31.83 1v5m s VAL 83 CO 0.02 -0.65 1.58 -0.13 -3.33 0.00 0.00 175.10 172.58 1v5m s ARG 84 N 0.99 2.94 -0.20 1.54 0.52 -0.02 -4.81 118.95 119.91 1v5m s ARG 84 Ca 0.10 0.06 -0.00 0.00 -0.52 0.00 0.00 55.73 55.37 1v5m s ARG 84 Cb -0.21 -4.40 0.17 0.00 0.52 0.00 0.00 34.95 31.03 1v5m s ARG 84 CO -0.06 -2.48 1.82 0.25 0.02 0.00 0.00 175.30 174.85 1v5m n THR 85 N 6.86 2.32 -4.24 0.02 -2.24 -1.26 -0.23 114.28 115.50 1v5m n THR 85 Ca 0.15 -1.12 -0.18 0.00 -2.27 0.00 0.00 64.05 60.63 1v5m n THR 85 Cb 0.50 -1.23 -0.13 0.00 -2.10 0.00 0.00 70.33 67.37 1v5m n THR 85 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1v5m s THR 86 N -1.46 0.94 0.31 4.28 2.01 -1.26 -4.93 115.64 115.53 1v5m s THR 86 Ca 0.21 -1.01 0.10 0.00 0.31 0.00 0.00 61.69 61.30 1v5m s THR 86 Cb 0.17 -0.88 -0.06 0.00 0.01 0.00 0.00 72.50 71.73 1v5m s THR 86 CO 0.01 -0.11 -0.13 -0.04 -0.69 0.00 0.00 174.62 173.65 1v5m s MET 87 N -1.26 1.74 0.00 4.92 -1.94 -1.26 -4.81 119.30 116.68 1v5m s MET 87 Ca -0.01 -1.86 0.00 0.00 -1.71 0.00 0.00 55.69 52.11 1v5m s MET 87 Cb -0.08 -1.68 0.00 0.00 2.01 0.00 0.00 34.83 35.08 1v5m s MET 87 CO 0.01 0.20 0.00 -0.35 -0.01 0.00 0.00 175.02 174.88 1v5m n PRO 88 N -0.70 0.37 -0.40 2.03 -0.04 -1.26 -4.87 135.00 130.12 1v5m n PRO 88 Ca -0.05 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.35 1v5m n PRO 88 Cb 0.62 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.16 1v5m n PRO 88 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1v5m n LEU 89 N 0.00 3.94 -2.28 1.53 -0.00 -1.26 -4.04 117.00 114.89 1v5m n LEU 89 Ca 0.00 -2.04 -0.21 0.00 -0.00 0.00 0.00 56.01 53.77 1v5m n LEU 89 Cb 0.00 -0.61 0.02 0.00 -0.00 0.00 0.00 43.42 42.83 1v5m n LEU 89 CO 0.00 0.62 0.14 1.21 -0.00 0.00 0.00 177.39 179.36 1v5m n GLU 90 N -0.01 3.19 -3.75 1.47 0.00 -1.26 -5.02 120.64 115.25 1v5m n GLU 90 Ca 0.18 -4.12 -0.12 0.00 0.00 0.00 0.00 57.16 53.10 1v5m n GLU 90 Cb 0.84 -2.13 -0.12 0.00 0.00 0.00 0.00 31.44 30.04 1v5m n GLU 90 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.13 178.54 1v5m s MET 91 N -3.58 0.31 0.00 5.31 1.75 -1.26 -5.02 119.30 116.81 1v5m s MET 91 Ca 0.46 0.48 0.00 0.00 -1.25 0.00 0.00 55.69 55.37 1v5m s MET 91 Cb 0.40 0.07 0.00 0.00 2.84 0.00 0.00 34.83 38.14 1v5m s MET 91 CO -0.03 -0.08 0.26 -0.35 -0.65 0.00 0.00 175.02 174.17 1v5m n PRO 92 N 3.38 0.49 -3.86 4.11 -0.04 -1.26 -4.78 135.00 133.04 1v5m n PRO 92 Ca -0.17 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.99 1v5m n PRO 92 Cb 0.56 -1.25 0.01 0.00 -0.04 0.00 0.00 33.50 32.79 1v5m n PRO 92 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1v5m n GLU 93 N 0.29 -2.09 0.00 0.54 0.28 -1.26 -4.85 120.64 113.55 1v5m n GLU 93 Ca 0.00 0.38 0.13 0.00 -0.16 0.00 0.00 57.16 57.52 1v5m n GLU 93 Cb 0.13 -4.14 0.43 0.00 1.43 0.00 0.00 31.44 29.30 1v5m n GLU 93 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1v5m n LYS 94 N -4.39 1.58 -4.10 3.44 -0.00 -1.26 -4.96 118.16 108.48 1v5m n LYS 94 Ca -0.20 -1.00 -0.36 0.00 -0.00 0.00 0.00 58.31 56.75 1v5m n LYS 94 Cb 0.64 -1.48 -0.04 0.00 -0.00 0.00 0.00 35.03 34.15 1v5m n LYS 94 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1v5m n ASP 95 N 0.16 -1.39 -0.53 -5.58 8.00 -1.26 -4.21 116.55 111.74 1v5m n ASP 95 Ca 0.17 -1.17 0.05 0.00 0.71 0.00 0.00 54.79 54.54 1v5m n ASP 95 Cb 0.39 -1.43 0.07 0.00 -0.02 0.00 0.00 41.12 40.13 1v5m n ASP 95 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1v5m n ASN 96 N -2.20 1.13 -3.29 -2.24 6.94 -1.26 -2.88 115.26 111.46 1v5m n ASN 96 Ca -0.20 -2.59 -0.19 0.00 -0.02 0.00 0.00 54.58 51.58 1v5m n ASN 96 Cb 0.57 -0.33 -0.08 0.00 -2.36 0.00 0.00 39.78 37.58 1v5m n ASN 96 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1v5m s THR 97 N -1.34 0.00 -0.24 5.53 -4.23 -1.26 -0.18 115.64 113.92 1v5m s THR 97 Ca 0.20 -1.96 -0.27 0.00 -1.18 0.00 0.00 61.69 58.48 1v5m s THR 97 Cb 0.20 -2.52 0.14 0.00 1.34 0.00 0.00 72.50 71.65 1v5m s THR 97 CO -0.02 0.00 1.08 0.72 -0.54 0.00 0.00 174.62 175.86 1v5m s PHE 98 N -3.36 -0.37 -0.16 3.99 -0.12 -1.03 -4.89 117.98 112.05 1v5m s PHE 98 Ca 0.40 0.80 -0.08 0.00 -0.05 0.00 0.00 56.93 57.99 1v5m s PHE 98 Cb 0.02 0.41 -0.04 0.00 -0.63 0.00 0.00 43.02 42.78 1v5m s PHE 98 CO 0.28 -0.24 0.13 0.08 -0.05 0.00 0.00 175.22 175.43 1v5m s VAL 99 N -0.33 5.44 -0.40 -2.49 1.01 0.68 -2.27 120.40 122.04 1v5m s VAL 99 Ca 0.02 0.19 -0.05 0.00 0.00 0.00 0.00 61.98 62.15 1v5m s VAL 99 Cb -0.03 -3.43 0.09 0.00 0.00 0.00 0.00 36.38 33.01 1v5m s VAL 99 CO -0.05 0.53 0.19 -0.76 0.00 0.00 0.00 175.10 175.01 1v5m s LEU 100 N -0.33 5.01 -0.49 3.92 1.43 -0.99 -0.84 118.68 126.40 1v5m s LEU 100 Ca 0.11 -1.76 -0.22 0.00 -1.03 0.00 0.00 54.13 51.24 1v5m s LEU 100 Cb -0.12 -1.86 0.04 0.00 0.03 0.00 0.00 46.19 44.29 1v5m s LEU 100 CO 0.01 -0.50 0.75 -0.75 0.23 0.00 0.00 176.35 176.09 1v5m s LYS 101 N 1.24 3.27 0.83 1.70 2.36 0.12 -2.30 119.74 126.97 1v5m s LYS 101 Ca 0.04 -0.43 -0.07 0.00 -2.55 0.00 0.00 55.97 52.96 1v5m s LYS 101 Cb -0.22 -4.02 0.17 0.00 -1.05 0.00 0.00 37.83 32.70 1v5m s LYS 101 CO -0.02 -1.22 1.14 0.14 1.55 0.00 0.00 175.35 176.94 1v5m s VAL 102 N 3.17 2.05 0.30 4.02 -7.23 -0.80 -1.46 120.40 120.46 1v5m s VAL 102 Ca 0.24 -0.35 0.24 0.00 -1.81 0.00 0.00 61.98 60.30 1v5m s VAL 102 Cb -0.15 -2.69 0.24 0.00 0.56 0.00 0.00 36.38 34.34 1v5m s VAL 102 CO 0.18 0.00 1.94 1.05 -0.31 0.00 0.00 175.10 177.96 1v5m h GLU 103 N -1.03 0.00 -1.41 4.82 -0.00 -1.45 -2.87 114.58 112.64 1v5m h GLU 103 Ca -0.39 0.00 -0.29 0.00 -0.00 0.00 0.00 59.36 58.68 1v5m h GLU 103 Cb 1.25 0.00 -0.13 0.00 -0.00 0.00 0.00 28.75 29.86 1v5m h GLU 103 CO 0.37 0.20 0.38 0.09 -0.00 0.00 0.00 179.01 180.05 1v5m n ASN 104 N -3.60 5.67 -3.96 3.06 5.03 -1.26 -4.87 115.26 115.34 1v5m n ASN 104 Ca -0.01 -2.97 -0.37 0.00 0.87 0.00 0.00 54.58 52.10 1v5m n ASN 104 Cb 0.34 -0.96 0.01 0.00 -1.02 0.00 0.00 39.78 38.15 1v5m n ASN 104 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1v5m n GLY 105 N 0.24 -0.81 2.84 7.41 0.00 -1.08 -4.94 105.19 108.84 1v5m n GLY 105 Ca 0.28 0.34 -0.21 0.00 0.00 0.00 0.00 46.02 46.43 1v5m n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v5m s ALA 106 N -3.54 0.65 -0.17 4.61 0.00 -1.26 -4.96 121.76 117.09 1v5m s ALA 106 Ca 0.34 -0.06 -0.08 0.00 0.00 0.00 0.00 51.96 52.16 1v5m s ALA 106 Cb -0.19 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 1v5m s ALA 106 CO 0.83 -0.19 0.09 -1.21 0.00 0.00 0.00 175.76 175.29 1v5m s GLU 107 N 1.32 3.86 -0.32 0.00 2.02 -1.25 -1.91 118.70 122.42 1v5m s GLU 107 Ca -0.05 -0.26 0.03 0.00 0.02 0.00 0.00 54.97 54.71 1v5m s GLU 107 Cb -0.13 -3.24 0.09 0.00 0.10 0.00 0.00 34.13 30.94 1v5m s GLU 107 CO -0.02 0.42 0.02 0.71 0.02 0.00 0.00 175.26 176.41 1v5m s TYR 108 N -0.02 3.63 -0.55 1.61 1.51 -0.97 -2.61 117.35 119.94 1v5m s TYR 108 Ca 0.08 -2.79 -0.25 0.00 -1.01 0.00 0.00 57.07 53.10 1v5m s TYR 108 Cb -0.12 -2.69 0.04 0.00 -0.11 0.00 0.00 41.96 39.09 1v5m s TYR 108 CO 0.00 -0.93 1.00 0.42 -1.11 0.00 0.00 175.55 174.94 1v5m s ILE 109 N 0.97 4.30 -0.09 2.71 1.01 0.22 -2.35 121.20 127.97 1v5m s ILE 109 Ca 0.06 0.45 -0.03 0.00 0.00 0.00 0.00 60.65 61.13 1v5m s ILE 109 Cb -0.19 -4.58 -0.03 0.00 0.01 0.00 0.00 42.46 37.66 1v5m s ILE 109 CO -0.07 -1.16 0.02 -0.76 0.00 0.00 0.00 174.94 172.98 1v5m s LEU 110 N 4.19 3.71 -0.31 2.97 1.02 -0.96 -1.43 118.68 127.88 1v5m s LEU 110 Ca 0.34 0.20 -0.05 0.00 0.02 0.00 0.00 54.13 54.63 1v5m s LEU 110 Cb -0.11 -1.86 0.03 0.00 0.02 0.00 0.00 46.19 44.27 1v5m s LEU 110 CO 0.21 0.38 0.06 -0.70 0.02 0.00 0.00 176.35 176.33 1v5m s GLU 111 N -0.91 2.75 0.60 1.70 2.12 -0.65 -2.45 118.70 121.86 1v5m s GLU 111 Ca 0.14 -1.07 0.03 0.00 0.36 0.00 0.00 54.97 54.42 1v5m s GLU 111 Cb -0.11 -3.34 0.07 0.00 0.26 0.00 0.00 34.13 31.01 1v5m s GLU 111 CO 0.03 -0.56 0.83 0.95 -0.54 0.00 0.00 175.26 175.96 1v5m s THR 112 N 1.40 2.42 0.00 -1.70 -4.23 0.75 -3.82 115.64 110.46 1v5m s THR 112 Ca -0.01 -0.75 0.00 0.00 -1.18 0.00 0.00 61.69 59.75 1v5m s THR 112 Cb -0.19 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 70.98 1v5m s THR 112 CO 0.01 0.00 0.73 -0.38 -0.54 0.00 0.00 174.62 174.44 1v5m n ILE 113 N -2.43 0.00 -3.99 2.99 2.08 -1.26 -4.82 119.36 111.93 1v5m n ILE 113 Ca 0.12 1.23 -0.12 0.00 0.56 0.00 0.00 62.75 64.54 1v5m n ILE 113 Cb 0.60 -1.79 -0.03 0.00 -0.75 0.00 0.00 39.64 37.68 1v5m n ILE 113 CO 0.00 0.00 0.00 -1.81 0.56 0.00 0.00 176.55 175.30 1v5m s ASP 114 N -2.88 0.44 0.50 4.38 1.01 -1.26 -4.97 116.67 113.89 1v5m s ASP 114 Ca 0.00 -1.26 0.42 0.00 0.71 0.00 0.00 52.55 52.42 1v5m s ASP 114 Cb 0.00 0.70 1.63 0.00 1.01 0.00 0.00 42.92 46.25 1v5m s ASP 114 CO 0.00 -1.37 1.56 -1.54 0.21 0.00 0.00 175.17 174.03 1v5m n SER 115 N -1.17 0.10 0.41 0.27 3.41 -1.14 -0.23 113.62 115.27 1v5m n SER 115 Ca -0.02 1.17 -0.18 0.00 -0.26 0.00 0.00 58.87 59.58 1v5m n SER 115 Cb 0.61 -0.58 -0.09 0.00 -0.26 0.00 0.00 64.21 63.89 1v5m n SER 115 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1v5m h LEU 116 N 0.00 -1.10 -0.35 1.04 3.38 -1.95 0.15 115.31 116.49 1v5m h LEU 116 Ca 0.91 0.06 -0.18 0.00 0.09 0.00 0.00 57.88 58.76 1v5m h LEU 116 Cb 3.36 0.31 -0.00 0.00 0.09 0.00 0.00 40.66 44.42 1v5m h LEU 116 CO -0.22 -0.69 -0.51 1.56 0.09 0.00 0.00 178.44 178.67 1v5m h GLN 117 N -1.12 0.86 0.29 1.13 4.20 -1.00 -2.83 115.11 116.64 1v5m h GLN 117 Ca -0.10 -0.52 0.00 0.00 0.06 0.00 0.00 58.65 58.09 1v5m h GLN 117 Cb 0.89 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.68 1v5m h GLN 117 CO 0.12 1.16 -0.45 -0.22 -0.67 0.00 0.00 178.83 178.78 1v5m h LYS 118 N 0.67 -0.77 -0.17 1.46 3.11 -0.59 0.70 116.57 120.98 1v5m h LYS 118 Ca 0.02 0.05 0.05 0.00 -2.81 0.00 0.00 60.65 57.96 1v5m h LYS 118 Cb 1.11 0.18 -0.01 0.00 -1.00 0.00 0.00 32.23 32.51 1v5m h LYS 118 CO 0.11 -0.51 0.12 1.25 -2.81 0.00 0.00 179.45 177.61 1v5m h HIS 119 N -0.80 0.01 -0.27 1.91 2.76 -1.03 -1.77 115.15 115.97 1v5m h HIS 119 Ca -0.02 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.07 1v5m h HIS 119 Cb 0.75 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.70 1v5m h HIS 119 CO -0.31 0.01 -0.17 0.66 -1.30 0.00 0.00 177.93 176.81 1v5m h SER 120 N 0.01 0.62 0.77 3.26 4.64 -0.98 -2.82 113.55 119.05 1v5m h SER 120 Ca 0.08 -0.43 -0.04 0.00 -0.47 0.00 0.00 61.79 60.93 1v5m h SER 120 Cb 0.31 -0.17 0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1v5m h SER 120 CO -0.00 0.92 -0.37 -0.50 -0.87 0.00 0.00 176.83 176.00 1v5m h TRP 121 N 0.32 -0.96 -0.89 4.77 4.06 -0.06 -0.57 115.95 122.62 1v5m h TRP 121 Ca 0.05 -0.02 0.24 0.00 2.06 0.00 0.00 58.89 61.22 1v5m h TRP 121 Cb 0.70 0.32 -0.14 0.00 -1.00 0.00 0.00 29.16 29.04 1v5m h TRP 121 CO 0.07 -0.58 0.27 0.28 -3.56 0.00 0.00 178.44 174.91 1v5m h VAL 122 N -1.16 0.31 -0.30 1.49 2.07 -1.50 0.23 116.25 117.39 1v5m h VAL 122 Ca -0.11 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.27 1v5m h VAL 122 Cb 0.81 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1v5m h VAL 122 CO 0.17 0.04 -0.08 0.00 0.02 0.00 0.00 177.57 177.73 1v5m h ALA 123 N 1.79 0.42 -0.94 1.67 0.00 -1.38 0.28 119.26 121.11 1v5m h ALA 123 Ca 0.57 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 55.22 1v5m h ALA 123 Cb 1.16 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1v5m h ALA 123 CO -0.65 0.24 0.61 -0.44 0.00 0.00 0.00 179.25 179.01 1v5m h ASP 124 N 0.35 1.04 0.19 0.00 3.32 0.99 0.43 116.42 122.75 1v5m h ASP 124 Ca 0.08 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1v5m h ASP 124 Cb 0.56 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1v5m h ASP 124 CO 0.03 0.73 -0.09 0.40 -1.72 0.00 0.00 179.24 178.59 1v5m h ILE 125 N 1.22 0.00 -0.90 0.35 2.04 -0.72 -3.04 117.51 116.45 1v5m h ILE 125 Ca 0.36 -0.46 0.18 0.00 1.00 0.00 0.00 64.86 65.94 1v5m h ILE 125 Cb -0.06 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 35.95 1v5m h ILE 125 CO -0.10 0.00 0.58 1.56 0.00 0.00 0.00 178.15 180.19 1v5m h GLN 126 N -0.72 0.51 0.00 2.37 4.20 -0.96 0.48 115.11 120.99 1v5m h GLN 126 Ca -0.03 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1v5m h GLN 126 Cb 0.20 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1v5m h GLN 126 CO 0.04 0.34 0.00 0.78 -0.67 0.00 0.00 178.83 179.32 1v5m h GLY 127 N 0.53 0.00 0.00 3.46 0.00 -0.22 -3.05 103.07 103.79 1v5m h GLY 127 Ca 0.47 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.60 1v5m h GLY 127 CO -0.20 0.00 -1.42 0.00 0.00 0.00 0.00 176.54 174.92 1v5m h VAL 129 N -1.00 0.35 0.01 0.00 3.04 -1.26 0.63 116.25 118.02 1v5m h VAL 129 Ca -0.29 -0.04 -0.00 0.00 -1.01 0.00 0.00 66.70 65.36 1v5m h VAL 129 Cb 1.15 0.23 0.00 0.00 -2.01 0.00 0.00 31.29 30.66 1v5m h VAL 129 CO -0.18 0.02 -0.00 0.44 -1.01 0.00 0.00 177.57 176.84 1v5m h ASP 130 N 0.11 -0.01 0.00 3.17 3.32 -1.73 -3.47 116.42 117.82 1v5m h ASP 130 Ca 0.65 -0.77 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1v5m h ASP 130 Cb 2.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.84 1v5m h ASP 130 CO -0.14 0.78 0.00 -1.20 -1.72 0.00 0.00 179.24 176.96 1v5m n SER 131 N -4.71 0.00 0.00 6.45 7.64 0.16 -5.09 113.62 118.07 1v5m n SER 131 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1v5m n SER 131 Cb 0.38 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 1v5m n SER 131 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v5m n GLY 132 N 2.31 -0.62 3.69 0.23 0.00 -0.89 -4.90 105.19 105.01 1v5m n GLY 132 Ca 0.00 0.33 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 1v5m n GLY 132 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v5m s PRO 133 N 0.00 0.71 -0.59 1.61 0.04 -1.26 -4.33 135.00 131.19 1v5m s PRO 133 Ca 0.00 0.62 -0.26 0.00 0.04 0.00 0.00 61.00 61.40 1v5m s PRO 133 Cb 0.00 -1.76 -0.06 0.00 0.04 0.00 0.00 34.50 32.72 1v5m s PRO 133 CO 0.00 -2.56 2.20 -1.12 0.04 0.00 0.00 177.00 175.56 1v5m s SER 134 N -3.44 4.70 0.12 6.66 0.01 -1.26 -4.79 113.70 115.69 1v5m s SER 134 Ca 0.65 0.61 -0.34 0.00 1.31 0.00 0.00 55.95 58.19 1v5m s SER 134 Cb -0.18 -2.52 -0.12 0.00 0.21 0.00 0.00 66.02 63.40 1v5m s SER 134 CO 0.57 -2.81 1.56 0.28 0.41 0.00 0.00 173.24 173.25 1v5m h SER 135 N 16.85 -1.65 0.00 2.44 0.02 -1.90 -3.51 113.55 125.81 1v5m h SER 135 Ca -0.20 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1v5m h SER 135 Cb 1.19 0.64 0.00 0.00 0.14 0.00 0.00 62.40 64.37 1v5m h SER 135 CO 1.17 -0.50 0.00 0.61 -1.14 0.00 0.00 176.83 176.97