#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 -0.20 0.14 1.61 0.01 -1.26 -5.18 113.70 108.81 1v5m s SER 2 Ca 0.00 -0.65 0.05 0.00 1.31 0.00 0.00 55.95 56.67 1v5m s SER 2 Cb 0.00 0.61 -0.04 0.00 0.21 0.00 0.00 66.02 66.80 1v5m s SER 2 CO 0.00 -1.14 -0.12 -0.44 0.41 0.00 0.00 173.24 171.95 1v5m s SER 3 N -2.93 1.93 0.00 2.44 0.01 -1.26 -5.13 113.70 108.76 1v5m s SER 3 Ca 0.14 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.49 1v5m s SER 3 Cb -0.02 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.16 1v5m s SER 3 CO 0.03 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.06 1v5m n GLY 4 N 0.16 3.52 3.60 3.44 0.00 -1.26 -5.17 105.19 109.48 1v5m n GLY 4 Ca -0.13 -1.66 -0.10 0.00 0.00 0.00 0.00 46.02 44.13 1v5m n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v5m s SER 5 N 0.00 0.16 0.16 1.61 0.01 -1.26 -5.12 113.70 109.26 1v5m s SER 5 Ca 0.00 -1.08 0.01 0.00 1.31 0.00 0.00 55.95 56.19 1v5m s SER 5 Cb 0.00 0.65 -0.04 0.00 0.21 0.00 0.00 66.02 66.83 1v5m s SER 5 CO 0.00 -1.26 0.02 -0.55 0.41 0.00 0.00 173.24 171.86 1v5m s SER 6 N -3.08 0.94 0.00 2.44 0.15 -1.26 -5.03 113.70 107.87 1v5m s SER 6 Ca 0.23 -1.19 0.00 0.00 0.70 0.00 0.00 55.95 55.69 1v5m s SER 6 Cb -0.01 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 1v5m s SER 6 CO 0.12 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.55 1v5m n GLY 7 N -0.21 0.04 0.35 9.45 0.00 -1.26 -4.98 105.19 108.57 1v5m n GLY 7 Ca -0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.91 1v5m n GLY 7 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1v5m h ASN 8 N 0.00 -1.19 -2.19 1.61 7.08 -1.96 -3.44 115.58 115.49 1v5m h ASN 8 Ca 0.00 0.23 0.15 0.00 -3.08 0.00 0.00 56.30 53.60 1v5m h ASN 8 Cb 0.00 0.58 -0.29 0.00 -2.08 0.00 0.00 38.32 36.54 1v5m h ASN 8 CO 0.00 -0.31 0.48 -0.22 -2.08 0.00 0.00 177.43 175.30 1v5m s LEU 9 N -10.69 -0.37 -0.57 6.14 1.98 -1.26 -5.04 118.68 108.87 1v5m s LEU 9 Ca -0.14 0.58 0.05 0.00 -2.89 0.00 0.00 54.13 51.72 1v5m s LEU 9 Cb 0.15 1.52 0.19 0.00 0.66 0.00 0.00 46.19 48.71 1v5m s LEU 9 CO 0.69 -0.09 0.47 0.00 -1.89 0.00 0.00 176.35 175.53 1v5m n ALA 10 N 3.66 3.21 -1.42 5.97 0.00 -1.26 -5.07 120.51 125.60 1v5m n ALA 10 Ca -0.17 -3.96 -0.56 0.00 0.00 0.00 0.00 53.44 48.75 1v5m n ALA 10 Cb 0.57 -0.90 -0.08 0.00 0.00 0.00 0.00 19.45 19.04 1v5m n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v5m n ALA 11 N 2.10 -3.42 -2.61 0.00 0.00 -1.26 -4.86 120.51 110.46 1v5m n ALA 11 Ca 0.25 0.56 -0.43 0.00 0.00 0.00 0.00 53.44 53.82 1v5m n ALA 11 Cb 0.42 -1.66 -0.08 0.00 0.00 0.00 0.00 19.45 18.12 1v5m n ALA 11 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1v5m s LYS 12 N 0.08 3.06 0.03 0.00 0.00 -1.26 -5.04 119.74 116.60 1v5m s LYS 12 Ca 0.86 -0.94 0.01 0.00 0.00 0.00 0.00 55.97 55.90 1v5m s LYS 12 Cb -1.20 -4.03 -0.02 0.00 0.00 0.00 0.00 37.83 32.58 1v5m s LYS 12 CO 0.54 -0.95 -0.05 0.54 0.00 0.00 0.00 175.35 175.44 1v5m s VAL 13 N 2.08 0.27 -0.42 1.79 0.11 -1.26 -5.09 120.40 117.88 1v5m s VAL 13 Ca 0.10 -0.93 -0.28 0.00 -2.93 0.00 0.00 61.98 57.94 1v5m s VAL 13 Cb -0.19 -0.38 -0.08 0.00 -1.53 0.00 0.00 36.38 34.20 1v5m s VAL 13 CO 0.11 -0.43 2.35 1.21 -3.33 0.00 0.00 175.10 175.02 1v5m n GLU 14 N 1.62 1.27 -4.44 1.54 2.13 -1.26 -4.93 120.64 116.57 1v5m n GLU 14 Ca -0.23 0.19 -0.22 0.00 0.66 0.00 0.00 57.16 57.56 1v5m n GLU 14 Cb 0.55 -3.17 -0.10 0.00 0.27 0.00 0.00 31.44 28.98 1v5m n GLU 14 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1v5m s LEU 15 N 10.36 2.53 0.61 4.31 1.43 -1.26 -5.13 118.68 131.54 1v5m s LEU 15 Ca 1.02 -1.16 -0.19 0.00 -1.03 0.00 0.00 54.13 52.77 1v5m s LEU 15 Cb -0.36 -0.72 -0.03 0.00 0.03 0.00 0.00 46.19 45.12 1v5m s LEU 15 CO 0.33 -0.28 1.28 0.54 0.23 0.00 0.00 176.35 178.44 1v5m s VAL 16 N -2.92 2.22 0.20 -1.59 0.11 -1.26 -4.90 120.40 112.26 1v5m s VAL 16 Ca 0.29 0.15 -0.23 0.00 -2.93 0.00 0.00 61.98 59.25 1v5m s VAL 16 Cb 0.03 -3.06 0.10 0.00 -1.53 0.00 0.00 36.38 31.91 1v5m s VAL 16 CO 0.12 -0.02 1.55 0.44 -3.33 0.00 0.00 175.10 173.86 1v5m h ASP 17 N 0.85 -1.70 -2.09 3.54 3.32 -2.00 -3.36 116.42 114.98 1v5m h ASP 17 Ca -0.51 0.31 -0.58 0.00 0.02 0.00 0.00 57.03 56.27 1v5m h ASP 17 Cb 1.32 0.82 0.00 0.00 0.22 0.00 0.00 39.33 41.69 1v5m h ASP 17 CO 0.55 -0.28 1.44 -0.63 -1.72 0.00 0.00 179.24 178.60 1v5m s ILE 18 N -5.77 3.03 0.04 0.35 1.01 -1.26 -4.28 121.20 114.30 1v5m s ILE 18 Ca -0.13 0.03 -0.25 0.00 0.00 0.00 0.00 60.65 60.29 1v5m s ILE 18 Cb 0.16 -3.03 -0.17 0.00 0.01 0.00 0.00 42.46 39.43 1v5m s ILE 18 CO 0.67 -0.02 1.47 1.56 0.00 0.00 0.00 174.94 178.63 1v5m h GLN 19 N 14.17 -0.20 -1.48 2.79 1.08 -1.65 -3.48 115.11 126.34 1v5m h GLN 19 Ca -0.42 0.01 0.15 0.00 -1.45 0.00 0.00 58.65 56.94 1v5m h GLN 19 Cb 1.24 0.04 -0.23 0.00 -0.05 0.00 0.00 27.48 28.48 1v5m h GLN 19 CO 0.96 0.04 0.69 0.50 -0.95 0.00 0.00 178.83 180.07 1v5m s ARG 20 N -5.28 0.43 0.00 1.46 3.52 -1.26 -5.06 118.95 112.77 1v5m s ARG 20 Ca -0.15 0.03 -0.10 0.00 -0.13 0.00 0.00 55.73 55.38 1v5m s ARG 20 Cb 0.04 0.20 0.01 0.00 -1.56 0.00 0.00 34.95 33.63 1v5m s ARG 20 CO 0.63 -0.15 0.19 -2.00 -0.81 0.00 0.00 175.30 173.16 1v5m s GLU 21 N -1.49 0.56 0.17 5.12 2.12 -1.26 -2.44 118.70 121.48 1v5m s GLU 21 Ca 0.03 -0.37 -0.23 0.00 0.36 0.00 0.00 54.97 54.76 1v5m s GLU 21 Cb -0.01 0.24 0.08 0.00 0.26 0.00 0.00 34.13 34.70 1v5m s GLU 21 CO -0.03 -0.15 1.03 0.20 -0.54 0.00 0.00 175.26 175.78 1v5m s GLY 22 N -1.46 0.01 -0.33 -1.50 0.00 -0.80 -5.03 107.32 98.22 1v5m s GLY 22 Ca -0.13 -0.19 -0.04 0.00 0.00 0.00 0.00 44.72 44.36 1v5m s GLY 22 CO 0.02 1.80 0.06 0.00 0.00 0.00 0.00 173.10 174.98 1v5m s ALA 23 N -2.43 2.94 0.28 3.20 0.00 -1.26 -0.86 121.76 123.64 1v5m s ALA 23 Ca 0.19 -1.83 0.02 0.00 0.00 0.00 0.00 51.96 50.35 1v5m s ALA 23 Cb -0.02 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.93 1v5m s ALA 23 CO 0.04 -1.35 0.14 -0.48 0.00 0.00 0.00 175.76 174.11 1v5m s LEU 24 N 1.31 1.62 -0.12 0.00 2.34 -0.99 -4.81 118.68 118.03 1v5m s LEU 24 Ca -0.02 -1.50 -0.15 0.00 0.06 0.00 0.00 54.13 52.52 1v5m s LEU 24 Cb -0.20 0.16 -0.05 0.00 -0.56 0.00 0.00 46.19 45.55 1v5m s LEU 24 CO 0.00 -0.84 0.35 -0.13 -1.06 0.00 0.00 176.35 174.68 1v5m s ARG 25 N -3.90 4.20 0.17 1.48 0.52 -1.10 -2.69 118.95 117.63 1v5m s ARG 25 Ca 0.36 0.23 0.10 0.00 -0.52 0.00 0.00 55.73 55.90 1v5m s ARG 25 Cb 0.06 -3.39 -0.04 0.00 0.52 0.00 0.00 34.95 32.10 1v5m s ARG 25 CO 0.16 0.30 -0.21 -0.59 0.02 0.00 0.00 175.30 174.98 1v5m s PHE 26 N 0.23 2.02 0.17 -0.53 -0.71 -1.03 -0.03 117.98 118.10 1v5m s PHE 26 Ca 0.20 -0.42 -0.15 0.00 -1.04 0.00 0.00 56.93 55.53 1v5m s PHE 26 Cb -0.14 -1.01 0.02 0.00 -1.21 0.00 0.00 43.02 40.68 1v5m s PHE 26 CO 0.07 0.40 0.42 0.00 -1.34 0.00 0.00 175.22 174.77 1v5m s MET 27 N -2.71 1.23 -0.12 1.99 0.23 -0.81 -2.68 119.30 116.43 1v5m s MET 27 Ca 0.17 -0.91 0.01 0.00 -1.03 0.00 0.00 55.69 53.93 1v5m s MET 27 Cb -0.07 0.46 0.02 0.00 -1.53 0.00 0.00 34.83 33.72 1v5m s MET 27 CO 0.08 -0.49 -0.13 0.08 -2.03 0.00 0.00 175.02 172.53 1v5m s VAL 28 N -3.88 1.41 -0.53 5.16 1.01 -1.26 -1.15 120.40 121.16 1v5m s VAL 28 Ca 0.10 -0.56 -0.27 0.00 0.00 0.00 0.00 61.98 61.25 1v5m s VAL 28 Cb 0.01 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 1v5m s VAL 28 CO -0.05 0.43 1.92 0.00 0.00 0.00 0.00 175.10 177.40 1v5m s ALA 29 N 1.29 2.25 -0.02 5.51 0.00 -1.13 -4.93 121.76 124.73 1v5m s ALA 29 Ca -0.01 -0.36 -0.15 0.00 0.00 0.00 0.00 51.96 51.44 1v5m s ALA 29 Cb -0.14 -4.25 0.03 0.00 0.00 0.00 0.00 23.12 18.76 1v5m s ALA 29 CO -0.06 -3.69 0.33 0.16 0.00 0.00 0.00 175.76 172.50 1v5m s ASP 30 N 8.20 -0.22 -0.28 0.00 -4.77 -1.26 -4.78 116.67 113.57 1v5m s ASP 30 Ca 0.74 0.15 -0.01 0.00 -3.30 0.00 0.00 52.55 50.13 1v5m s ASP 30 Cb -0.15 0.34 0.09 0.00 -1.09 0.00 0.00 42.92 42.11 1v5m s ASP 30 CO 0.24 -0.44 0.07 -1.81 0.70 0.00 0.00 175.17 173.94 1v5m s ASP 31 N -1.24 3.73 0.12 2.11 1.01 -1.26 -5.12 116.67 116.01 1v5m s ASP 31 Ca -0.13 -1.40 0.04 0.00 0.71 0.00 0.00 52.55 51.78 1v5m s ASP 31 Cb -0.05 -0.79 -0.04 0.00 1.01 0.00 0.00 42.92 43.05 1v5m s ASP 31 CO 0.04 -0.38 -0.10 0.00 0.21 0.00 0.00 175.17 174.94 1v5m s ALA 32 N 1.69 1.25 -1.04 5.23 0.00 -1.26 -5.07 121.76 122.56 1v5m s ALA 32 Ca 0.06 -1.31 -0.23 0.00 0.00 0.00 0.00 51.96 50.48 1v5m s ALA 32 Cb -0.17 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 1v5m s ALA 32 CO -0.21 -0.06 1.84 0.00 0.00 0.00 0.00 175.76 177.33 1v5m s ALA 33 N -2.81 2.04 -0.04 0.00 0.00 -1.26 -4.58 121.76 115.10 1v5m s ALA 33 Ca 0.10 -1.96 -0.07 0.00 0.00 0.00 0.00 51.96 50.03 1v5m s ALA 33 Cb -0.01 -4.60 -0.03 0.00 0.00 0.00 0.00 23.12 18.49 1v5m s ALA 33 CO 0.00 -4.58 -0.15 -1.13 0.00 0.00 0.00 175.76 169.90 1v5m n SER 34 N 12.68 1.33 0.00 0.00 3.41 -1.26 -5.15 113.62 124.63 1v5m n SER 34 Ca 0.41 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 1v5m n SER 34 Cb 0.47 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1v5m n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1v5m n GLY 35 N 2.53 -1.29 3.58 5.00 0.00 -1.26 -5.17 105.19 108.58 1v5m n GLY 35 Ca -0.10 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.95 -1.43 0.00 1.61 0.04 -1.26 -5.09 135.00 127.92 1v5m s PRO 36 Ca 0.00 -0.14 0.00 0.00 0.04 0.00 0.00 61.00 60.90 1v5m s PRO 36 Cb 0.00 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.96 1v5m s PRO 36 CO 0.00 -3.83 0.00 0.41 0.04 0.00 0.00 177.00 173.62 1v5m n GLY 37 N -0.93 3.00 0.00 0.56 0.00 -1.26 -5.06 105.19 101.51 1v5m n GLY 37 Ca 0.14 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 3.40 3.69 3.93 -0.02 0.00 -1.26 -5.11 105.19 109.81 1v5m n GLY 38 Ca 0.00 -0.67 -0.24 0.00 0.00 0.00 0.00 46.02 45.12 1v5m n GLY 38 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1v5m s THR 39 N 0.00 1.95 0.51 2.61 -4.23 -1.26 -5.10 115.64 110.12 1v5m s THR 39 Ca 0.00 -1.35 -0.21 0.00 -1.18 0.00 0.00 61.69 58.95 1v5m s THR 39 Cb 0.00 -2.31 -0.06 0.00 1.34 0.00 0.00 72.50 71.47 1v5m s THR 39 CO 0.00 0.00 1.14 0.00 -0.54 0.00 0.00 174.62 175.22 1v5m s ALA 40 N -2.69 2.81 0.26 3.99 0.00 -1.26 -4.94 121.76 119.93 1v5m s ALA 40 Ca 0.43 0.87 0.09 0.00 0.00 0.00 0.00 51.96 53.35 1v5m s ALA 40 Cb -0.03 -3.37 0.33 0.00 0.00 0.00 0.00 23.12 20.05 1v5m s ALA 40 CO 0.26 -0.73 1.60 1.96 0.00 0.00 0.00 175.76 178.86 1v5m h GLN 41 N 1.54 0.07 -5.01 0.00 4.20 -1.99 -3.46 115.11 110.47 1v5m h GLN 41 Ca -0.50 -0.05 -0.55 0.00 0.06 0.00 0.00 58.65 57.61 1v5m h GLN 41 Cb 1.26 0.01 0.10 0.00 0.30 0.00 0.00 27.48 29.14 1v5m h GLN 41 CO 0.58 0.66 -0.50 0.91 -0.67 0.00 0.00 178.83 179.81 1v5m n TRP 42 N -3.83 -0.64 -4.21 2.96 7.02 -1.26 -4.91 117.44 112.56 1v5m n TRP 42 Ca -0.02 0.76 -0.19 0.00 -1.02 0.00 0.00 57.50 57.03 1v5m n TRP 42 Cb 0.61 -1.61 -0.16 0.00 -2.42 0.00 0.00 31.31 27.74 1v5m n TRP 42 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1v5m s GLN 43 N -0.83 0.76 0.15 -0.99 -0.21 -1.09 -4.97 119.66 112.47 1v5m s GLN 43 Ca 0.53 -0.16 -0.31 0.00 0.02 0.00 0.00 55.36 55.43 1v5m s GLN 43 Cb -0.73 -0.75 -0.10 0.00 1.00 0.00 0.00 33.01 32.42 1v5m s GLN 43 CO 0.48 0.00 1.72 0.15 -2.12 0.00 0.00 175.29 175.52 1v5m s LYS 44 N 0.53 4.16 0.35 2.91 1.02 -1.26 -2.46 119.74 124.99 1v5m s LYS 44 Ca -0.07 2.52 -0.16 0.00 0.02 0.00 0.00 55.97 58.28 1v5m s LYS 44 Cb -0.11 -3.35 0.04 0.00 -0.52 0.00 0.00 37.83 33.90 1v5m s LYS 44 CO 0.00 -0.75 0.74 0.00 -0.92 0.00 0.00 175.35 174.42 1v5m s ARG 46 N -2.80 1.98 -0.34 0.00 3.52 -0.40 -2.35 118.95 118.57 1v5m s ARG 46 Ca 0.16 -0.57 -0.12 0.00 -0.13 0.00 0.00 55.73 55.07 1v5m s ARG 46 Cb -0.05 -1.62 -0.01 0.00 -1.56 0.00 0.00 34.95 31.71 1v5m s ARG 46 CO 0.11 0.13 0.22 -1.17 -0.81 0.00 0.00 175.30 173.77 1v5m s LEU 47 N 0.39 4.46 -0.20 -0.88 2.96 -0.04 -1.72 118.68 123.66 1v5m s LEU 47 Ca -0.12 -0.55 -0.01 0.00 -0.22 0.00 0.00 54.13 53.24 1v5m s LEU 47 Cb -0.15 -2.09 0.01 0.00 0.50 0.00 0.00 46.19 44.47 1v5m s LEU 47 CO 0.04 -0.25 -0.14 -0.22 -1.32 0.00 0.00 176.35 174.45 1v5m s LEU 48 N 1.67 2.46 -0.30 -0.68 2.96 -1.01 -1.90 118.68 121.88 1v5m s LEU 48 Ca 0.05 -0.61 -0.09 0.00 -0.22 0.00 0.00 54.13 53.26 1v5m s LEU 48 Cb -0.18 -1.57 -0.01 0.00 0.50 0.00 0.00 46.19 44.93 1v5m s LEU 48 CO 0.09 -0.02 0.13 -0.22 -1.32 0.00 0.00 176.35 175.01 1v5m s LEU 49 N 1.34 3.97 0.01 -0.68 0.20 -1.02 -2.12 118.68 120.39 1v5m s LEU 49 Ca 0.05 -0.46 -0.00 0.00 0.69 0.00 0.00 54.13 54.40 1v5m s LEU 49 Cb -0.14 -1.98 -0.01 0.00 -0.43 0.00 0.00 46.19 43.62 1v5m s LEU 49 CO -0.09 -0.16 -0.02 0.00 -0.29 0.00 0.00 176.35 175.79 1v5m s ARG 50 N 1.61 0.23 0.47 1.98 1.70 -1.21 -2.52 118.95 121.21 1v5m s ARG 50 Ca 0.05 -0.44 -0.23 0.00 -0.47 0.00 0.00 55.73 54.64 1v5m s ARG 50 Cb -0.17 0.08 -0.07 0.00 -0.57 0.00 0.00 34.95 34.23 1v5m s ARG 50 CO 0.06 -0.04 1.20 -0.98 -1.08 0.00 0.00 175.30 174.46 1v5m s ARG 51 N -1.06 3.66 -0.21 3.89 1.70 -1.26 -1.72 118.95 123.94 1v5m s ARG 51 Ca -0.12 1.87 -0.12 0.00 -0.47 0.00 0.00 55.73 56.89 1v5m s ARG 51 Cb -0.07 -2.39 -0.05 0.00 -0.57 0.00 0.00 34.95 31.87 1v5m s ARG 51 CO -0.01 -0.66 0.21 0.00 -1.08 0.00 0.00 175.30 173.76 1v5m s ALA 52 N -1.49 3.62 -0.13 7.88 0.00 0.77 -4.80 121.76 127.61 1v5m s ALA 52 Ca 0.65 -0.69 -0.06 0.00 0.00 0.00 0.00 51.96 51.86 1v5m s ALA 52 Cb -0.31 -2.33 -0.04 0.00 0.00 0.00 0.00 23.12 20.44 1v5m s ALA 52 CO 0.37 -0.04 0.08 0.14 0.00 0.00 0.00 175.76 176.31 1v5m s VAL 53 N 0.76 4.98 -1.37 0.00 -7.23 -1.26 -4.15 120.40 112.13 1v5m s VAL 53 Ca 0.11 0.02 -0.06 0.00 -1.81 0.00 0.00 61.98 60.24 1v5m s VAL 53 Cb -0.13 -3.17 0.03 0.00 0.56 0.00 0.00 36.38 33.67 1v5m s VAL 53 CO 0.03 0.57 0.94 0.00 -0.31 0.00 0.00 175.10 176.33 1v5m n ALA 54 N 2.46 -1.65 -0.85 1.32 0.00 -1.26 -4.71 120.51 115.81 1v5m n ALA 54 Ca -0.19 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1v5m n ALA 54 Cb 0.54 -3.54 0.00 0.00 0.00 0.00 0.00 19.45 16.45 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 -1.63 -2.12 3.36 0.00 0.00 -1.26 -5.17 105.19 98.37 1v5m n GLY 55 Ca -0.13 0.66 -0.21 0.00 0.00 0.00 0.00 46.02 46.34 1v5m n GLY 55 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1v5m s GLU 56 N -0.15 1.79 0.03 1.61 -1.05 -1.26 -5.09 118.70 114.58 1v5m s GLU 56 Ca 0.00 -2.05 -0.28 0.00 -0.15 0.00 0.00 54.97 52.49 1v5m s GLU 56 Cb 0.00 0.00 -0.15 0.00 -0.44 0.00 0.00 34.13 33.54 1v5m s GLU 56 CO 0.00 -0.58 1.26 0.00 0.95 0.00 0.00 175.26 176.89 1v5m h ARG 57 N 2.04 -0.96 -4.93 -4.83 2.47 -1.97 -3.25 114.38 102.96 1v5m h ARG 57 Ca -0.29 0.07 -0.50 0.00 -1.26 0.00 0.00 59.98 58.00 1v5m h ARG 57 Cb 1.25 0.22 -0.13 0.00 -1.65 0.00 0.00 29.97 29.65 1v5m h ARG 57 CO 0.44 -0.64 -0.49 -0.06 0.56 0.00 0.00 179.97 179.78 1v5m s PHE 58 N -4.94 1.78 -0.26 3.04 0.40 -1.26 -0.16 117.98 116.57 1v5m s PHE 58 Ca -0.15 -1.62 -0.12 0.00 -0.60 0.00 0.00 56.93 54.45 1v5m s PHE 58 Cb 0.01 -0.80 0.09 0.00 0.51 0.00 0.00 43.02 42.84 1v5m s PHE 58 CO 0.44 -0.78 0.61 0.50 0.70 0.00 0.00 175.22 176.68 1v5m s ARG 59 N -3.47 0.59 -0.23 0.44 3.52 -0.70 -2.05 118.95 117.05 1v5m s ARG 59 Ca 0.38 1.21 -0.16 0.00 -0.13 0.00 0.00 55.73 57.02 1v5m s ARG 59 Cb 0.02 0.35 -0.04 0.00 -1.56 0.00 0.00 34.95 33.72 1v5m s ARG 59 CO 0.26 -0.18 0.43 -0.51 -0.81 0.00 0.00 175.30 174.49 1v5m s LEU 60 N 2.06 4.11 -0.14 -0.88 2.01 0.28 -3.36 118.68 122.76 1v5m s LEU 60 Ca -0.08 0.49 -0.05 0.00 0.01 0.00 0.00 54.13 54.49 1v5m s LEU 60 Cb -0.08 -2.55 -0.04 0.00 0.01 0.00 0.00 46.19 43.53 1v5m s LEU 60 CO -0.18 -0.15 0.05 -1.61 1.01 0.00 0.00 176.35 175.47 1v5m s GLU 61 N 1.71 3.59 -0.39 1.70 2.02 -0.90 -0.28 118.70 126.15 1v5m s GLU 61 Ca 0.19 -0.34 0.00 0.00 0.02 0.00 0.00 54.97 54.84 1v5m s GLU 61 Cb -0.15 -3.07 0.11 0.00 0.10 0.00 0.00 34.13 31.12 1v5m s GLU 61 CO 0.09 0.47 0.15 -0.06 0.02 0.00 0.00 175.26 175.93 1v5m s PHE 62 N -0.20 3.65 -0.37 1.61 0.40 -1.25 -2.41 117.98 119.42 1v5m s PHE 62 Ca 0.07 -2.68 -0.27 0.00 -0.60 0.00 0.00 56.93 53.44 1v5m s PHE 62 Cb -0.12 -3.10 0.02 0.00 0.51 0.00 0.00 43.02 40.33 1v5m s PHE 62 CO 0.02 -0.96 1.01 -0.06 0.70 0.00 0.00 175.22 175.92 1v5m s PHE 63 N 0.99 3.07 -0.25 0.36 0.40 -0.70 0.90 117.98 122.74 1v5m s PHE 63 Ca 0.10 0.91 -0.03 0.00 -0.60 0.00 0.00 56.93 57.31 1v5m s PHE 63 Cb -0.21 -3.77 0.08 0.00 0.51 0.00 0.00 43.02 39.63 1v5m s PHE 63 CO -0.06 -0.86 0.09 0.08 0.70 0.00 0.00 175.22 175.17 1v5m s VAL 64 N 3.67 0.31 1.08 -0.44 1.01 -1.26 -1.27 120.40 123.50 1v5m s VAL 64 Ca 0.42 -0.76 -0.15 0.00 0.00 0.00 0.00 61.98 61.50 1v5m s VAL 64 Cb -0.11 -1.09 0.23 0.00 0.00 0.00 0.00 36.38 35.40 1v5m s VAL 64 CO 0.19 -0.50 1.10 -2.16 0.00 0.00 0.00 175.10 173.73 1v5m s PRO 65 N 1.93 -0.21 0.35 2.72 0.04 -1.26 -4.68 135.00 133.89 1v5m s PRO 65 Ca 0.05 0.29 0.14 0.00 0.04 0.00 0.00 61.00 61.53 1v5m s PRO 65 Cb -0.17 -1.68 0.66 0.00 0.04 0.00 0.00 34.50 33.35 1v5m s PRO 65 CO -0.22 -3.11 1.76 -1.00 0.04 0.00 0.00 177.00 174.47 1v5m h PRO 66 N -2.16 0.00 -0.01 0.56 0.13 -1.56 -2.57 132.00 126.39 1v5m h PRO 66 Ca -0.52 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1v5m h PRO 66 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1v5m h PRO 66 CO 0.50 0.43 -0.04 1.17 -0.23 0.00 0.00 178.00 179.83 1v5m n LYS 67 N -3.85 1.36 0.13 0.86 4.81 -1.26 -3.93 118.16 116.28 1v5m n LYS 67 Ca -0.01 -0.67 0.09 0.00 -0.87 0.00 0.00 58.31 56.84 1v5m n LYS 67 Cb 0.48 -1.49 0.46 0.00 0.02 0.00 0.00 35.03 34.50 1v5m n LYS 67 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1v5m n ALA 68 N -0.23 1.03 -1.91 3.14 0.00 -0.97 -4.80 120.51 116.77 1v5m n ALA 68 Ca 0.19 0.16 -0.17 0.00 0.00 0.00 0.00 53.44 53.62 1v5m n ALA 68 Cb 0.30 -1.24 -0.04 0.00 0.00 0.00 0.00 19.45 18.47 1v5m n ALA 68 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1v5m n SER 69 N -2.09 -4.99 -3.64 0.00 7.64 -1.25 -4.95 113.62 104.33 1v5m n SER 69 Ca -0.01 0.20 -0.07 0.00 1.01 0.00 0.00 58.87 60.00 1v5m n SER 69 Cb 0.03 -4.03 -0.07 0.00 -1.01 0.00 0.00 64.21 59.13 1v5m n SER 69 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1v5m s ARG 70 N -4.14 0.42 0.05 1.43 0.52 -1.26 -5.14 118.95 110.82 1v5m s ARG 70 Ca 0.00 0.54 -0.31 0.00 -0.52 0.00 0.00 55.73 55.44 1v5m s ARG 70 Cb 0.00 0.18 -0.07 0.00 0.52 0.00 0.00 34.95 35.58 1v5m s ARG 70 CO 0.00 -0.06 1.41 -1.25 0.02 0.00 0.00 175.30 175.42 1v5m s PRO 71 N 0.44 4.30 -0.05 3.54 0.04 -1.26 -4.15 135.00 137.85 1v5m s PRO 71 Ca 0.01 2.03 -0.14 0.00 0.04 0.00 0.00 61.00 62.94 1v5m s PRO 71 Cb -0.05 -3.45 -0.31 0.00 0.04 0.00 0.00 34.50 30.73 1v5m s PRO 71 CO -0.09 -0.53 0.72 -0.22 0.04 0.00 0.00 177.00 176.92 1v5m h LYS 72 N 7.47 0.38 -2.21 4.56 3.64 0.24 -3.40 116.57 127.25 1v5m h LYS 72 Ca -0.40 -0.65 -0.57 0.00 -1.27 0.00 0.00 60.65 57.75 1v5m h LYS 72 Cb 1.19 0.24 -0.42 0.00 -0.41 0.00 0.00 32.23 32.84 1v5m h LYS 72 CO 0.89 1.31 -0.74 0.28 -2.27 0.00 0.00 179.45 178.92 1v5m n VAL 73 N -3.74 2.22 -1.98 2.00 0.31 -0.90 -5.01 118.33 111.23 1v5m n VAL 73 Ca -0.23 -5.27 -0.42 0.00 -0.01 0.00 0.00 64.34 58.42 1v5m n VAL 73 Cb 1.02 -1.40 -0.03 0.00 -0.91 0.00 0.00 33.84 32.53 1v5m n VAL 73 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1v5m s SER 74 N -2.98 5.67 -0.18 4.52 0.01 -1.26 -3.80 113.70 115.67 1v5m s SER 74 Ca 0.45 1.08 -0.05 0.00 1.31 0.00 0.00 55.95 58.74 1v5m s SER 74 Cb 0.26 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.93 1v5m s SER 74 CO -0.10 -1.92 -0.00 -0.63 0.41 0.00 0.00 173.24 170.99 1v5m s ILE 75 N 7.68 4.13 0.34 1.44 1.01 0.61 -4.97 121.20 131.45 1v5m s ILE 75 Ca 0.78 -0.26 -0.28 0.00 0.00 0.00 0.00 60.65 60.89 1v5m s ILE 75 Cb -0.20 -2.84 -0.09 0.00 0.01 0.00 0.00 42.46 39.33 1v5m s ILE 75 CO 0.30 0.46 1.21 -2.16 0.00 0.00 0.00 174.94 174.76 1v5m s PRO 76 N 0.56 4.31 0.16 2.79 0.04 -1.26 -0.55 135.00 141.04 1v5m s PRO 76 Ca -0.01 2.00 -0.15 0.00 0.04 0.00 0.00 61.00 62.87 1v5m s PRO 76 Cb -0.14 -2.96 0.10 0.00 0.04 0.00 0.00 34.50 31.54 1v5m s PRO 76 CO 0.02 -0.15 1.73 1.25 0.04 0.00 0.00 177.00 179.89 1v5m h LEU 77 N 3.21 0.04 -1.73 -3.56 7.12 -1.74 -1.07 115.31 117.58 1v5m h LEU 77 Ca -0.48 0.06 0.42 0.00 0.13 0.00 0.00 57.88 58.01 1v5m h LEU 77 Cb 1.23 0.08 -0.09 0.00 -0.53 0.00 0.00 40.66 41.35 1v5m h LEU 77 CO 0.65 0.06 0.98 0.77 -0.13 0.00 0.00 178.44 180.76 1v5m h SER 78 N 0.22 0.13 -0.54 1.25 4.64 -1.93 0.65 113.55 117.98 1v5m h SER 78 Ca 0.19 0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.54 1v5m h SER 78 Cb 0.21 0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 1v5m h SER 78 CO -0.23 -0.04 0.27 0.00 -0.87 0.00 0.00 176.83 175.96 1v5m h ALA 79 N 1.39 0.69 -2.61 5.18 0.00 -1.57 -3.43 119.26 118.91 1v5m h ALA 79 Ca 0.74 -0.12 -0.55 0.00 0.00 0.00 0.00 54.91 54.99 1v5m h ALA 79 Cb 2.65 -0.21 0.09 0.00 0.00 0.00 0.00 17.79 20.31 1v5m h ALA 79 CO -0.17 0.24 0.77 -0.89 0.00 0.00 0.00 179.25 179.21 1v5m n ILE 80 N -4.59 1.04 0.00 0.00 2.08 0.23 0.23 119.36 118.35 1v5m n ILE 80 Ca 0.03 -0.26 0.00 0.00 0.56 0.00 0.00 62.75 63.08 1v5m n ILE 80 Cb 0.11 -1.78 0.00 0.00 -0.75 0.00 0.00 39.64 37.22 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 1.98 0.00 -3.69 1.39 -5.35 -0.70 -4.81 119.36 108.17 1v5m n ILE 81 Ca 0.09 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.44 1v5m n ILE 81 Cb 0.35 -0.29 -0.14 0.00 -1.74 0.00 0.00 39.64 37.82 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 -1.42 0.15 -0.41 6.28 2.12 -1.15 -5.07 118.70 119.20 1v5m s GLU 82 Ca 0.00 0.63 -0.04 0.00 0.36 0.00 0.00 54.97 55.92 1v5m s GLU 82 Cb 0.00 -0.10 0.11 0.00 0.26 0.00 0.00 34.13 34.39 1v5m s GLU 82 CO 0.00 -0.24 0.22 0.54 -0.54 0.00 0.00 175.26 175.24 1v5m s VAL 83 N 1.93 3.51 0.09 3.70 0.11 -1.26 -1.53 120.40 126.95 1v5m s VAL 83 Ca -0.03 -1.91 -0.31 0.00 -2.93 0.00 0.00 61.98 56.80 1v5m s VAL 83 Cb -0.11 -3.34 -0.08 0.00 -1.53 0.00 0.00 36.38 31.32 1v5m s VAL 83 CO -0.08 -0.65 1.48 -0.60 -3.33 0.00 0.00 175.10 171.92 1v5m s ARG 84 N 1.21 4.27 -0.47 1.54 3.52 -0.70 -4.86 118.95 123.46 1v5m s ARG 84 Ca 0.07 2.16 0.04 0.00 -0.13 0.00 0.00 55.73 57.86 1v5m s ARG 84 Cb -0.23 -3.37 0.43 0.00 -1.56 0.00 0.00 34.95 30.21 1v5m s ARG 84 CO -0.03 -0.56 1.38 0.25 -0.81 0.00 0.00 175.30 175.53 1v5m n THR 85 N 4.27 2.76 -3.53 4.11 -2.24 -1.26 -1.29 114.28 117.09 1v5m n THR 85 Ca 0.13 -4.33 -0.16 0.00 -2.27 0.00 0.00 64.05 57.42 1v5m n THR 85 Cb 0.41 -1.20 -0.06 0.00 -2.10 0.00 0.00 70.33 67.38 1v5m n THR 85 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1v5m s THR 86 N -5.04 0.01 0.21 4.28 -1.32 -1.26 -5.04 115.64 107.48 1v5m s THR 86 Ca 0.52 -0.07 0.10 0.00 -1.21 0.00 0.00 61.69 61.03 1v5m s THR 86 Cb 0.42 -0.97 -0.05 0.00 -1.51 0.00 0.00 72.50 70.40 1v5m s THR 86 CO -0.11 -0.04 -0.19 -0.04 -2.21 0.00 0.00 174.62 172.03 1v5m s MET 87 N -1.69 1.44 0.00 7.08 1.00 -1.26 -4.93 119.30 120.93 1v5m s MET 87 Ca -0.09 -1.56 0.00 0.00 0.00 0.00 0.00 55.69 54.04 1v5m s MET 87 Cb -0.01 -1.51 0.00 0.00 0.00 0.00 0.00 34.83 33.32 1v5m s MET 87 CO 0.05 0.29 0.00 -0.35 0.00 0.00 0.00 175.02 175.02 1v5m n PRO 88 N -0.07 0.46 -0.58 2.03 -0.04 -1.26 -4.79 135.00 130.74 1v5m n PRO 88 Ca -0.10 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.32 1v5m n PRO 88 Cb 0.58 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.99 1v5m n PRO 88 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1v5m n LEU 89 N 0.00 4.48 0.01 1.53 7.99 -1.26 -3.49 117.00 126.26 1v5m n LEU 89 Ca 0.00 -2.30 0.00 0.00 -0.01 0.00 0.00 56.01 53.70 1v5m n LEU 89 Cb 0.00 -1.04 0.00 0.00 -0.11 0.00 0.00 43.42 42.27 1v5m n LEU 89 CO 0.00 1.04 -0.33 -0.62 -1.51 0.00 0.00 177.39 175.97 1v5m n GLU 90 N 1.94 0.00 -1.82 3.23 -0.58 -1.26 -5.06 120.64 117.09 1v5m n GLU 90 Ca 0.13 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.46 1v5m n GLU 90 Cb 0.55 -0.36 -0.01 0.00 -0.57 0.00 0.00 31.44 31.04 1v5m n GLU 90 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1v5m s MET 91 N -2.00 4.14 0.00 3.49 1.75 -1.23 -4.85 119.30 120.60 1v5m s MET 91 Ca 0.00 2.54 0.01 0.00 -1.25 0.00 0.00 55.69 56.98 1v5m s MET 91 Cb 0.00 -3.02 0.05 0.00 2.84 0.00 0.00 34.83 34.71 1v5m s MET 91 CO 0.00 -0.56 0.54 -0.35 -0.65 0.00 0.00 175.02 173.99 1v5m n PRO 92 N 1.59 0.49 -2.83 4.11 -0.04 -1.26 -4.81 135.00 132.24 1v5m n PRO 92 Ca 0.05 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.41 1v5m n PRO 92 Cb 0.38 -1.03 0.05 0.00 -0.04 0.00 0.00 33.50 32.87 1v5m n PRO 92 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1v5m n GLU 93 N -0.53 -3.09 0.13 0.54 2.13 -1.26 -4.95 120.64 113.62 1v5m n GLU 93 Ca 0.01 0.58 0.10 0.00 0.66 0.00 0.00 57.16 58.51 1v5m n GLU 93 Cb 0.00 -4.62 0.04 0.00 0.27 0.00 0.00 31.44 27.14 1v5m n GLU 93 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1v5m h LYS 94 N -1.02 0.00 -4.73 5.31 1.57 -2.01 -3.48 116.57 112.21 1v5m h LYS 94 Ca -0.41 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 57.97 1v5m h LYS 94 Cb 1.22 0.00 0.06 0.00 0.08 0.00 0.00 32.23 33.59 1v5m h LYS 94 CO 0.32 0.06 -0.62 -3.47 -0.57 0.00 0.00 179.45 175.17 1v5m n ASP 95 N -2.86 -5.97 -1.83 0.86 2.03 -1.26 -4.31 116.55 103.22 1v5m n ASP 95 Ca 0.00 -0.33 -0.02 0.00 0.52 0.00 0.00 54.79 54.96 1v5m n ASP 95 Cb 0.58 -4.82 0.07 0.00 -0.72 0.00 0.00 41.12 36.23 1v5m n ASP 95 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1v5m n ASN 96 N -2.57 2.06 -3.84 1.67 6.94 -1.26 -4.09 115.26 114.17 1v5m n ASN 96 Ca -0.09 -2.71 -0.09 0.00 -0.02 0.00 0.00 54.58 51.66 1v5m n ASN 96 Cb 0.61 -0.41 -0.07 0.00 -2.36 0.00 0.00 39.78 37.55 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 -2.66 0.11 -0.17 5.53 -4.23 -1.26 -2.77 115.64 110.19 1v5m s THR 97 Ca 0.36 -1.11 -0.28 0.00 -1.18 0.00 0.00 61.69 59.48 1v5m s THR 97 Cb 0.37 -1.42 0.09 0.00 1.34 0.00 0.00 72.50 72.87 1v5m s THR 97 CO -0.07 -0.50 0.79 0.72 -0.54 0.00 0.00 174.62 175.02 1v5m s PHE 98 N -3.87 -0.63 -0.22 3.99 -0.12 -1.15 -4.72 117.98 111.25 1v5m s PHE 98 Ca 0.07 1.30 -0.10 0.00 -0.05 0.00 0.00 56.93 58.16 1v5m s PHE 98 Cb 0.04 0.37 -0.05 0.00 -0.63 0.00 0.00 43.02 42.75 1v5m s PHE 98 CO -0.09 -0.45 0.14 0.08 -0.05 0.00 0.00 175.22 174.85 1v5m s VAL 99 N -0.50 5.24 -0.51 -2.49 1.01 -0.41 -2.21 120.40 120.53 1v5m s VAL 99 Ca -0.04 0.14 -0.19 0.00 0.00 0.00 0.00 61.98 61.89 1v5m s VAL 99 Cb -0.02 -3.42 0.06 0.00 0.00 0.00 0.00 36.38 33.00 1v5m s VAL 99 CO 0.04 0.38 0.60 -0.76 0.00 0.00 0.00 175.10 175.35 1v5m s LEU 100 N 0.84 5.09 -0.64 3.92 1.43 -0.90 -1.71 118.68 126.71 1v5m s LEU 100 Ca 0.07 -1.01 -0.20 0.00 -1.03 0.00 0.00 54.13 51.97 1v5m s LEU 100 Cb -0.13 -2.40 0.10 0.00 0.03 0.00 0.00 46.19 43.79 1v5m s LEU 100 CO 0.03 -0.87 0.81 -0.75 0.23 0.00 0.00 176.35 175.79 1v5m s LYS 101 N 2.49 3.12 0.96 1.70 2.36 -0.58 -2.21 119.74 127.57 1v5m s LYS 101 Ca 0.13 -1.27 -0.15 0.00 -2.55 0.00 0.00 55.97 52.14 1v5m s LYS 101 Cb -0.20 -4.31 0.18 0.00 -1.05 0.00 0.00 37.83 32.44 1v5m s LYS 101 CO 0.11 -1.62 1.21 0.14 1.55 0.00 0.00 175.35 176.73 1v5m s VAL 102 N 2.96 1.93 0.15 4.02 -7.23 -0.97 -1.72 120.40 119.53 1v5m s VAL 102 Ca 0.16 0.00 -0.10 0.00 -1.81 0.00 0.00 61.98 60.23 1v5m s VAL 102 Cb -0.20 -2.84 -0.03 0.00 0.56 0.00 0.00 36.38 33.87 1v5m s VAL 102 CO 0.06 0.00 1.50 1.05 -0.31 0.00 0.00 175.10 177.40 1v5m h GLU 103 N -1.66 0.93 -0.08 4.82 -0.00 0.25 -2.86 114.58 115.98 1v5m h GLU 103 Ca -0.47 -0.47 0.02 0.00 -0.00 0.00 0.00 59.36 58.45 1v5m h GLU 103 Cb 1.29 0.01 -0.00 0.00 -0.00 0.00 0.00 28.75 30.04 1v5m h GLU 103 CO 0.49 1.12 0.07 -0.91 -0.00 0.00 0.00 179.01 179.79 1v5m h ASN 104 N 0.77 0.00 0.00 3.06 4.21 -1.94 -3.46 115.58 118.22 1v5m h ASN 104 Ca 0.07 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.58 1v5m h ASN 104 Cb 0.94 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.14 1v5m h ASN 104 CO 0.09 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.84 1v5m n GLY 105 N -1.41 0.59 3.00 2.83 0.00 -1.08 -5.13 105.19 103.99 1v5m n GLY 105 Ca -0.01 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.98 0.98 -0.20 4.61 0.00 -1.26 -4.96 121.76 119.95 1v5m s ALA 106 Ca 0.00 -0.33 -0.09 0.00 0.00 0.00 0.00 51.96 51.54 1v5m s ALA 106 Cb 0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 23.12 22.67 1v5m s ALA 106 CO 0.00 0.12 0.11 -1.21 0.00 0.00 0.00 175.76 174.78 1v5m s GLU 107 N 0.41 4.06 -0.35 0.00 2.02 -1.25 -2.30 118.70 121.29 1v5m s GLU 107 Ca -0.07 -0.29 0.04 0.00 0.02 0.00 0.00 54.97 54.67 1v5m s GLU 107 Cb -0.12 -3.36 0.10 0.00 0.10 0.00 0.00 34.13 30.85 1v5m s GLU 107 CO 0.01 0.22 0.07 0.71 0.02 0.00 0.00 175.26 176.29 1v5m s TYR 108 N 0.56 3.69 -0.59 1.61 1.51 -0.94 -2.85 117.35 120.35 1v5m s TYR 108 Ca 0.06 -3.00 -0.28 0.00 -1.01 0.00 0.00 57.07 52.84 1v5m s TYR 108 Cb -0.12 -2.90 0.03 0.00 -0.11 0.00 0.00 41.96 38.86 1v5m s TYR 108 CO 0.00 -0.93 1.19 0.42 -1.11 0.00 0.00 175.55 175.12 1v5m s ILE 109 N 0.83 4.01 -0.12 2.71 1.01 -0.30 -2.11 121.20 127.22 1v5m s ILE 109 Ca 0.11 0.85 -0.06 0.00 0.00 0.00 0.00 60.65 61.55 1v5m s ILE 109 Cb -0.19 -4.74 -0.04 0.00 0.01 0.00 0.00 42.46 37.50 1v5m s ILE 109 CO -0.08 -1.37 0.11 -0.76 0.00 0.00 0.00 174.94 172.84 1v5m s LEU 110 N 4.98 4.23 -0.32 2.97 1.02 -0.94 -1.92 118.68 128.70 1v5m s LEU 110 Ca 0.42 0.40 0.02 0.00 0.02 0.00 0.00 54.13 54.99 1v5m s LEU 110 Cb -0.08 -2.02 0.08 0.00 0.02 0.00 0.00 46.19 44.19 1v5m s LEU 110 CO 0.25 0.39 0.01 -0.70 0.02 0.00 0.00 176.35 176.32 1v5m s GLU 111 N -0.94 1.97 0.76 1.70 2.12 0.96 -2.94 118.70 122.32 1v5m s GLU 111 Ca 0.14 -1.59 -0.13 0.00 0.36 0.00 0.00 54.97 53.75 1v5m s GLU 111 Cb -0.12 -3.15 0.18 0.00 0.26 0.00 0.00 34.13 31.30 1v5m s GLU 111 CO 0.03 -0.78 0.85 0.25 -0.54 0.00 0.00 175.26 175.07 1v5m n THR 112 N 4.42 0.00 0.34 -1.70 -2.24 -1.11 -2.71 114.28 111.28 1v5m n THR 112 Ca -0.06 -0.52 -0.16 0.00 -2.27 0.00 0.00 64.05 61.04 1v5m n THR 112 Cb 0.42 -1.43 -0.08 0.00 -2.10 0.00 0.00 70.33 67.14 1v5m n THR 112 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1v5m h ILE 113 N -1.91 0.00 -4.65 2.28 5.03 -1.89 -3.47 117.51 112.91 1v5m h ILE 113 Ca -0.29 0.00 -0.33 0.00 -0.12 0.00 0.00 64.86 64.11 1v5m h ILE 113 Cb 0.84 0.00 -0.13 0.00 -3.03 0.00 0.00 36.82 34.50 1v5m h ILE 113 CO 0.20 0.00 -0.51 -0.62 -0.68 0.00 0.00 178.15 176.54 1v5m s ASP 114 N -3.74 0.85 0.56 1.72 2.15 -1.26 -5.02 116.67 111.92 1v5m s ASP 114 Ca -0.15 -1.53 0.29 0.00 0.43 0.00 0.00 52.55 51.58 1v5m s ASP 114 Cb 0.02 0.49 1.47 0.00 -0.30 0.00 0.00 42.92 44.60 1v5m s ASP 114 CO 0.48 -0.98 1.93 0.77 -0.17 0.00 0.00 175.17 177.20 1v5m h SER 115 N 2.36 0.00 0.31 -0.34 4.64 -1.75 -1.37 113.55 117.39 1v5m h SER 115 Ca -0.30 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.00 1v5m h SER 115 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1v5m h SER 115 CO 0.44 0.00 -0.15 -0.07 -0.87 0.00 0.00 176.83 176.18 1v5m h LEU 116 N 0.00 -0.35 -2.03 5.97 3.38 -1.93 -2.49 115.31 117.87 1v5m h LEU 116 Ca 0.28 0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.39 1v5m h LEU 116 Cb 1.25 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 1v5m h LEU 116 CO -0.00 -0.18 0.40 1.56 0.09 0.00 0.00 178.44 180.31 1v5m h GLN 117 N -0.55 0.00 0.70 1.13 1.08 -1.86 -2.36 115.11 113.25 1v5m h GLN 117 Ca -0.04 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.12 1v5m h GLN 117 Cb 0.31 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.75 1v5m h GLN 117 CO 0.07 0.00 -0.34 -0.22 -0.95 0.00 0.00 178.83 177.39 1v5m h LYS 118 N 0.00 -0.90 -0.97 1.46 3.11 -1.21 -2.21 116.57 115.85 1v5m h LYS 118 Ca 0.22 0.06 0.24 0.00 -2.81 0.00 0.00 60.65 58.36 1v5m h LYS 118 Cb 1.01 0.21 -0.07 0.00 -1.00 0.00 0.00 32.23 32.37 1v5m h LYS 118 CO -0.00 -0.60 0.65 1.12 -2.81 0.00 0.00 179.45 177.80 1v5m h HIS 119 N -1.10 0.48 -0.35 1.91 2.07 -0.96 0.58 115.15 117.78 1v5m h HIS 119 Ca -0.10 0.02 -0.03 0.00 -2.85 0.00 0.00 60.37 57.41 1v5m h HIS 119 Cb 0.72 -0.14 -0.01 0.00 2.57 0.00 0.00 27.41 30.54 1v5m h HIS 119 CO 0.03 0.09 0.09 0.77 -3.07 0.00 0.00 177.93 175.84 1v5m h SER 120 N 0.33 0.53 0.64 3.10 0.02 -1.34 -2.97 113.55 113.85 1v5m h SER 120 Ca 0.52 -0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 61.21 1v5m h SER 120 Cb 1.43 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 63.84 1v5m h SER 120 CO -0.19 0.61 -0.31 -0.50 -1.14 0.00 0.00 176.83 175.31 1v5m h TRP 121 N 0.42 -0.79 -1.19 3.45 4.06 -0.26 -2.09 115.95 119.54 1v5m h TRP 121 Ca 0.11 -0.02 0.39 0.00 2.06 0.00 0.00 58.89 61.43 1v5m h TRP 121 Cb 0.29 0.26 -0.13 0.00 -1.00 0.00 0.00 29.16 28.57 1v5m h TRP 121 CO 0.01 -0.47 0.74 0.28 -3.56 0.00 0.00 178.44 175.44 1v5m h VAL 122 N -0.90 0.19 -0.04 1.49 2.07 -1.41 0.32 116.25 117.97 1v5m h VAL 122 Ca -0.09 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 1v5m h VAL 122 Cb 0.67 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1v5m h VAL 122 CO 0.14 0.03 -0.09 0.00 0.02 0.00 0.00 177.57 177.67 1v5m h ALA 123 N 1.69 0.07 -0.91 1.67 0.00 -1.31 0.21 119.26 120.70 1v5m h ALA 123 Ca 0.78 -0.32 0.18 0.00 0.00 0.00 0.00 54.91 55.55 1v5m h ALA 123 Cb 2.23 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.93 1v5m h ALA 123 CO -0.48 -0.07 0.59 -0.44 0.00 0.00 0.00 179.25 178.85 1v5m h ASP 124 N -0.38 0.52 0.00 0.00 3.32 0.28 0.56 116.42 120.72 1v5m h ASP 124 Ca 0.00 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1v5m h ASP 124 Cb 0.67 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1v5m h ASP 124 CO 0.02 0.22 -0.27 0.40 -1.72 0.00 0.00 179.24 177.89 1v5m h ILE 125 N 0.53 0.00 -0.85 0.35 2.04 -1.26 -3.25 117.51 115.06 1v5m h ILE 125 Ca 0.47 -0.95 0.25 0.00 1.00 0.00 0.00 64.86 65.63 1v5m h ILE 125 Cb 1.01 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1v5m h ILE 125 CO -0.21 0.00 0.64 1.56 0.00 0.00 0.00 178.15 180.14 1v5m h GLN 126 N -0.95 0.00 0.00 2.37 1.08 -0.46 0.66 115.11 117.81 1v5m h GLN 126 Ca 0.00 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.15 1v5m h GLN 126 Cb 0.27 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 1v5m h GLN 126 CO 0.00 0.00 -0.23 0.78 -0.95 0.00 0.00 178.83 178.43 1v5m h GLY 127 N 0.00 0.00 0.00 3.46 0.00 -0.03 -3.32 103.07 103.18 1v5m h GLY 127 Ca 0.40 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.57 1v5m h GLY 127 CO -0.00 0.00 -1.03 0.00 0.00 0.00 0.00 176.54 175.51 1v5m n VAL 129 N -4.49 -0.13 -3.62 0.00 3.14 -0.20 -4.58 118.33 108.45 1v5m n VAL 129 Ca -0.25 1.56 -0.04 0.00 -2.96 0.00 0.00 64.34 62.65 1v5m n VAL 129 Cb 0.57 -2.57 -0.04 0.00 -1.06 0.00 0.00 33.84 30.74 1v5m n VAL 129 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1v5m s ASP 130 N -4.09 -0.12 -0.40 6.55 -1.08 -1.25 -5.02 116.67 111.26 1v5m s ASP 130 Ca -0.06 0.09 -0.12 0.00 -0.52 0.00 0.00 52.55 51.94 1v5m s ASP 130 Cb 0.27 0.11 -0.09 0.00 -1.46 0.00 0.00 42.92 41.75 1v5m s ASP 130 CO 0.80 -0.14 1.07 -0.24 0.52 0.00 0.00 175.17 177.18 1v5m n SER 131 N 0.34 0.06 0.00 -0.34 2.88 -1.26 -4.50 113.62 110.80 1v5m n SER 131 Ca -0.01 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1v5m n SER 131 Cb 0.58 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 1v5m n SER 131 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v5m n GLY 132 N 2.59 -1.26 1.74 0.46 0.00 -1.22 -4.82 105.19 102.67 1v5m n GLY 132 Ca 0.27 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.14 1v5m n GLY 132 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1v5m n PRO 133 N -0.93 -2.08 -1.34 1.61 -0.04 -1.26 -4.80 135.00 126.16 1v5m n PRO 133 Ca 0.00 -0.87 -0.57 0.00 -0.04 0.00 0.00 63.50 62.02 1v5m n PRO 133 Cb 0.00 -0.81 -0.10 0.00 -0.04 0.00 0.00 33.50 32.55 1v5m n PRO 133 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1v5m n SER 134 N -3.93 1.25 -4.29 3.54 2.88 -1.26 -4.85 113.62 106.96 1v5m n SER 134 Ca 0.08 0.62 -0.33 0.00 -1.33 0.00 0.00 58.87 57.90 1v5m n SER 134 Cb 0.29 -1.02 0.12 0.00 -0.75 0.00 0.00 64.21 62.85 1v5m n SER 134 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1v5m n SER 135 N 8.09 -2.71 0.00 -3.46 2.88 -1.26 -5.16 113.62 112.00 1v5m n SER 135 Ca 0.49 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.17 1v5m n SER 135 Cb 0.05 -1.02 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 1v5m n SER 135 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42