#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v5m n SER 2 N 0.00 -0.94 -0.10 1.61 3.41 -1.26 -4.77 113.62 111.57 1v5m n SER 2 Ca 0.00 -0.96 -0.14 0.00 -0.26 0.00 0.00 58.87 57.51 1v5m n SER 2 Cb 0.00 -1.22 -0.05 0.00 -0.26 0.00 0.00 64.21 62.68 1v5m n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1v5m n SER 3 N -1.78 1.91 -4.72 4.04 2.88 -1.26 -4.94 113.62 109.75 1v5m n SER 3 Ca 0.02 0.40 -0.42 0.00 -1.33 0.00 0.00 58.87 57.54 1v5m n SER 3 Cb 0.38 -0.81 -0.03 0.00 -0.75 0.00 0.00 64.21 63.00 1v5m n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1v5m s GLY 4 N -4.91 2.68 -0.39 0.46 0.00 -1.26 -4.95 107.32 98.94 1v5m s GLY 4 Ca -0.29 0.79 0.05 0.00 0.00 0.00 0.00 44.72 45.28 1v5m s GLY 4 CO 0.42 1.82 1.32 1.44 0.00 0.00 0.00 173.10 178.10 1v5m n SER 5 N 3.20 5.37 -4.20 1.64 7.64 -1.26 -4.92 113.62 121.08 1v5m n SER 5 Ca 0.06 -3.75 -0.35 0.00 1.01 0.00 0.00 58.87 55.84 1v5m n SER 5 Cb 0.47 -0.48 -0.03 0.00 -1.01 0.00 0.00 64.21 63.16 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 -0.69 -2.58 -1.00 6.43 7.64 -1.26 -4.94 113.62 117.22 1v5m n SER 6 Ca 0.46 -1.03 0.00 0.00 1.01 0.00 0.00 58.87 59.31 1v5m n SER 6 Cb 0.84 -2.70 0.00 0.00 -1.01 0.00 0.00 64.21 61.35 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 -1.53 0.93 3.65 0.23 0.00 -1.26 -4.74 105.19 102.47 1v5m n GLY 7 Ca -0.00 -1.41 -0.24 0.00 0.00 0.00 0.00 46.02 44.37 1v5m n GLY 7 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1v5m n ASN 8 N 0.00 -5.15 -4.57 1.61 2.85 -1.26 -4.93 115.26 103.80 1v5m n ASN 8 Ca 0.00 -0.62 -0.42 0.00 -0.11 0.00 0.00 54.58 53.43 1v5m n ASN 8 Cb 0.00 -4.74 -0.05 0.00 1.24 0.00 0.00 39.78 36.23 1v5m n ASN 8 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1v5m s LEU 9 N -7.14 4.14 -0.06 1.20 2.96 -1.26 -5.04 118.68 113.47 1v5m s LEU 9 Ca 0.49 0.23 -0.07 0.00 -0.22 0.00 0.00 54.13 54.56 1v5m s LEU 9 Cb -0.22 -3.04 -0.04 0.00 0.50 0.00 0.00 46.19 43.38 1v5m s LEU 9 CO 0.76 -0.81 0.19 0.00 -1.32 0.00 0.00 176.35 175.17 1v5m s ALA 10 N 3.23 3.88 -0.11 5.97 0.00 -1.26 -5.09 121.76 128.38 1v5m s ALA 10 Ca 0.32 -0.62 -0.12 0.00 0.00 0.00 0.00 51.96 51.54 1v5m s ALA 10 Cb -0.13 -2.00 -0.05 0.00 0.00 0.00 0.00 23.12 20.94 1v5m s ALA 10 CO 0.19 0.64 0.28 0.00 0.00 0.00 0.00 175.76 176.87 1v5m s ALA 11 N -1.15 3.70 -0.98 0.00 0.00 -1.26 -5.04 121.76 117.04 1v5m s ALA 11 Ca 0.21 -0.45 -0.14 0.00 0.00 0.00 0.00 51.96 51.57 1v5m s ALA 11 Cb -0.13 -2.27 0.20 0.00 0.00 0.00 0.00 23.12 20.92 1v5m s ALA 11 CO 0.10 0.33 1.05 0.21 0.00 0.00 0.00 175.76 177.46 1v5m s LYS 12 N -0.33 3.81 -0.12 0.00 2.47 -1.26 -4.97 119.74 119.34 1v5m s LYS 12 Ca 0.18 -2.44 -0.12 0.00 -1.56 0.00 0.00 55.97 52.03 1v5m s LYS 12 Cb -0.14 -4.70 0.03 0.00 -1.46 0.00 0.00 37.83 31.56 1v5m s LYS 12 CO 0.06 -1.50 0.34 0.54 0.16 0.00 0.00 175.35 174.95 1v5m s VAL 13 N 0.84 0.01 -0.46 4.02 0.11 -1.26 -5.12 120.40 118.53 1v5m s VAL 13 Ca 0.29 -0.05 -0.24 0.00 -2.93 0.00 0.00 61.98 59.05 1v5m s VAL 13 Cb -0.07 -0.50 0.03 0.00 -1.53 0.00 0.00 36.38 34.31 1v5m s VAL 13 CO -0.07 -0.03 0.85 -0.70 -3.33 0.00 0.00 175.10 171.82 1v5m s GLU 14 N 0.02 3.46 0.16 1.54 -6.30 -1.26 -5.04 118.70 111.28 1v5m s GLU 14 Ca -0.01 0.01 0.07 0.00 -2.50 0.00 0.00 54.97 52.53 1v5m s GLU 14 Cb -0.03 -3.93 -0.04 0.00 0.00 0.00 0.00 34.13 30.13 1v5m s GLU 14 CO 0.01 -1.17 0.01 -0.51 0.02 0.00 0.00 175.26 173.62 1v5m s LEU 15 N 3.50 3.35 -0.26 2.70 1.43 -1.26 -5.05 118.68 123.10 1v5m s LEU 15 Ca 0.33 -0.36 -0.42 0.00 -1.03 0.00 0.00 54.13 52.65 1v5m s LEU 15 Cb -0.11 -2.01 -0.18 0.00 0.03 0.00 0.00 46.19 43.91 1v5m s LEU 15 CO 0.24 0.10 1.52 0.55 0.23 0.00 0.00 176.35 178.99 1v5m n VAL 16 N -0.04 0.10 -0.10 -1.59 3.14 -1.26 -4.84 118.33 113.74 1v5m n VAL 16 Ca -0.10 -0.02 -0.12 0.00 -2.96 0.00 0.00 64.34 61.14 1v5m n VAL 16 Cb 0.55 -0.69 -0.07 0.00 -1.06 0.00 0.00 33.84 32.56 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 5.31 -1.62 -3.35 6.55 5.19 -1.97 -3.39 116.42 123.15 1v5m h ASP 17 Ca -0.47 0.22 -0.54 0.00 -0.62 0.00 0.00 57.03 55.62 1v5m h ASP 17 Cb 1.36 0.67 -0.02 0.00 0.18 0.00 0.00 39.33 41.52 1v5m h ASP 17 CO 0.89 -0.41 0.43 -0.63 -3.12 0.00 0.00 179.24 176.40 1v5m s ILE 18 N -5.76 4.70 -0.10 0.35 1.01 -1.26 -3.15 121.20 116.99 1v5m s ILE 18 Ca -0.15 1.94 -0.06 0.00 0.00 0.00 0.00 60.65 62.39 1v5m s ILE 18 Cb 0.10 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 38.27 1v5m s ILE 18 CO 0.63 0.13 0.18 1.56 0.00 0.00 0.00 174.94 177.45 1v5m h GLN 19 N 6.86 -0.05 -3.13 2.79 1.08 -1.18 -3.49 115.11 117.99 1v5m h GLN 19 Ca -0.40 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 56.68 1v5m h GLN 19 Cb 1.21 0.01 -0.20 0.00 -0.05 0.00 0.00 27.48 28.45 1v5m h GLN 19 CO 0.78 0.12 -0.31 0.50 -0.95 0.00 0.00 178.83 178.96 1v5m s ARG 20 N -1.84 0.64 -0.16 1.46 6.06 -1.25 -5.05 118.95 118.81 1v5m s ARG 20 Ca -0.04 -0.24 -0.07 0.00 -2.50 0.00 0.00 55.73 52.88 1v5m s ARG 20 Cb -0.00 0.28 0.07 0.00 0.06 0.00 0.00 34.95 35.36 1v5m s ARG 20 CO 0.13 -0.17 0.35 -2.00 -2.50 0.00 0.00 175.30 171.11 1v5m s GLU 21 N -1.38 0.28 0.36 5.12 2.12 -1.26 -1.83 118.70 122.11 1v5m s GLU 21 Ca -0.14 0.82 -0.12 0.00 0.36 0.00 0.00 54.97 55.90 1v5m s GLU 21 Cb -0.06 0.07 0.03 0.00 0.26 0.00 0.00 34.13 34.44 1v5m s GLU 21 CO 0.04 -0.22 0.67 0.20 -0.54 0.00 0.00 175.26 175.40 1v5m s GLY 22 N 2.04 0.72 -0.32 -1.50 0.00 -0.80 -5.02 107.32 102.44 1v5m s GLY 22 Ca -0.04 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 43.71 1v5m s GLY 22 CO -0.11 -0.54 0.01 0.00 0.00 0.00 0.00 173.10 172.46 1v5m s ALA 23 N -2.73 2.82 0.30 3.20 0.00 -1.26 -0.60 121.76 123.49 1v5m s ALA 23 Ca 0.20 -2.09 0.03 0.00 0.00 0.00 0.00 51.96 50.10 1v5m s ALA 23 Cb -0.03 -1.91 -0.04 0.00 0.00 0.00 0.00 23.12 21.13 1v5m s ALA 23 CO 0.14 -1.44 0.14 -0.48 0.00 0.00 0.00 175.76 174.12 1v5m s LEU 24 N 1.10 1.70 -0.06 0.00 2.34 -0.11 -4.92 118.68 118.73 1v5m s LEU 24 Ca -0.00 -1.52 -0.13 0.00 0.06 0.00 0.00 54.13 52.54 1v5m s LEU 24 Cb -0.20 0.13 -0.05 0.00 -0.56 0.00 0.00 46.19 45.50 1v5m s LEU 24 CO -0.05 -0.85 0.33 -0.13 -1.06 0.00 0.00 176.35 174.59 1v5m s ARG 25 N -3.86 3.86 0.20 1.48 0.52 -1.17 -1.15 118.95 118.83 1v5m s ARG 25 Ca 0.35 0.23 0.07 0.00 -0.52 0.00 0.00 55.73 55.86 1v5m s ARG 25 Cb 0.06 -3.25 -0.05 0.00 0.52 0.00 0.00 34.95 32.23 1v5m s ARG 25 CO 0.16 0.63 -0.12 -0.59 0.02 0.00 0.00 175.30 175.40 1v5m s PHE 26 N -0.78 1.64 0.11 -0.53 -0.71 -0.89 -0.09 117.98 116.72 1v5m s PHE 26 Ca 0.21 -0.64 -0.23 0.00 -1.04 0.00 0.00 56.93 55.23 1v5m s PHE 26 Cb -0.15 -0.80 0.06 0.00 -1.21 0.00 0.00 43.02 40.92 1v5m s PHE 26 CO 0.10 0.27 0.56 0.00 -1.34 0.00 0.00 175.22 174.81 1v5m s MET 27 N -3.69 1.18 -0.07 1.99 0.23 -0.27 -2.66 119.30 116.01 1v5m s MET 27 Ca 0.22 -0.39 0.05 0.00 -1.03 0.00 0.00 55.69 54.54 1v5m s MET 27 Cb 0.01 0.54 -0.01 0.00 -1.53 0.00 0.00 34.83 33.84 1v5m s MET 27 CO 0.06 -0.48 -0.23 0.08 -2.03 0.00 0.00 175.02 172.42 1v5m s VAL 28 N -3.24 2.21 -0.57 5.16 1.01 -1.26 0.06 120.40 123.77 1v5m s VAL 28 Ca -0.01 -1.00 -0.27 0.00 0.00 0.00 0.00 61.98 60.70 1v5m s VAL 28 Cb -0.00 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 1v5m s VAL 28 CO -0.08 0.57 1.87 0.00 0.00 0.00 0.00 175.10 177.46 1v5m s ALA 29 N -0.05 2.24 0.23 5.51 0.00 -1.14 -4.90 121.76 123.65 1v5m s ALA 29 Ca -0.06 -0.50 -0.21 0.00 0.00 0.00 0.00 51.96 51.19 1v5m s ALA 29 Cb -0.15 -4.27 0.03 0.00 0.00 0.00 0.00 23.12 18.74 1v5m s ALA 29 CO 0.05 -3.75 0.65 0.34 0.00 0.00 0.00 175.76 173.05 1v5m s ASP 30 N 7.99 -0.34 0.27 0.00 2.15 -1.26 -4.84 116.67 120.64 1v5m s ASP 30 Ca 0.70 -0.43 0.07 0.00 0.43 0.00 0.00 52.55 53.33 1v5m s ASP 30 Cb -0.14 0.67 -0.03 0.00 -0.30 0.00 0.00 42.92 43.11 1v5m s ASP 30 CO 0.23 -1.19 0.20 -0.62 -0.17 0.00 0.00 175.17 173.62 1v5m s ASP 31 N -2.87 5.39 0.00 -0.34 -1.08 -1.26 -5.05 116.67 111.46 1v5m s ASP 31 Ca 0.08 -0.34 0.00 0.00 -0.52 0.00 0.00 52.55 51.77 1v5m s ASP 31 Cb -0.04 -1.26 0.00 0.00 -1.46 0.00 0.00 42.92 40.16 1v5m s ASP 31 CO -0.00 -0.11 0.00 0.00 0.52 0.00 0.00 175.17 175.58 1v5m n ALA 32 N -1.20 2.92 -3.05 3.66 0.00 -1.26 -5.06 120.51 116.52 1v5m n ALA 32 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.25 1v5m n ALA 32 Cb 0.58 0.34 0.05 0.00 0.00 0.00 0.00 19.45 20.43 1v5m n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v5m n ALA 33 N -2.79 -0.90 -0.02 0.00 0.00 -1.26 -4.97 120.51 110.57 1v5m n ALA 33 Ca 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 53.44 53.55 1v5m n ALA 33 Cb 0.34 -2.89 -0.01 0.00 0.00 0.00 0.00 19.45 16.89 1v5m n ALA 33 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1v5m n SER 34 N -1.49 1.44 0.00 0.00 7.64 -1.26 -5.15 113.62 114.80 1v5m n SER 34 Ca -0.05 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1v5m n SER 34 Cb 0.56 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 1v5m n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v5m n GLY 35 N 2.48 -0.84 1.93 0.23 0.00 -1.26 -5.17 105.19 102.56 1v5m n GLY 35 Ca -0.07 -0.75 -0.16 0.00 0.00 0.00 0.00 46.02 45.04 1v5m n GLY 35 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1v5m n PRO 36 N 0.00 -2.20 -3.15 1.61 -0.04 -1.26 -5.09 135.00 124.87 1v5m n PRO 36 Ca 0.00 -0.96 0.05 0.00 -0.04 0.00 0.00 63.50 62.55 1v5m n PRO 36 Cb 0.00 -0.90 -0.01 0.00 -0.04 0.00 0.00 33.50 32.54 1v5m n PRO 36 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1v5m s GLY 37 N -3.58 -0.42 0.00 0.55 0.00 -1.26 -5.09 107.32 97.53 1v5m s GLY 37 Ca 0.39 2.68 0.00 0.00 0.00 0.00 0.00 44.72 47.79 1v5m s GLY 37 CO 0.30 3.85 0.87 0.61 0.00 0.00 0.00 173.10 178.73 1v5m n GLY 38 N 5.43 -2.76 3.38 0.20 0.00 -1.26 -4.72 105.19 105.46 1v5m n GLY 38 Ca -0.05 0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1v5m n GLY 38 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1v5m n THR 39 N -1.85 0.22 -2.81 2.61 -2.24 -1.26 -4.91 114.28 104.04 1v5m n THR 39 Ca 0.00 -0.25 -0.41 0.00 -2.27 0.00 0.00 64.05 61.12 1v5m n THR 39 Cb 0.00 -0.57 -0.04 0.00 -2.10 0.00 0.00 70.33 67.63 1v5m n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1v5m s ALA 40 N -2.29 3.22 0.24 6.98 0.00 -1.26 -4.92 121.76 123.73 1v5m s ALA 40 Ca 0.56 0.41 0.08 0.00 0.00 0.00 0.00 51.96 53.01 1v5m s ALA 40 Cb -0.23 -3.22 0.75 0.00 0.00 0.00 0.00 23.12 20.42 1v5m s ALA 40 CO 0.68 -0.20 1.13 0.94 0.00 0.00 0.00 175.76 178.30 1v5m n GLN 41 N 3.90 -0.05 -0.94 0.00 0.00 -1.26 -4.55 117.38 114.48 1v5m n GLN 41 Ca 0.04 1.03 -0.34 0.00 -0.00 0.00 0.00 57.00 57.73 1v5m n GLN 41 Cb 0.51 -1.74 -0.03 0.00 0.00 0.00 0.00 30.24 28.98 1v5m n GLN 41 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.06 177.97 1v5m n TRP 42 N -4.81 -0.05 -4.38 3.69 7.02 -1.26 -4.94 117.44 112.71 1v5m n TRP 42 Ca 0.22 0.66 -0.27 0.00 -1.02 0.00 0.00 57.50 57.08 1v5m n TRP 42 Cb 0.73 -1.32 -0.17 0.00 -2.42 0.00 0.00 31.31 28.14 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 -0.41 1.99 0.21 -0.99 -0.21 -1.09 -4.96 119.66 114.20 1v5m s GLN 43 Ca 0.49 -0.48 -0.32 0.00 0.02 0.00 0.00 55.36 55.07 1v5m s GLN 43 Cb -0.69 -1.73 -0.13 0.00 1.00 0.00 0.00 33.01 31.46 1v5m s GLN 43 CO 0.37 -0.08 1.62 0.36 -2.12 0.00 0.00 175.29 175.44 1v5m n LYS 44 N 4.25 2.46 -3.93 2.91 2.85 -1.26 -2.10 118.16 123.35 1v5m n LYS 44 Ca -0.19 0.88 -0.08 0.00 -1.05 0.00 0.00 58.31 57.87 1v5m n LYS 44 Cb 0.51 -2.67 -0.04 0.00 -0.65 0.00 0.00 35.03 32.18 1v5m n LYS 44 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1v5m s ARG 46 N -3.97 2.69 -0.25 0.00 3.52 -0.44 -0.93 118.95 119.57 1v5m s ARG 46 Ca 0.17 -1.04 -0.25 0.00 -0.13 0.00 0.00 55.73 54.48 1v5m s ARG 46 Cb -0.03 -2.74 -0.00 0.00 -1.56 0.00 0.00 34.95 30.63 1v5m s ARG 46 CO 0.07 -0.37 0.86 -1.17 -0.81 0.00 0.00 175.30 173.88 1v5m s LEU 47 N 1.22 4.08 -0.16 -0.88 2.96 0.23 -2.49 118.68 123.64 1v5m s LEU 47 Ca -0.01 1.02 0.01 0.00 -0.22 0.00 0.00 54.13 54.94 1v5m s LEU 47 Cb -0.16 -3.23 0.02 0.00 0.50 0.00 0.00 46.19 43.32 1v5m s LEU 47 CO -0.09 -0.56 -0.18 -0.22 -1.32 0.00 0.00 176.35 173.97 1v5m s LEU 48 N 2.93 1.96 -0.43 -0.68 2.96 -0.90 -1.91 118.68 122.61 1v5m s LEU 48 Ca 0.36 -0.57 -0.03 0.00 -0.22 0.00 0.00 54.13 53.67 1v5m s LEU 48 Cb -0.15 -1.35 0.12 0.00 0.50 0.00 0.00 46.19 45.30 1v5m s LEU 48 CO 0.08 0.00 0.23 -0.22 -1.32 0.00 0.00 176.35 175.12 1v5m s LEU 49 N 1.21 5.23 0.23 -0.68 0.20 -0.76 -2.05 118.68 122.06 1v5m s LEU 49 Ca 0.01 -2.15 0.10 0.00 0.69 0.00 0.00 54.13 52.79 1v5m s LEU 49 Cb -0.14 -1.83 -0.04 0.00 -0.43 0.00 0.00 46.19 43.75 1v5m s LEU 49 CO -0.09 -0.52 -0.13 0.00 -0.29 0.00 0.00 176.35 175.33 1v5m s ARG 50 N 0.97 1.92 0.26 1.98 1.70 -1.14 -0.83 118.95 123.81 1v5m s ARG 50 Ca 0.09 -1.47 -0.27 0.00 -0.47 0.00 0.00 55.73 53.62 1v5m s ARG 50 Cb -0.22 -2.01 -0.09 0.00 -0.57 0.00 0.00 34.95 32.05 1v5m s ARG 50 CO -0.04 0.39 0.90 -0.98 -1.08 0.00 0.00 175.30 174.49 1v5m s ARG 51 N -3.15 4.68 0.31 3.89 1.70 -1.19 -0.78 118.95 124.42 1v5m s ARG 51 Ca 0.27 1.34 -0.02 0.00 -0.47 0.00 0.00 55.73 56.84 1v5m s ARG 51 Cb -0.07 -3.08 -0.04 0.00 -0.57 0.00 0.00 34.95 31.19 1v5m s ARG 51 CO 0.15 0.43 0.55 0.00 -1.08 0.00 0.00 175.30 175.36 1v5m s ALA 52 N -1.35 3.66 -0.01 7.88 0.00 0.38 -4.77 121.76 127.55 1v5m s ALA 52 Ca 0.44 -0.71 0.05 0.00 0.00 0.00 0.00 51.96 51.73 1v5m s ALA 52 Cb -0.22 -2.22 -0.01 0.00 0.00 0.00 0.00 23.12 20.67 1v5m s ALA 52 CO 0.27 0.12 -0.15 0.14 0.00 0.00 0.00 175.76 176.15 1v5m s VAL 53 N -2.19 1.17 -0.46 0.00 -7.23 -1.26 -4.70 120.40 105.74 1v5m s VAL 53 Ca 0.42 -0.66 -0.02 0.00 -1.81 0.00 0.00 61.98 59.91 1v5m s VAL 53 Cb -0.10 -0.98 0.00 0.00 0.56 0.00 0.00 36.38 35.86 1v5m s VAL 53 CO 0.33 0.31 0.39 0.00 -0.31 0.00 0.00 175.10 175.83 1v5m n ALA 54 N 2.66 -0.51 0.00 1.32 0.00 -1.26 -4.81 120.51 117.90 1v5m n ALA 54 Ca -0.15 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1v5m n ALA 54 Cb 0.55 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 18.03 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 -1.03 0.23 2.47 0.00 0.00 -1.26 -5.12 105.19 100.47 1v5m n GLY 55 Ca -0.02 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 1v5m n GLY 55 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1v5m n GLU 56 N 0.00 0.00 0.05 1.61 4.71 -1.26 -4.89 120.64 120.86 1v5m n GLU 56 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.16 56.95 1v5m n GLU 56 Cb 0.00 -0.78 -0.14 0.00 -1.01 0.00 0.00 31.44 29.51 1v5m n GLU 56 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1v5m h ARG 57 N -0.25 0.36 -4.03 3.49 2.47 -1.96 -3.37 114.38 111.09 1v5m h ARG 57 Ca -0.33 -0.54 -0.12 0.00 -1.26 0.00 0.00 59.98 57.73 1v5m h ARG 57 Cb 1.09 0.19 -0.13 0.00 -1.65 0.00 0.00 29.97 29.47 1v5m h ARG 57 CO 0.28 1.23 -0.42 -0.06 0.56 0.00 0.00 179.97 181.56 1v5m s PHE 58 N -2.64 0.49 -0.03 3.04 0.40 -1.26 -0.47 117.98 117.51 1v5m s PHE 58 Ca -0.13 -0.88 0.01 0.00 -0.60 0.00 0.00 56.93 55.33 1v5m s PHE 58 Cb 0.02 -0.18 0.02 0.00 0.51 0.00 0.00 43.02 43.39 1v5m s PHE 58 CO 0.84 -0.64 -0.02 0.50 0.70 0.00 0.00 175.22 176.61 1v5m s ARG 59 N -3.97 0.49 -0.17 0.44 3.52 0.04 -1.78 118.95 117.52 1v5m s ARG 59 Ca 0.17 -0.01 -0.08 0.00 -0.13 0.00 0.00 55.73 55.68 1v5m s ARG 59 Cb 0.05 -0.59 -0.04 0.00 -1.56 0.00 0.00 34.95 32.81 1v5m s ARG 59 CO -0.01 -0.09 0.10 -1.17 -0.81 0.00 0.00 175.30 173.32 1v5m s LEU 60 N 0.87 4.08 -0.04 -0.88 1.98 0.12 -2.87 118.68 121.93 1v5m s LEU 60 Ca -0.10 0.22 0.06 0.00 -2.89 0.00 0.00 54.13 51.42 1v5m s LEU 60 Cb -0.13 -2.03 -0.01 0.00 0.66 0.00 0.00 46.19 44.68 1v5m s LEU 60 CO -0.01 0.23 -0.22 -1.61 -1.89 0.00 0.00 176.35 172.86 1v5m s GLU 61 N 0.02 2.03 -0.52 1.98 2.02 -0.87 0.67 118.70 124.04 1v5m s GLU 61 Ca 0.08 -0.78 0.04 0.00 0.02 0.00 0.00 54.97 54.33 1v5m s GLU 61 Cb -0.12 -1.82 0.13 0.00 0.10 0.00 0.00 34.13 32.42 1v5m s GLU 61 CO 0.00 0.38 0.26 -0.06 0.02 0.00 0.00 175.26 175.86 1v5m s PHE 62 N -0.25 3.16 -0.21 1.61 0.40 -1.23 -2.12 117.98 119.34 1v5m s PHE 62 Ca 0.01 -3.16 -0.29 0.00 -0.60 0.00 0.00 56.93 52.89 1v5m s PHE 62 Cb -0.11 -2.80 -0.02 0.00 0.51 0.00 0.00 43.02 40.60 1v5m s PHE 62 CO 0.01 -0.74 1.51 -0.06 0.70 0.00 0.00 175.22 176.64 1v5m s PHE 63 N -0.27 2.31 -0.23 0.36 0.40 -1.04 -1.91 117.98 117.60 1v5m s PHE 63 Ca 0.17 0.64 -0.02 0.00 -0.60 0.00 0.00 56.93 57.11 1v5m s PHE 63 Cb -0.26 -3.90 0.07 0.00 0.51 0.00 0.00 43.02 39.45 1v5m s PHE 63 CO -0.00 -2.61 0.06 0.08 0.70 0.00 0.00 175.22 173.45 1v5m s VAL 64 N 4.68 0.54 1.02 -0.44 1.01 -1.26 -1.33 120.40 124.62 1v5m s VAL 64 Ca 0.66 -0.79 -0.13 0.00 0.00 0.00 0.00 61.98 61.73 1v5m s VAL 64 Cb -0.24 -1.18 0.20 0.00 0.00 0.00 0.00 36.38 35.16 1v5m s VAL 64 CO 0.26 -0.38 1.09 -2.16 0.00 0.00 0.00 175.10 173.91 1v5m s PRO 65 N 1.83 0.27 0.00 2.72 0.04 -1.26 -4.66 135.00 133.93 1v5m s PRO 65 Ca 0.03 0.47 0.11 0.00 0.04 0.00 0.00 61.00 61.65 1v5m s PRO 65 Cb -0.17 -1.72 0.68 0.00 0.04 0.00 0.00 34.50 33.32 1v5m s PRO 65 CO -0.16 -2.83 1.11 -0.35 0.04 0.00 0.00 177.00 174.82 1v5m n PRO 66 N -4.23 0.49 -0.05 0.56 -0.04 -0.69 -2.19 135.00 128.85 1v5m n PRO 66 Ca 0.05 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.48 1v5m n PRO 66 Cb 0.57 -1.36 -0.14 0.00 -0.04 0.00 0.00 33.50 32.53 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 -0.86 0.66 -1.66 0.54 0.00 -1.26 -4.75 118.16 110.82 1v5m n LYS 67 Ca 0.09 0.03 -0.38 0.00 0.00 0.00 0.00 58.31 58.05 1v5m n LYS 67 Cb 0.04 -1.61 0.06 0.00 0.00 0.00 0.00 35.03 33.52 1v5m n LYS 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1v5m n ALA 68 N -2.55 0.63 0.08 3.14 0.00 -0.93 -4.92 120.51 115.96 1v5m n ALA 68 Ca -0.20 0.02 -0.11 0.00 0.00 0.00 0.00 53.44 53.15 1v5m n ALA 68 Cb 0.96 -2.20 -0.02 0.00 0.00 0.00 0.00 19.45 18.18 1v5m n ALA 68 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1v5m h SER 69 N 0.64 0.37 -3.41 0.00 0.02 -1.93 -3.45 113.55 105.79 1v5m h SER 69 Ca -0.49 -0.30 -0.68 0.00 -0.84 0.00 0.00 61.79 59.48 1v5m h SER 69 Cb 1.35 -0.11 -0.16 0.00 0.14 0.00 0.00 62.40 63.62 1v5m h SER 69 CO 0.52 1.10 -0.64 -0.13 -1.14 0.00 0.00 176.83 176.54 1v5m s ARG 70 N -3.23 2.91 0.29 3.45 0.52 -1.26 -5.09 118.95 116.54 1v5m s ARG 70 Ca -0.04 -0.45 -0.29 0.00 -0.52 0.00 0.00 55.73 54.43 1v5m s ARG 70 Cb 0.10 -2.74 -0.10 0.00 0.52 0.00 0.00 34.95 32.73 1v5m s ARG 70 CO 0.84 0.69 1.24 -1.25 0.02 0.00 0.00 175.30 176.85 1v5m s PRO 71 N -0.90 4.45 -0.09 3.54 0.04 -1.26 -4.65 135.00 136.12 1v5m s PRO 71 Ca 0.13 2.06 -0.23 0.00 0.04 0.00 0.00 61.00 63.01 1v5m s PRO 71 Cb -0.11 -3.13 -0.29 0.00 0.04 0.00 0.00 34.50 31.01 1v5m s PRO 71 CO 0.02 -0.07 0.76 -0.22 0.04 0.00 0.00 177.00 177.54 1v5m h LYS 72 N 3.85 0.19 -2.28 4.56 3.64 -1.65 -3.39 116.57 121.49 1v5m h LYS 72 Ca -0.48 -0.33 -0.61 0.00 -1.27 0.00 0.00 60.65 57.97 1v5m h LYS 72 Cb 1.22 0.12 -0.41 0.00 -0.41 0.00 0.00 32.23 32.75 1v5m h LYS 72 CO 0.68 1.16 -0.49 0.28 -2.27 0.00 0.00 179.45 178.80 1v5m n VAL 73 N -4.24 3.19 -2.13 2.00 0.31 -1.07 -5.02 118.33 111.37 1v5m n VAL 73 Ca -0.16 -5.55 -0.43 0.00 -0.01 0.00 0.00 64.34 58.19 1v5m n VAL 73 Cb 0.74 -1.56 -0.02 0.00 -0.91 0.00 0.00 33.84 32.08 1v5m n VAL 73 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1v5m s SER 74 N -3.11 6.20 -0.13 4.52 0.15 -1.26 -3.53 113.70 116.54 1v5m s SER 74 Ca 0.46 1.32 0.02 0.00 0.70 0.00 0.00 55.95 58.45 1v5m s SER 74 Cb 0.24 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 1v5m s SER 74 CO -0.11 -1.45 -0.20 -0.63 1.20 0.00 0.00 173.24 172.04 1v5m s ILE 75 N 5.84 2.26 0.23 6.45 1.01 0.21 -4.96 121.20 132.25 1v5m s ILE 75 Ca 0.72 -0.92 -0.30 0.00 0.00 0.00 0.00 60.65 60.15 1v5m s ILE 75 Cb -0.21 -1.91 -0.09 0.00 0.01 0.00 0.00 42.46 40.26 1v5m s ILE 75 CO 0.31 0.54 1.28 -2.16 0.00 0.00 0.00 174.94 174.92 1v5m s PRO 76 N 0.64 4.41 0.36 2.79 0.04 -1.26 0.14 135.00 142.13 1v5m s PRO 76 Ca -0.10 2.05 0.17 0.00 0.04 0.00 0.00 61.00 63.16 1v5m s PRO 76 Cb -0.16 -3.17 1.12 0.00 0.04 0.00 0.00 34.50 32.33 1v5m s PRO 76 CO 0.02 -0.18 1.68 1.25 0.04 0.00 0.00 177.00 179.81 1v5m h LEU 77 N 4.82 0.48 -1.17 -3.56 7.12 -1.64 0.60 115.31 121.97 1v5m h LEU 77 Ca -0.46 0.16 0.13 0.00 0.13 0.00 0.00 57.88 57.84 1v5m h LEU 77 Cb 1.22 0.10 -0.08 0.00 -0.53 0.00 0.00 40.66 41.37 1v5m h LEU 77 CO 0.74 -0.07 0.60 0.77 -0.13 0.00 0.00 178.44 180.34 1v5m h SER 78 N 0.33 0.78 -0.67 1.25 4.64 -1.91 -1.43 113.55 116.54 1v5m h SER 78 Ca 0.71 0.04 0.12 0.00 -0.47 0.00 0.00 61.79 62.20 1v5m h SER 78 Cb 1.73 -0.11 -0.09 0.00 -0.31 0.00 0.00 62.40 63.62 1v5m h SER 78 CO -0.50 0.41 0.21 0.00 -0.87 0.00 0.00 176.83 176.08 1v5m h ALA 79 N 1.57 0.87 -2.67 5.18 0.00 -0.14 -3.41 119.26 120.65 1v5m h ALA 79 Ca 0.46 0.12 -0.54 0.00 0.00 0.00 0.00 54.91 54.95 1v5m h ALA 79 Cb 0.59 0.13 0.08 0.00 0.00 0.00 0.00 17.79 18.60 1v5m h ALA 79 CO -0.23 -0.25 0.84 -0.89 0.00 0.00 0.00 179.25 178.72 1v5m n ILE 80 N -5.06 0.93 0.00 0.00 2.08 -0.54 -0.03 119.36 116.74 1v5m n ILE 80 Ca 0.11 -0.23 0.00 0.00 0.56 0.00 0.00 62.75 63.19 1v5m n ILE 80 Cb 0.36 -1.87 0.00 0.00 -0.75 0.00 0.00 39.64 37.39 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 2.23 0.00 -3.71 1.39 -5.35 -1.06 -4.87 119.36 107.99 1v5m n ILE 81 Ca 0.10 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.45 1v5m n ILE 81 Cb 0.35 -0.44 -0.10 0.00 -1.74 0.00 0.00 39.64 37.72 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 -1.44 0.53 -0.25 6.28 2.12 -1.19 -5.08 118.70 119.67 1v5m s GLU 82 Ca 0.00 0.70 0.01 0.00 0.36 0.00 0.00 54.97 56.05 1v5m s GLU 82 Cb 0.00 0.21 0.06 0.00 0.26 0.00 0.00 34.13 34.66 1v5m s GLU 82 CO 0.00 -0.09 -0.06 0.54 -0.54 0.00 0.00 175.26 175.11 1v5m s VAL 83 N 0.53 1.73 0.23 3.70 0.11 -1.26 -1.66 120.40 123.77 1v5m s VAL 83 Ca -0.02 -1.40 -0.14 0.00 -2.93 0.00 0.00 61.98 57.49 1v5m s VAL 83 Cb -0.04 -1.97 0.28 0.00 -1.53 0.00 0.00 36.38 33.11 1v5m s VAL 83 CO -0.03 -0.12 1.59 0.03 -3.33 0.00 0.00 175.10 173.24 1v5m h ARG 84 N 7.89 -0.04 -4.02 1.54 3.08 -1.94 -3.44 114.38 117.45 1v5m h ARG 84 Ca -0.17 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.64 1v5m h ARG 84 Cb 1.06 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 1v5m h ARG 84 CO 0.43 -0.02 -0.32 0.25 -1.07 0.00 0.00 179.97 179.24 1v5m n THR 85 N -5.50 -0.59 -3.66 2.04 -2.24 -1.26 -4.91 114.28 98.16 1v5m n THR 85 Ca 0.10 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.78 1v5m n THR 85 Cb 0.40 -1.67 -0.08 0.00 -2.10 0.00 0.00 70.33 66.87 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 -2.60 -0.00 -0.08 4.28 2.01 -1.26 -5.01 115.64 112.96 1v5m s THR 86 Ca 0.03 0.02 -0.01 0.00 0.31 0.00 0.00 61.69 62.04 1v5m s THR 86 Cb -0.02 -0.89 -0.03 0.00 0.01 0.00 0.00 72.50 71.57 1v5m s THR 86 CO 0.04 0.01 -0.02 -0.04 -0.69 0.00 0.00 174.62 173.92 1v5m s MET 87 N 1.20 2.96 0.37 4.92 1.00 -1.26 -4.92 119.30 123.57 1v5m s MET 87 Ca -0.07 -0.45 -0.06 0.00 0.00 0.00 0.00 55.69 55.11 1v5m s MET 87 Cb -0.05 -2.75 0.09 0.00 0.00 0.00 0.00 34.83 32.12 1v5m s MET 87 CO -0.12 0.67 0.33 -0.35 0.00 0.00 0.00 175.02 175.54 1v5m n PRO 88 N 2.23 -1.66 -0.99 2.03 -0.04 -1.26 -4.82 135.00 130.49 1v5m n PRO 88 Ca -0.18 -0.52 -0.30 0.00 -0.04 0.00 0.00 63.50 62.46 1v5m n PRO 88 Cb 0.53 -0.49 -0.02 0.00 -0.04 0.00 0.00 33.50 33.48 1v5m n PRO 88 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1v5m n LEU 89 N 0.00 6.20 0.06 1.53 -0.00 -1.26 -3.98 117.00 119.55 1v5m n LEU 89 Ca 0.05 -3.42 0.00 0.00 -0.00 0.00 0.00 56.01 52.63 1v5m n LEU 89 Cb 0.18 -1.27 0.00 0.00 -0.00 0.00 0.00 43.42 42.32 1v5m n LEU 89 CO 0.12 1.05 -0.03 1.21 -0.00 0.00 0.00 177.39 179.74 1v5m n GLU 90 N 4.27 0.00 -2.36 1.96 2.13 -1.26 -5.05 120.64 120.32 1v5m n GLU 90 Ca 0.56 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.98 1v5m n GLU 90 Cb 0.19 -0.44 -0.04 0.00 0.27 0.00 0.00 31.44 31.42 1v5m n GLU 90 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 1v5m s MET 91 N -2.00 4.53 -0.01 5.31 -1.94 -1.26 -4.99 119.30 118.95 1v5m s MET 91 Ca 0.00 1.92 -0.13 0.00 -1.71 0.00 0.00 55.69 55.77 1v5m s MET 91 Cb 0.00 -3.17 -0.07 0.00 2.01 0.00 0.00 34.83 33.59 1v5m s MET 91 CO 0.00 0.04 0.71 -1.00 -0.01 0.00 0.00 175.02 174.76 1v5m h PRO 92 N 4.09 -0.45 0.00 2.03 0.13 -1.96 -3.42 132.00 132.42 1v5m h PRO 92 Ca -0.47 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1v5m h PRO 92 Cb 1.22 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1v5m h PRO 92 CO 0.69 -0.30 0.00 -1.91 -0.23 0.00 0.00 178.00 176.25 1v5m n GLU 93 N -4.15 0.65 -1.10 0.86 2.13 -1.26 -4.94 120.64 112.82 1v5m n GLU 93 Ca -0.06 -0.69 -0.34 0.00 0.66 0.00 0.00 57.16 56.74 1v5m n GLU 93 Cb 0.18 -0.63 -0.03 0.00 0.27 0.00 0.00 31.44 31.24 1v5m n GLU 93 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1v5m n LYS 94 N -0.11 2.31 -0.56 5.31 4.01 -1.26 -4.64 118.16 123.22 1v5m n LYS 94 Ca 0.00 -1.87 -0.10 0.00 -0.51 0.00 0.00 58.31 55.83 1v5m n LYS 94 Cb 0.41 -2.77 0.05 0.00 -0.51 0.00 0.00 35.03 32.21 1v5m n LYS 94 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1v5m n ASP 95 N 5.33 4.34 -2.32 4.39 9.92 -1.26 -4.15 116.55 132.80 1v5m n ASP 95 Ca 0.53 -2.68 -0.21 0.00 -0.53 0.00 0.00 54.79 51.90 1v5m n ASP 95 Cb 0.27 -0.79 0.02 0.00 -0.64 0.00 0.00 41.12 39.98 1v5m n ASP 95 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1v5m n ASN 96 N 0.19 4.15 -4.10 -2.24 6.94 -1.26 -4.06 115.26 114.88 1v5m n ASN 96 Ca 0.21 -3.44 -0.14 0.00 -0.02 0.00 0.00 54.58 51.20 1v5m n ASN 96 Cb 0.78 -0.41 -0.11 0.00 -2.36 0.00 0.00 39.78 37.68 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 -4.67 0.69 -0.16 5.53 -4.23 -1.26 -1.72 115.64 109.82 1v5m s THR 97 Ca 0.45 -1.26 -0.13 0.00 -1.18 0.00 0.00 61.69 59.58 1v5m s THR 97 Cb 0.40 -0.87 0.04 0.00 1.34 0.00 0.00 72.50 73.42 1v5m s THR 97 CO -0.04 -0.43 0.40 0.72 -0.54 0.00 0.00 174.62 174.74 1v5m s PHE 98 N -1.70 -0.49 0.01 3.99 -0.12 -1.08 -4.59 117.98 114.00 1v5m s PHE 98 Ca -0.05 1.13 -0.14 0.00 -0.05 0.00 0.00 56.93 57.83 1v5m s PHE 98 Cb -0.08 0.18 -0.06 0.00 -0.63 0.00 0.00 43.02 42.44 1v5m s PHE 98 CO 0.00 -0.25 0.40 0.08 -0.05 0.00 0.00 175.22 175.40 1v5m s VAL 99 N 0.56 5.06 -0.33 -2.49 1.01 -1.26 -2.25 120.40 120.69 1v5m s VAL 99 Ca -0.03 0.74 -0.01 0.00 0.00 0.00 0.00 61.98 62.68 1v5m s VAL 99 Cb -0.04 -3.69 0.07 0.00 0.00 0.00 0.00 36.38 32.72 1v5m s VAL 99 CO -0.03 0.52 0.05 -0.76 0.00 0.00 0.00 175.10 174.89 1v5m s LEU 100 N -1.24 4.34 -0.66 3.92 1.43 -1.06 -3.02 118.68 122.39 1v5m s LEU 100 Ca 0.25 -1.58 -0.19 0.00 -1.03 0.00 0.00 54.13 51.59 1v5m s LEU 100 Cb -0.16 -1.73 0.12 0.00 0.03 0.00 0.00 46.19 44.45 1v5m s LEU 100 CO 0.14 -0.35 0.78 -0.75 0.23 0.00 0.00 176.35 176.40 1v5m s LYS 101 N 1.18 3.17 1.02 1.70 2.20 -0.67 -2.00 119.74 126.34 1v5m s LYS 101 Ca -0.00 -1.45 -0.16 0.00 -0.36 0.00 0.00 55.97 54.00 1v5m s LYS 101 Cb -0.20 -4.36 0.22 0.00 -1.51 0.00 0.00 37.83 31.97 1v5m s LYS 101 CO -0.03 -1.57 1.24 0.14 -0.36 0.00 0.00 175.35 174.77 1v5m s VAL 102 N 2.55 1.88 0.34 4.02 -7.23 -0.90 -2.57 120.40 118.50 1v5m s VAL 102 Ca 0.15 0.00 0.19 0.00 -1.81 0.00 0.00 61.98 60.52 1v5m s VAL 102 Cb -0.20 -2.83 0.18 0.00 0.56 0.00 0.00 36.38 34.09 1v5m s VAL 102 CO 0.03 0.00 1.90 1.05 -0.31 0.00 0.00 175.10 177.77 1v5m h GLU 103 N -1.88 0.00 -1.19 4.82 4.11 -0.78 -2.75 114.58 116.92 1v5m h GLU 103 Ca -0.45 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 58.86 1v5m h GLU 103 Cb 1.26 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.45 1v5m h GLU 103 CO 0.40 0.27 0.15 -1.71 0.07 0.00 0.00 179.01 178.19 1v5m n ASN 104 N -3.83 3.80 -4.02 3.06 5.15 -1.26 -4.85 115.26 113.30 1v5m n ASN 104 Ca -0.01 -2.42 -0.44 0.00 -0.60 0.00 0.00 54.58 51.10 1v5m n ASN 104 Cb 0.36 -0.70 0.02 0.00 -0.53 0.00 0.00 39.78 38.93 1v5m n ASN 104 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1v5m n GLY 105 N 0.35 -0.91 2.76 8.20 0.00 -1.04 -4.96 105.19 109.60 1v5m n GLY 105 Ca 0.13 0.38 -0.21 0.00 0.00 0.00 0.00 46.02 46.31 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 -3.45 0.51 -0.13 4.61 0.00 -1.26 -4.97 121.76 117.08 1v5m s ALA 106 Ca 0.43 0.01 -0.13 0.00 0.00 0.00 0.00 51.96 52.27 1v5m s ALA 106 Cb -0.23 -0.63 -0.05 0.00 0.00 0.00 0.00 23.12 22.21 1v5m s ALA 106 CO 0.96 -0.38 0.28 -1.21 0.00 0.00 0.00 175.76 175.41 1v5m s GLU 107 N 1.81 4.05 -0.36 0.00 2.02 -1.24 -2.12 118.70 122.86 1v5m s GLU 107 Ca 0.02 0.10 0.03 0.00 0.02 0.00 0.00 54.97 55.13 1v5m s GLU 107 Cb -0.12 -3.35 0.10 0.00 0.10 0.00 0.00 34.13 30.86 1v5m s GLU 107 CO -0.04 0.42 0.09 0.71 0.02 0.00 0.00 175.26 176.46 1v5m s TYR 108 N -0.08 3.10 -0.39 1.61 1.51 -0.85 -2.90 117.35 119.36 1v5m s TYR 108 Ca 0.17 -2.68 -0.29 0.00 -1.01 0.00 0.00 57.07 53.26 1v5m s TYR 108 Cb -0.13 -2.56 0.02 0.00 -0.11 0.00 0.00 41.96 39.17 1v5m s TYR 108 CO 0.05 -0.90 1.21 0.42 -1.11 0.00 0.00 175.55 175.22 1v5m s ILE 109 N 0.93 4.21 -0.02 2.71 1.01 0.11 -2.55 121.20 127.60 1v5m s ILE 109 Ca 0.12 1.30 0.00 0.00 0.00 0.00 0.00 60.65 62.07 1v5m s ILE 109 Cb -0.20 -4.40 -0.04 0.00 0.01 0.00 0.00 42.46 37.84 1v5m s ILE 109 CO -0.11 -0.73 0.03 -0.76 0.00 0.00 0.00 174.94 173.37 1v5m s LEU 110 N 4.43 3.66 -0.30 2.97 1.02 -0.95 -1.11 118.68 128.40 1v5m s LEU 110 Ca 0.52 0.07 0.03 0.00 0.02 0.00 0.00 54.13 54.77 1v5m s LEU 110 Cb -0.11 -2.06 0.08 0.00 0.02 0.00 0.00 46.19 44.11 1v5m s LEU 110 CO 0.26 0.30 -0.03 -0.70 0.02 0.00 0.00 176.35 176.20 1v5m s GLU 111 N -1.49 1.85 0.76 1.70 2.12 0.87 -2.65 118.70 121.86 1v5m s GLU 111 Ca 0.19 -1.56 -0.05 0.00 0.36 0.00 0.00 54.97 53.91 1v5m s GLU 111 Cb -0.12 -3.00 0.16 0.00 0.26 0.00 0.00 34.13 31.44 1v5m s GLU 111 CO 0.10 -0.74 1.04 0.25 -0.54 0.00 0.00 175.26 175.37 1v5m n THR 112 N 4.37 0.00 0.01 -1.70 -2.24 -0.70 -3.07 114.28 110.96 1v5m n THR 112 Ca -0.06 -1.28 -0.05 0.00 -2.27 0.00 0.00 64.05 60.39 1v5m n THR 112 Cb 0.42 -1.14 -0.03 0.00 -2.10 0.00 0.00 70.33 67.48 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 -0.98 0.00 -3.18 2.28 1.08 -1.91 -3.47 117.51 111.32 1v5m h ILE 113 Ca -0.34 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.11 1v5m h ILE 113 Cb 1.13 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.85 1v5m h ILE 113 CO 0.32 0.00 0.17 -1.81 -0.69 0.00 0.00 178.15 176.13 1v5m s ASP 114 N -3.28 -0.01 0.26 1.72 1.01 -1.26 -4.97 116.67 110.14 1v5m s ASP 114 Ca -0.05 -0.97 0.16 0.00 0.71 0.00 0.00 52.55 52.39 1v5m s ASP 114 Cb 0.02 0.76 0.91 0.00 1.01 0.00 0.00 42.92 45.63 1v5m s ASP 114 CO 0.21 -1.48 1.03 -1.54 0.21 0.00 0.00 175.17 173.60 1v5m n SER 115 N -0.97 0.20 0.12 0.27 3.41 -1.26 0.05 113.62 115.44 1v5m n SER 115 Ca -0.05 1.04 -0.06 0.00 -0.26 0.00 0.00 58.87 59.54 1v5m n SER 115 Cb 0.60 -0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 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 -0.44 -0.50 1.04 4.07 -1.95 0.17 115.31 117.70 1v5m h LEU 116 Ca 0.56 0.03 0.05 0.00 0.08 0.00 0.00 57.88 58.60 1v5m h LEU 116 Cb 1.58 0.14 -0.05 0.00 1.08 0.00 0.00 40.66 43.41 1v5m h LEU 116 CO -0.45 -0.24 0.23 1.56 -1.08 0.00 0.00 178.44 178.46 1v5m h GLN 117 N -0.37 0.44 0.06 1.13 1.08 -0.77 -1.63 115.11 115.05 1v5m h GLN 117 Ca -0.03 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1v5m h GLN 117 Cb 0.31 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 1v5m h GLN 117 CO 0.01 0.29 -0.09 -0.22 -0.95 0.00 0.00 178.83 177.87 1v5m h LYS 118 N 0.45 -0.15 -0.95 1.46 3.64 -1.05 -1.23 116.57 118.73 1v5m h LYS 118 Ca 0.22 0.01 0.28 0.00 -1.27 0.00 0.00 60.65 59.89 1v5m h LYS 118 Cb 0.16 0.03 -0.14 0.00 -0.41 0.00 0.00 32.23 31.87 1v5m h LYS 118 CO -0.18 -0.10 0.44 1.25 -2.27 0.00 0.00 179.45 178.60 1v5m h HIS 119 N -0.16 0.72 -0.47 1.91 2.76 -0.61 0.28 115.15 119.58 1v5m h HIS 119 Ca -0.01 0.04 0.05 0.00 -2.20 0.00 0.00 60.37 58.26 1v5m h HIS 119 Cb 0.14 -0.16 -0.05 0.00 1.55 0.00 0.00 27.41 28.89 1v5m h HIS 119 CO -0.19 -0.16 0.20 1.03 -1.30 0.00 0.00 177.93 177.51 1v5m h SER 120 N 0.31 0.25 0.64 3.26 0.87 -0.79 -2.88 113.55 115.20 1v5m h SER 120 Ca 0.65 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 61.22 1v5m h SER 120 Cb 1.40 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.37 1v5m h SER 120 CO -0.61 0.18 -0.31 -0.50 -0.53 0.00 0.00 176.83 175.06 1v5m h TRP 121 N 0.40 -0.79 -0.82 2.24 4.06 0.71 -2.51 115.95 119.23 1v5m h TRP 121 Ca 0.21 -0.02 0.33 0.00 2.06 0.00 0.00 58.89 61.47 1v5m h TRP 121 Cb 0.17 0.26 -0.15 0.00 -1.00 0.00 0.00 29.16 28.45 1v5m h TRP 121 CO -0.13 -0.45 0.37 0.28 -3.56 0.00 0.00 178.44 174.95 1v5m n VAL 122 N -5.40 -0.34 -0.03 1.49 0.31 -0.68 0.99 118.33 114.67 1v5m n VAL 122 Ca -0.12 1.69 -0.13 0.00 -0.01 0.00 0.00 64.34 65.76 1v5m n VAL 122 Cb 0.36 -2.69 -0.11 0.00 -0.91 0.00 0.00 33.84 30.49 1v5m n VAL 122 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1v5m h ALA 123 N 1.64 0.01 -0.98 3.52 0.00 -1.34 0.37 119.26 122.48 1v5m h ALA 123 Ca 0.66 -0.31 0.21 0.00 0.00 0.00 0.00 54.91 55.47 1v5m h ALA 123 Cb 1.71 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 19.39 1v5m h ALA 123 CO -0.65 -0.17 0.57 -0.44 0.00 0.00 0.00 179.25 178.55 1v5m h ASP 124 N -0.58 0.68 0.00 0.00 5.19 0.11 0.72 116.42 122.54 1v5m h ASP 124 Ca -0.00 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1v5m h ASP 124 Cb 0.63 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.14 1v5m h ASP 124 CO 0.00 0.18 -0.03 0.40 -3.12 0.00 0.00 179.24 176.68 1v5m h ILE 125 N 0.65 0.00 -0.92 0.35 2.04 -1.17 -3.10 117.51 115.36 1v5m h ILE 125 Ca 0.59 -0.54 0.27 0.00 1.00 0.00 0.00 64.86 66.18 1v5m h ILE 125 Cb 1.01 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 1v5m h ILE 125 CO -0.43 0.00 0.78 1.56 0.00 0.00 0.00 178.15 180.06 1v5m h GLN 126 N -0.54 0.00 0.00 2.37 4.20 -0.81 0.81 115.11 121.14 1v5m h GLN 126 Ca 0.00 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.54 1v5m h GLN 126 Cb 0.03 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1v5m h GLN 126 CO 0.00 0.00 -0.82 0.78 -0.67 0.00 0.00 178.83 178.12 1v5m h GLY 127 N 0.00 0.00 0.08 3.46 0.00 0.34 -3.35 103.07 103.60 1v5m h GLY 127 Ca 0.44 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.53 1v5m h GLY 127 CO -0.00 0.00 -1.29 0.00 0.00 0.00 0.00 176.54 175.24 1v5m n VAL 129 N -4.33 -0.18 -3.47 0.00 3.14 0.86 -4.63 118.33 109.73 1v5m n VAL 129 Ca -0.31 1.37 -0.04 0.00 -2.96 0.00 0.00 64.34 62.40 1v5m n VAL 129 Cb 0.72 -2.25 0.01 0.00 -1.06 0.00 0.00 33.84 31.26 1v5m n VAL 129 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1v5m n ASP 130 N -4.17 -1.10 -4.53 6.55 5.68 -1.26 -4.96 116.55 112.77 1v5m n ASP 130 Ca 0.32 -1.72 -0.31 0.00 -0.50 0.00 0.00 54.79 52.57 1v5m n ASP 130 Cb 1.25 1.82 -0.10 0.00 -1.14 0.00 0.00 41.12 42.95 1v5m n ASP 130 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1v5m n SER 131 N -1.19 1.03 -3.84 -1.12 2.88 -1.26 -4.66 113.62 105.46 1v5m n SER 131 Ca -0.04 -0.48 -0.12 0.00 -1.33 0.00 0.00 58.87 56.91 1v5m n SER 131 Cb 0.30 -1.24 -0.11 0.00 -0.75 0.00 0.00 64.21 62.42 1v5m n SER 131 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1v5m s GLY 132 N 9.18 -0.03 -0.85 0.46 0.00 -1.13 -5.02 107.32 109.93 1v5m s GLY 132 Ca 1.14 0.13 -0.25 0.00 0.00 0.00 0.00 44.72 45.74 1v5m s GLY 132 CO 0.35 0.01 1.93 2.56 0.00 0.00 0.00 173.10 177.95 1v5m s PRO 133 N -0.84 2.57 -1.01 2.90 0.04 -1.26 -4.75 135.00 132.65 1v5m s PRO 133 Ca -0.09 -0.13 -0.10 0.00 0.04 0.00 0.00 61.00 60.72 1v5m s PRO 133 Cb -0.05 -4.94 0.26 0.00 0.04 0.00 0.00 34.50 29.80 1v5m s PRO 133 CO 0.01 -3.26 0.98 -1.12 0.04 0.00 0.00 177.00 173.65 1v5m s SER 134 N 8.03 7.02 -0.29 6.66 0.01 -1.26 -4.92 113.70 128.95 1v5m s SER 134 Ca 0.69 -3.36 -0.18 0.00 1.31 0.00 0.00 55.95 54.42 1v5m s SER 134 Cb -0.08 -2.18 0.16 0.00 0.21 0.00 0.00 66.02 64.14 1v5m s SER 134 CO 0.03 -0.35 1.10 -0.94 0.41 0.00 0.00 173.24 173.48 1v5m s SER 135 N 1.40 -0.34 0.00 2.44 1.04 -1.26 -5.08 113.70 111.90 1v5m s SER 135 Ca 0.27 0.57 0.00 0.00 0.48 0.00 0.00 55.95 57.27 1v5m s SER 135 Cb -0.10 1.02 0.00 0.00 0.10 0.00 0.00 66.02 67.04 1v5m s SER 135 CO -0.09 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.65