#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f1g s GLN 2 N 0.00 1.22 0.17 5.55 -0.21 -1.26 -0.84 119.66 124.29 1f1g s GLN 2 Ca 0.00 -1.08 -0.03 0.00 0.02 0.00 0.00 55.36 54.27 1f1g s GLN 2 Cb 0.00 -1.44 -0.03 0.00 1.00 0.00 0.00 33.01 32.54 1f1g s GLN 2 CO 0.00 0.35 0.14 0.00 -2.12 0.00 0.00 175.29 173.66 1f1g s ALA 3 N -1.03 0.82 -0.09 6.09 0.00 -0.23 -1.16 121.76 126.16 1f1g s ALA 3 Ca 0.07 -1.46 -0.19 0.00 0.00 0.00 0.00 51.96 50.37 1f1g s ALA 3 Cb -0.10 1.10 0.04 0.00 0.00 0.00 0.00 23.12 24.17 1f1g s ALA 3 CO 0.03 -0.58 0.47 0.54 0.00 0.00 0.00 175.76 176.22 1f1g s VAL 4 N -4.08 0.02 -0.07 0.00 0.11 0.49 -0.98 120.40 115.88 1f1g s VAL 4 Ca 0.29 -0.18 0.03 0.00 -2.93 0.00 0.00 61.98 59.20 1f1g s VAL 4 Cb 0.06 -0.73 0.01 0.00 -1.53 0.00 0.00 36.38 34.19 1f1g s VAL 4 CO 0.06 -0.10 -0.16 0.00 -3.33 0.00 0.00 175.10 171.57 1f1g s ALA 5 N -0.68 1.54 -0.35 1.54 0.00 0.22 -0.82 121.76 123.21 1f1g s ALA 5 Ca -0.08 -0.60 -0.12 0.00 0.00 0.00 0.00 51.96 51.16 1f1g s ALA 5 Cb -0.03 -0.62 -0.00 0.00 0.00 0.00 0.00 23.12 22.47 1f1g s ALA 5 CO 0.04 0.19 0.22 0.08 0.00 0.00 0.00 175.76 176.29 1f1g s VAL 6 N 0.47 4.99 -0.14 0.00 1.01 -1.26 -0.50 120.40 124.97 1f1g s VAL 6 Ca -0.14 -0.44 -0.26 0.00 0.00 0.00 0.00 61.98 61.14 1f1g s VAL 6 Cb -0.16 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 1f1g s VAL 6 CO 0.05 -0.07 0.84 -0.76 0.00 0.00 0.00 175.10 175.15 1f1g s LEU 7 N 1.66 4.21 0.07 3.92 1.43 0.45 -3.99 118.68 126.42 1f1g s LEU 7 Ca 0.05 1.23 0.01 0.00 -1.03 0.00 0.00 54.13 54.39 1f1g s LEU 7 Cb -0.18 -3.26 -0.04 0.00 0.03 0.00 0.00 46.19 42.74 1f1g s LEU 7 CO 0.09 -0.36 -0.05 -0.54 0.23 0.00 0.00 176.35 175.72 1f1g s LYS 8 N 1.91 0.67 -0.00 1.70 1.02 -0.49 -1.32 119.74 123.23 1f1g s LYS 8 Ca 0.40 -1.16 -0.08 0.00 0.02 0.00 0.00 55.97 55.14 1f1g s LYS 8 Cb -0.17 -0.03 0.03 0.00 -0.52 0.00 0.00 37.83 37.14 1f1g s LYS 8 CO 0.14 -0.05 0.38 0.41 -0.92 0.00 0.00 175.35 175.32 1f1g n GLY 9 N 0.33 0.54 0.94 -3.33 0.00 -1.25 -1.86 105.19 100.56 1f1g n GLY 9 Ca -0.15 -0.90 0.09 0.00 0.00 0.00 0.00 46.02 45.06 1f1g n GLY 9 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1f1g n ASP 10 N -0.45 3.24 -1.08 1.61 8.00 -1.26 -4.55 116.55 122.06 1f1g n ASP 10 Ca 0.01 -1.94 0.09 0.00 0.71 0.00 0.00 54.79 53.66 1f1g n ASP 10 Cb 0.17 -0.28 0.26 0.00 -0.02 0.00 0.00 41.12 41.25 1f1g n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f1g n ALA 11 N 1.08 2.36 -0.34 2.24 0.00 -1.26 -4.94 120.51 119.65 1f1g n ALA 11 Ca 0.17 -1.29 0.00 0.00 0.00 0.00 0.00 53.44 52.32 1f1g n ALA 11 Cb 0.51 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.23 1f1g n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f1g n GLY 12 N 1.11 1.28 3.80 0.00 0.00 -1.26 -5.03 105.19 105.09 1f1g n GLY 12 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 1f1g n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f1g s VAL 13 N -2.96 5.32 0.17 1.61 1.01 -1.26 -4.19 120.40 120.10 1f1g s VAL 13 Ca 0.00 0.46 -0.19 0.00 0.00 0.00 0.00 61.98 62.25 1f1g s VAL 13 Cb 0.00 -3.55 0.04 0.00 0.00 0.00 0.00 36.38 32.87 1f1g s VAL 13 CO 0.00 0.51 0.52 -0.94 0.00 0.00 0.00 175.10 175.19 1f1g s SER 14 N -0.37 -0.35 0.00 3.32 1.04 -0.73 -3.82 113.70 112.79 1f1g s SER 14 Ca 0.16 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.32 1f1g s SER 14 Cb -0.13 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1f1g s SER 14 CO 0.05 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.91 1f1g n GLY 15 N -0.32 -1.28 2.82 7.32 0.00 -0.43 -0.36 105.19 112.94 1f1g n GLY 15 Ca -0.14 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.84 1f1g n GLY 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f1g s VAL 16 N -2.93 -0.04 -0.13 1.61 1.01 0.03 -0.41 120.40 119.53 1f1g s VAL 16 Ca 0.00 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.16 1f1g s VAL 16 Cb 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 36.38 36.30 1f1g s VAL 16 CO 0.00 0.07 -0.19 -0.69 0.00 0.00 0.00 175.10 174.28 1f1g s VAL 17 N 0.84 1.86 0.03 2.92 1.01 0.34 -1.60 120.40 125.79 1f1g s VAL 17 Ca -0.07 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.09 1f1g s VAL 17 Cb -0.10 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1f1g s VAL 17 CO -0.03 0.51 -0.07 -0.54 0.00 0.00 0.00 175.10 174.98 1f1g s LYS 18 N 0.92 2.49 -0.02 2.72 1.02 0.65 -0.61 119.74 126.92 1f1g s LYS 18 Ca -0.06 -0.77 0.04 0.00 0.02 0.00 0.00 55.97 55.20 1f1g s LYS 18 Cb -0.15 -2.48 -0.01 0.00 -0.52 0.00 0.00 37.83 34.67 1f1g s LYS 18 CO -0.03 0.58 -0.14 -0.06 -0.92 0.00 0.00 175.35 174.78 1f1g s PHE 19 N -1.06 1.37 -0.05 3.18 0.40 -0.15 -0.87 117.98 120.80 1f1g s PHE 19 Ca 0.18 -0.31 -0.04 0.00 -0.60 0.00 0.00 56.93 56.17 1f1g s PHE 19 Cb -0.11 -0.90 0.02 0.00 0.51 0.00 0.00 43.02 42.53 1f1g s PHE 19 CO 0.09 -0.07 0.12 -2.00 0.70 0.00 0.00 175.22 174.06 1f1g s GLU 20 N -0.16 0.12 -0.11 0.44 2.12 -0.26 -1.06 118.70 119.78 1f1g s GLU 20 Ca 0.02 0.21 -0.05 0.00 0.36 0.00 0.00 54.97 55.51 1f1g s GLU 20 Cb -0.08 -0.01 0.05 0.00 0.26 0.00 0.00 34.13 34.36 1f1g s GLU 20 CO 0.00 -0.06 0.23 -1.14 -0.54 0.00 0.00 175.26 173.76 1f1g s GLN 21 N 0.36 0.15 0.01 4.30 0.74 -0.02 -0.19 119.66 125.01 1f1g s GLN 21 Ca -0.03 0.60 -0.19 0.00 0.05 0.00 0.00 55.36 55.79 1f1g s GLN 21 Cb -0.04 -0.12 -0.25 0.00 1.10 0.00 0.00 33.01 33.71 1f1g s GLN 21 CO -0.01 -0.23 1.08 0.00 -0.55 0.00 0.00 175.29 175.58 1f1g h ALA 22 N 7.76 0.06 -2.68 1.58 0.00 -1.83 0.32 119.26 124.46 1f1g h ALA 22 Ca -0.28 -0.61 -0.07 0.00 0.00 0.00 0.00 54.91 53.96 1f1g h ALA 22 Cb 1.13 0.05 -0.13 0.00 0.00 0.00 0.00 17.79 18.85 1f1g h ALA 22 CO 0.26 0.40 -0.21 -1.54 0.00 0.00 0.00 179.25 178.16 1f1g s SER 23 N -6.86 -0.06 0.34 0.00 1.04 -1.26 -4.47 113.70 102.43 1f1g s SER 23 Ca -0.13 -0.62 0.06 0.00 0.48 0.00 0.00 55.95 55.75 1f1g s SER 23 Cb 0.04 0.45 0.73 0.00 0.10 0.00 0.00 66.02 67.33 1f1g s SER 23 CO 0.84 -0.87 1.90 -0.08 0.98 0.00 0.00 173.24 176.01 1f1g h GLU 24 N 2.49 0.77 -0.00 4.02 4.81 -1.91 -1.60 114.58 123.15 1f1g h GLU 24 Ca -0.32 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1f1g h GLU 24 Cb 1.23 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1f1g h GLU 24 CO 0.48 0.51 -0.14 -1.13 -0.73 0.00 0.00 179.01 178.00 1f1g n SER 25 N -4.52 0.29 -4.90 1.04 3.41 -1.26 -4.89 113.62 102.79 1f1g n SER 25 Ca 0.15 -0.17 -0.28 0.00 -0.26 0.00 0.00 58.87 58.30 1f1g n SER 25 Cb 0.34 -0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 64.11 1f1g n SER 25 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1f1g s GLU 26 N -2.72 3.63 0.64 4.33 0.41 -0.61 -5.04 118.70 119.34 1f1g s GLU 26 Ca 0.22 0.12 -0.18 0.00 -0.41 0.00 0.00 54.97 54.72 1f1g s GLU 26 Cb 0.19 -2.52 -0.01 0.00 -1.78 0.00 0.00 34.13 30.02 1f1g s GLU 26 CO 0.53 0.04 1.24 -2.14 -0.49 0.00 0.00 175.26 174.44 1f1g s PRO 27 N -4.03 2.64 -0.07 0.39 0.02 -1.26 -4.81 135.00 127.88 1f1g s PRO 27 Ca 0.46 1.91 -0.18 0.00 0.02 0.00 0.00 61.00 63.21 1f1g s PRO 27 Cb -0.10 -1.88 -0.05 0.00 0.02 0.00 0.00 34.50 32.49 1f1g s PRO 27 CO 0.35 -1.49 0.49 0.99 -0.33 0.00 0.00 177.00 177.01 1f1g s THR 28 N -1.59 5.09 -0.22 0.99 2.01 0.06 -4.55 115.64 117.43 1f1g s THR 28 Ca 0.79 1.00 -0.18 0.00 0.31 0.00 0.00 61.69 63.61 1f1g s THR 28 Cb -0.33 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.33 1f1g s THR 28 CO 0.38 0.40 0.51 -0.89 -0.69 0.00 0.00 174.62 174.33 1f1g s THR 29 N 0.09 5.10 -0.18 -0.82 2.01 0.73 -0.85 115.64 121.71 1f1g s THR 29 Ca 0.27 0.92 -0.04 0.00 0.31 0.00 0.00 61.69 63.15 1f1g s THR 29 Cb -0.16 -3.83 -0.02 0.00 0.01 0.00 0.00 72.50 68.49 1f1g s THR 29 CO 0.13 0.15 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.48 1f1g s VAL 30 N 1.85 3.69 0.06 3.82 1.01 0.35 -1.10 120.40 130.08 1f1g s VAL 30 Ca 0.23 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.84 1f1g s VAL 30 Cb -0.15 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 1f1g s VAL 30 CO 0.09 0.46 -0.12 -0.94 0.00 0.00 0.00 175.10 174.59 1f1g s SER 31 N 0.81 1.37 0.02 3.32 1.04 -0.05 -0.96 113.70 119.25 1f1g s SER 31 Ca -0.01 -0.58 -0.10 0.00 0.48 0.00 0.00 55.95 55.74 1f1g s SER 31 Cb -0.15 -0.02 0.01 0.00 0.10 0.00 0.00 66.02 65.96 1f1g s SER 31 CO 0.02 -0.12 0.19 -0.72 0.98 0.00 0.00 173.24 173.59 1f1g s TYR 32 N -1.29 0.01 -0.06 5.02 -0.85 -0.06 -0.25 117.35 119.86 1f1g s TYR 32 Ca -0.05 -0.14 -0.01 0.00 -0.52 0.00 0.00 57.07 56.35 1f1g s TYR 32 Cb -0.10 -0.02 0.03 0.00 0.38 0.00 0.00 41.96 42.25 1f1g s TYR 32 CO 0.02 -0.38 0.01 -1.21 -1.52 0.00 0.00 175.55 172.47 1f1g s GLU 33 N -1.98 0.51 -0.04 -3.49 2.02 -0.63 -1.77 118.70 113.31 1f1g s GLU 33 Ca -0.10 0.13 0.00 0.00 0.02 0.00 0.00 54.97 55.03 1f1g s GLU 33 Cb -0.04 -0.88 0.03 0.00 0.10 0.00 0.00 34.13 33.33 1f1g s GLU 33 CO -0.01 -0.29 -0.01 0.42 0.02 0.00 0.00 175.26 175.39 1f1g s ILE 34 N 1.91 0.34 0.20 -1.63 1.01 0.80 -0.79 121.20 123.03 1f1g s ILE 34 Ca 0.04 0.04 0.07 0.00 0.00 0.00 0.00 60.65 60.79 1f1g s ILE 34 Cb -0.12 -0.43 -0.04 0.00 0.01 0.00 0.00 42.46 41.88 1f1g s ILE 34 CO -0.05 0.20 0.09 0.00 0.00 0.00 0.00 174.94 175.18 1f1g s ALA 35 N 1.26 3.41 0.00 9.38 0.00 0.51 -0.52 121.76 135.79 1f1g s ALA 35 Ca -0.06 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.53 1f1g s ALA 35 Cb -0.13 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.83 1f1g s ALA 35 CO -0.02 0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.56 1f1g n GLY 36 N -0.54 0.75 3.83 0.00 0.00 -1.15 -1.77 105.19 106.31 1f1g n GLY 36 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 1f1g n GLY 36 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f1g s ASN 37 N -2.23 4.34 0.45 1.61 0.01 -0.74 -4.37 114.94 114.02 1f1g s ASN 37 Ca 0.00 1.07 -0.24 0.00 -0.71 0.00 0.00 52.86 52.98 1f1g s ASN 37 Cb 0.00 -1.72 -0.09 0.00 0.41 0.00 0.00 41.25 39.85 1f1g s ASN 37 CO 0.00 -2.04 1.21 -1.20 -1.51 0.00 0.00 177.10 173.56 1f1g n SER 38 N -3.44 2.19 -4.85 -1.22 7.64 -1.26 -4.32 113.62 108.35 1f1g n SER 38 Ca 0.07 1.05 -0.32 0.00 1.01 0.00 0.00 58.87 60.69 1f1g n SER 38 Cb 0.58 -1.47 -0.01 0.00 -1.01 0.00 0.00 64.21 62.29 1f1g n SER 38 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1f1g s PRO 39 N -2.31 3.78 -1.40 1.43 0.04 -1.26 -4.24 135.00 131.03 1f1g s PRO 39 Ca 0.64 0.88 -0.05 0.00 0.04 0.00 0.00 61.00 62.51 1f1g s PRO 39 Cb -0.50 -2.11 0.03 0.00 0.04 0.00 0.00 34.50 31.97 1f1g s PRO 39 CO 0.56 -0.42 0.74 0.09 0.04 0.00 0.00 177.00 178.01 1f1g n ASN 40 N -2.08 -2.15 -2.82 6.66 3.02 -0.37 -4.95 115.26 112.58 1f1g n ASN 40 Ca 0.06 -0.85 -0.16 0.00 -0.03 0.00 0.00 54.58 53.61 1f1g n ASN 40 Cb 0.54 -3.80 -0.06 0.00 -0.61 0.00 0.00 39.78 35.85 1f1g n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f1g n ALA 41 N -4.42 0.50 -3.32 5.41 0.00 -1.17 -4.94 120.51 112.57 1f1g n ALA 41 Ca -0.19 -1.46 -0.25 0.00 0.00 0.00 0.00 53.44 51.54 1f1g n ALA 41 Cb 0.63 1.12 -0.16 0.00 0.00 0.00 0.00 19.45 21.03 1f1g n ALA 41 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1f1g s GLU 42 N -3.04 1.73 -0.06 0.00 2.02 -1.26 -0.65 118.70 117.45 1f1g s GLU 42 Ca 0.25 -0.46 0.03 0.00 0.02 0.00 0.00 54.97 54.80 1f1g s GLU 42 Cb 0.01 -1.44 0.01 0.00 0.10 0.00 0.00 34.13 32.81 1f1g s GLU 42 CO 0.18 0.08 -0.12 1.03 0.02 0.00 0.00 175.26 176.44 1f1g s ARG 43 N 0.51 1.58 0.45 1.61 1.81 -0.39 -3.31 118.95 121.22 1f1g s ARG 43 Ca -0.12 -0.42 -0.24 0.00 -1.72 0.00 0.00 55.73 53.22 1f1g s ARG 43 Cb -0.15 -1.34 -0.08 0.00 -0.45 0.00 0.00 34.95 32.94 1f1g s ARG 43 CO 0.04 0.07 1.32 0.20 -0.68 0.00 0.00 175.30 176.25 1f1g s GLY 44 N 0.49 2.89 -0.17 -3.53 0.00 -0.17 -0.64 107.32 106.19 1f1g s GLY 44 Ca -0.11 1.26 -0.04 0.00 0.00 0.00 0.00 44.72 45.83 1f1g s GLY 44 CO 0.03 1.82 0.23 -0.12 0.00 0.00 0.00 173.10 175.06 1f1g s PHE 45 N -1.30 -0.33 0.07 1.90 5.36 -0.22 -0.86 117.98 122.59 1f1g s PHE 45 Ca 0.62 0.51 -0.08 0.00 -0.96 0.00 0.00 56.93 57.02 1f1g s PHE 45 Cb -0.38 -0.24 -0.01 0.00 -0.34 0.00 0.00 43.02 42.05 1f1g s PHE 45 CO 0.48 -0.50 0.16 -1.01 -1.46 0.00 0.00 175.22 172.89 1f1g s HIS 46 N 2.36 0.17 -0.15 10.12 3.76 -0.81 -1.69 115.29 129.06 1f1g s HIS 46 Ca 0.05 -0.57 -0.23 0.00 -0.15 0.00 0.00 55.06 54.17 1f1g s HIS 46 Cb -0.14 -0.09 -0.03 0.00 1.11 0.00 0.00 32.58 33.43 1f1g s HIS 46 CO -0.10 -0.49 0.71 0.42 -0.85 0.00 0.00 174.74 174.42 1f1g s ILE 47 N -3.52 4.99 0.27 0.60 1.01 0.49 -1.06 121.20 123.98 1f1g s ILE 47 Ca 0.02 1.39 0.06 0.00 0.00 0.00 0.00 60.65 62.12 1f1g s ILE 47 Cb 0.04 -4.03 -0.03 0.00 0.01 0.00 0.00 42.46 38.45 1f1g s ILE 47 CO -0.09 0.13 0.31 -1.00 0.00 0.00 0.00 174.94 174.29 1f1g s HIS 48 N 1.62 3.20 0.20 3.97 3.76 0.48 -0.92 115.29 127.60 1f1g s HIS 48 Ca 0.34 -0.12 -0.09 0.00 -0.15 0.00 0.00 55.06 55.03 1f1g s HIS 48 Cb -0.17 -1.60 0.13 0.00 1.11 0.00 0.00 32.58 32.05 1f1g s HIS 48 CO 0.13 0.37 1.77 1.49 -0.85 0.00 0.00 174.74 177.65 1f1g h GLU 49 N 1.26 1.07 -6.31 1.40 4.81 -0.72 -2.79 114.58 113.29 1f1g h GLU 49 Ca -0.49 -0.18 -0.69 0.00 -0.13 0.00 0.00 59.36 57.87 1f1g h GLU 49 Cb 1.24 -0.18 -0.22 0.00 0.63 0.00 0.00 28.75 30.22 1f1g h GLU 49 CO 0.59 0.86 -0.75 -0.06 -0.73 0.00 0.00 179.01 178.92 1f1g s PHE 50 N -5.61 2.75 -0.37 0.92 0.08 -0.41 -4.67 117.98 110.66 1f1g s PHE 50 Ca -0.13 -0.12 -0.04 0.00 0.12 0.00 0.00 56.93 56.77 1f1g s PHE 50 Cb 0.15 -1.63 0.04 0.00 -0.57 0.00 0.00 43.02 41.01 1f1g s PHE 50 CO 0.82 0.23 2.76 0.41 -0.10 0.00 0.00 175.22 179.34 1f1g n GLY 51 N 2.17 4.12 3.17 4.36 0.00 -0.92 -3.57 105.19 114.52 1f1g n GLY 51 Ca -0.17 -1.66 -0.34 0.00 0.00 0.00 0.00 46.02 43.85 1f1g n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1f1g s ASP 52 N 0.55 4.66 -0.21 1.61 -1.08 -1.26 -4.94 116.67 116.00 1f1g s ASP 52 Ca 0.55 -1.15 0.15 0.00 -0.52 0.00 0.00 52.55 51.58 1f1g s ASP 52 Cb 0.35 -1.68 0.68 0.00 -1.46 0.00 0.00 42.92 40.81 1f1g s ASP 52 CO -0.16 -0.21 1.60 0.00 0.52 0.00 0.00 175.17 176.92 1f1g n ALA 53 N 4.62 3.46 0.37 3.66 0.00 -1.26 -3.10 120.51 128.26 1f1g n ALA 53 Ca -0.14 -2.11 0.14 0.00 0.00 0.00 0.00 53.44 51.33 1f1g n ALA 53 Cb 0.44 -0.93 0.50 0.00 0.00 0.00 0.00 19.45 19.47 1f1g n ALA 53 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1f1g h THR 54 N 2.95 0.00 -2.29 0.00 1.35 -1.93 -3.35 112.91 109.65 1f1g h THR 54 Ca 0.00 -0.47 -0.58 0.00 -0.55 0.00 0.00 66.41 64.81 1f1g h THR 54 Cb 1.73 1.37 -0.39 0.00 -1.73 0.00 0.00 68.15 69.12 1f1g h THR 54 CO 0.36 0.00 -0.97 -3.20 -0.25 0.00 0.00 175.52 171.46 1f1g n ASN 55 N -2.64 0.14 0.00 5.36 5.15 -1.26 -5.05 115.26 116.97 1f1g n ASN 55 Ca 0.02 -2.58 0.00 0.00 -0.60 0.00 0.00 54.58 51.43 1f1g n ASN 55 Cb 0.33 -0.60 0.00 0.00 -0.53 0.00 0.00 39.78 38.98 1f1g n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1f1g n GLY 56 N 2.24 3.24 0.89 8.20 0.00 -1.26 -1.01 105.19 117.49 1f1g n GLY 56 Ca 0.26 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.29 1f1g n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f1g h VAL 58 N 4.35 1.27 0.00 0.00 2.07 -1.43 -3.19 116.25 119.33 1f1g h VAL 58 Ca 0.00 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.44 1f1g h VAL 58 Cb 0.95 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1f1g h VAL 58 CO 0.00 0.36 0.00 -1.54 0.02 0.00 0.00 177.57 176.41 1f1g n SER 59 N -4.41 0.00 0.22 0.57 3.41 -1.06 -1.48 113.62 110.87 1f1g n SER 59 Ca -0.01 -0.43 0.15 0.00 -0.26 0.00 0.00 58.87 58.32 1f1g n SER 59 Cb 0.32 -0.14 0.72 0.00 -0.26 0.00 0.00 64.21 64.85 1f1g n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f1g h ALA 60 N 3.36 1.00 -0.27 7.33 0.00 -1.53 -3.38 119.26 125.78 1f1g h ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1f1g h ALA 60 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1f1g h ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1f1g n GLY 61 N -0.58 -1.52 3.94 0.00 0.00 -0.55 -1.29 105.19 105.20 1f1g n GLY 61 Ca -0.00 -1.29 -0.29 0.00 0.00 0.00 0.00 46.02 44.43 1f1g n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1f1g s PRO 62 N 0.00 0.56 0.36 1.61 0.04 -1.26 -4.63 135.00 131.67 1f1g s PRO 62 Ca 0.00 -0.58 -0.28 0.00 0.04 0.00 0.00 61.00 60.18 1f1g s PRO 62 Cb 0.00 -1.89 -0.12 0.00 0.04 0.00 0.00 34.50 32.53 1f1g s PRO 62 CO 0.00 -2.43 1.40 0.72 0.04 0.00 0.00 177.00 176.72 1f1g n HIS 63 N -3.73 2.65 -1.89 0.56 8.25 -1.26 -0.64 115.22 119.16 1f1g n HIS 63 Ca 0.16 0.49 -0.42 0.00 -0.26 0.00 0.00 57.72 57.69 1f1g n HIS 63 Cb 0.59 -2.48 -0.03 0.00 1.12 0.00 0.00 29.99 29.20 1f1g n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1f1g s PHE 64 N -1.08 1.73 -0.40 4.41 5.36 -0.10 -4.50 117.98 123.40 1f1g s PHE 64 Ca 0.55 0.04 0.10 0.00 -0.96 0.00 0.00 56.93 56.65 1f1g s PHE 64 Cb -0.52 -4.03 0.34 0.00 -0.34 0.00 0.00 43.02 38.47 1f1g s PHE 64 CO 0.63 -4.33 0.87 -1.71 -1.46 0.00 0.00 175.22 169.23 1f1g n ASN 65 N 7.62 -0.27 0.27 6.13 5.15 -1.26 -1.41 115.26 131.49 1f1g n ASN 65 Ca 0.19 -3.24 0.13 0.00 -0.60 0.00 0.00 54.58 51.06 1f1g n ASN 65 Cb 0.43 0.27 0.76 0.00 -0.53 0.00 0.00 39.78 40.70 1f1g n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1f1g h PRO 66 N 2.99 0.00 -0.20 1.20 0.13 -1.98 -2.14 132.00 132.00 1f1g h PRO 66 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1f1g h PRO 66 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1f1g h PRO 66 CO 0.37 0.09 0.00 1.19 -0.23 0.00 0.00 178.00 179.42 1f1g n PHE 67 N -3.78 0.25 -3.49 1.56 3.72 -1.26 -4.96 117.46 109.50 1f1g n PHE 67 Ca -0.02 -0.12 -0.18 0.00 -0.05 0.00 0.00 57.45 57.07 1f1g n PHE 67 Cb 0.19 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.81 1f1g n PHE 67 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1f1g n LYS 68 N 0.74 -5.89 -3.37 -1.08 5.02 -0.81 -5.01 118.16 107.76 1f1g n LYS 68 Ca 0.17 0.79 -0.19 0.00 -2.02 0.00 0.00 58.31 57.06 1f1g n LYS 68 Cb 0.44 -5.67 -0.01 0.00 -0.02 0.00 0.00 35.03 29.77 1f1g n LYS 68 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1f1g s LYS 69 N -5.48 2.74 0.62 1.97 1.02 -1.26 -5.12 119.74 114.23 1f1g s LYS 69 Ca 0.03 -1.33 -0.10 0.00 0.02 0.00 0.00 55.97 54.59 1f1g s LYS 69 Cb -0.00 -2.59 -0.02 0.00 -0.52 0.00 0.00 37.83 34.70 1f1g s LYS 69 CO 0.75 -0.16 0.99 0.95 -0.92 0.00 0.00 175.35 176.97 1f1g s THR 70 N -2.37 4.24 0.28 2.17 -4.23 -1.26 -4.69 115.64 109.78 1f1g s THR 70 Ca 0.50 0.54 -0.30 0.00 -1.18 0.00 0.00 61.69 61.25 1f1g s THR 70 Cb -0.07 -3.70 -0.10 0.00 1.34 0.00 0.00 72.50 69.97 1f1g s THR 70 CO 0.30 -0.86 1.45 -2.28 -0.54 0.00 0.00 174.62 172.69 1f1g s HIS 71 N -3.14 2.94 0.05 3.99 2.46 -0.15 -2.93 115.29 118.51 1f1g s HIS 71 Ca 0.55 1.07 -0.01 0.00 0.47 0.00 0.00 55.06 57.14 1f1g s HIS 71 Cb -0.11 -3.86 0.00 0.00 -0.13 0.00 0.00 32.58 28.49 1f1g s HIS 71 CO 0.51 -2.71 0.07 0.41 -2.47 0.00 0.00 174.74 170.55 1f1g n GLY 72 N 1.78 2.81 3.84 1.59 0.00 -1.26 -4.09 105.19 109.86 1f1g n GLY 72 Ca 0.05 -1.35 -0.32 0.00 0.00 0.00 0.00 46.02 44.40 1f1g n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f1g s ALA 73 N -1.63 3.09 0.41 4.61 0.00 -1.23 -4.74 121.76 122.28 1f1g s ALA 73 Ca 0.04 0.20 0.15 0.00 0.00 0.00 0.00 51.96 52.35 1f1g s ALA 73 Cb -0.00 -3.08 1.03 0.00 0.00 0.00 0.00 23.12 21.07 1f1g s ALA 73 CO 0.03 -0.10 1.89 -1.35 0.00 0.00 0.00 175.76 176.23 1f1g h PRO 74 N 1.26 0.44 -0.12 0.00 0.11 -1.90 -0.91 132.00 130.89 1f1g h PRO 74 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1f1g h PRO 74 Cb 1.18 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1f1g h PRO 74 CO 0.62 0.29 0.00 0.25 -0.21 0.00 0.00 178.00 178.95 1f1g n THR 75 N -4.50 0.14 -2.76 -1.15 -2.24 -1.26 -4.85 114.28 97.67 1f1g n THR 75 Ca 0.17 -0.31 -0.37 0.00 -2.27 0.00 0.00 64.05 61.27 1f1g n THR 75 Cb 0.58 0.37 -0.06 0.00 -2.10 0.00 0.00 70.33 69.12 1f1g n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1f1g s ASP 76 N -1.69 7.30 0.40 3.42 1.01 -0.35 -4.96 116.67 121.80 1f1g s ASP 76 Ca 0.34 1.86 0.21 0.00 0.71 0.00 0.00 52.55 55.67 1f1g s ASP 76 Cb 0.18 -2.58 0.39 0.00 1.01 0.00 0.00 42.92 41.92 1f1g s ASP 76 CO 0.28 -0.09 1.61 1.05 0.21 0.00 0.00 175.17 178.23 1f1g h GLU 77 N 3.15 0.00 -4.66 8.23 4.11 -1.88 -3.38 114.58 120.14 1f1g h GLU 77 Ca -0.47 0.00 -0.71 0.00 0.07 0.00 0.00 59.36 58.25 1f1g h GLU 77 Cb 1.19 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.24 1f1g h GLU 77 CO 0.65 0.18 -0.15 0.08 0.07 0.00 0.00 179.01 179.84 1f1g s VAL 78 N -3.21 5.06 0.21 -1.06 1.01 -1.26 -4.98 120.40 116.17 1f1g s VAL 78 Ca 0.05 -0.72 -0.21 0.00 0.00 0.00 0.00 61.98 61.10 1f1g s VAL 78 Cb 0.07 -4.19 0.04 0.00 0.00 0.00 0.00 36.38 32.30 1f1g s VAL 78 CO 0.68 -0.65 0.63 0.00 0.00 0.00 0.00 175.10 175.76 1f1g s ARG 79 N 2.13 1.49 0.43 2.72 1.70 -1.22 -4.21 118.95 121.99 1f1g s ARG 79 Ca 0.10 -0.74 -0.24 0.00 -0.47 0.00 0.00 55.73 54.38 1f1g s ARG 79 Cb -0.21 0.58 -0.08 0.00 -0.57 0.00 0.00 34.95 34.67 1f1g s ARG 79 CO 0.10 -0.66 1.13 -1.01 -1.08 0.00 0.00 175.30 173.77 1f1g s HIS 80 N -3.84 3.04 0.33 5.89 3.76 -1.15 -4.70 115.29 118.62 1f1g s HIS 80 Ca 0.06 1.58 0.08 0.00 -0.15 0.00 0.00 55.06 56.63 1f1g s HIS 80 Cb -0.03 -3.29 0.78 0.00 1.11 0.00 0.00 32.58 31.15 1f1g s HIS 80 CO -0.04 -1.17 1.81 0.28 -0.85 0.00 0.00 174.74 174.77 1f1g h VAL 81 N 2.06 0.74 -0.00 -0.90 2.07 -1.86 -1.97 116.25 116.39 1f1g h VAL 81 Ca -0.49 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1f1g h VAL 81 Cb 1.23 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1f1g h VAL 81 CO 0.61 0.13 0.00 0.61 0.02 0.00 0.00 177.57 178.95 1f1g n GLY 82 N -1.37 -0.99 3.63 2.17 0.00 -0.50 -4.47 105.19 103.66 1f1g n GLY 82 Ca 0.22 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1f1g n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1f1g s ASP 83 N -1.77 6.63 -0.12 1.61 1.01 -0.74 -0.38 116.67 122.90 1f1g s ASP 83 Ca 0.37 1.20 0.15 0.00 0.71 0.00 0.00 52.55 54.98 1f1g s ASP 83 Cb 0.17 -2.54 0.34 0.00 1.01 0.00 0.00 42.92 41.90 1f1g s ASP 83 CO 0.29 -1.12 1.24 0.23 0.21 0.00 0.00 175.17 176.02 1f1g n MET 84 N 7.39 2.27 0.00 8.23 2.81 -0.68 -4.32 117.12 132.82 1f1g n MET 84 Ca 0.15 -2.48 0.00 0.00 -1.81 0.00 0.00 57.70 53.56 1f1g n MET 84 Cb 0.47 -1.54 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 1f1g n MET 84 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1f1g n GLY 85 N -0.78 1.70 3.72 3.03 0.00 -1.21 -4.72 105.19 106.93 1f1g n GLY 85 Ca 0.15 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 1f1g n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f1g s ASN 86 N -4.00 5.27 -0.06 1.61 0.01 -1.26 -1.06 114.94 115.44 1f1g s ASN 86 Ca 0.00 -0.01 -0.03 0.00 -0.71 0.00 0.00 52.86 52.11 1f1g s ASN 86 Cb 0.00 -1.39 -0.04 0.00 0.41 0.00 0.00 41.25 40.24 1f1g s ASN 86 CO 0.00 0.24 0.09 0.68 -1.51 0.00 0.00 177.10 176.60 1f1g s VAL 87 N -1.19 4.90 0.08 1.60 -7.23 0.18 -4.84 120.40 113.90 1f1g s VAL 87 Ca 0.23 -0.16 -0.23 0.00 -1.81 0.00 0.00 61.98 60.01 1f1g s VAL 87 Cb -0.12 -3.17 -0.07 0.00 0.56 0.00 0.00 36.38 33.59 1f1g s VAL 87 CO 0.14 0.50 0.68 -0.54 -0.31 0.00 0.00 175.10 175.57 1f1g s LYS 88 N -1.32 4.40 0.01 4.82 1.02 -1.26 -1.26 119.74 126.15 1f1g s LYS 88 Ca 0.18 0.94 0.03 0.00 0.02 0.00 0.00 55.97 57.15 1f1g s LYS 88 Cb -0.12 -3.29 -0.03 0.00 -0.52 0.00 0.00 37.83 33.87 1f1g s LYS 88 CO 0.08 0.49 -0.06 0.95 -0.92 0.00 0.00 175.35 175.90 1f1g s THR 89 N -0.73 3.70 0.01 2.17 -4.23 0.18 -4.27 115.64 112.47 1f1g s THR 89 Ca 0.33 -0.78 -0.00 0.00 -1.18 0.00 0.00 61.69 60.06 1f1g s THR 89 Cb -0.21 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.01 1f1g s THR 89 CO 0.22 0.37 0.01 -0.90 -0.54 0.00 0.00 174.62 173.78 1f1g n ASP 90 N 1.48 0.01 0.18 3.99 5.68 -0.11 -2.47 116.55 125.31 1f1g n ASP 90 Ca -0.15 -1.01 0.13 0.00 -0.50 0.00 0.00 54.79 53.26 1f1g n ASP 90 Cb 0.53 -0.01 0.58 0.00 -1.14 0.00 0.00 41.12 41.08 1f1g n ASP 90 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1f1g h GLU 91 N 0.00 0.00 -0.32 0.11 9.09 -1.93 -0.68 114.58 120.85 1f1g h GLU 91 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1f1g h GLU 91 Cb 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.11 1f1g h GLU 91 CO 0.00 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.15 1f1g n ASN 92 N -2.46 3.35 0.00 3.06 5.03 -1.26 -4.78 115.26 118.19 1f1g n ASN 92 Ca 0.01 -1.98 0.00 0.00 0.87 0.00 0.00 54.58 53.48 1f1g n ASN 92 Cb 0.21 -0.20 0.00 0.00 -1.02 0.00 0.00 39.78 38.77 1f1g n ASN 92 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1f1g n GLY 93 N 1.43 0.64 3.80 7.41 0.00 -0.58 -4.65 105.19 113.23 1f1g n GLY 93 Ca 0.18 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 1f1g n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f1g s VAL 94 N -2.00 5.25 -0.18 1.61 1.01 -1.26 -1.80 120.40 123.04 1f1g s VAL 94 Ca 0.00 0.58 -0.03 0.00 0.00 0.00 0.00 61.98 62.53 1f1g s VAL 94 Cb 0.00 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 1f1g s VAL 94 CO 0.00 0.50 -0.05 0.00 0.00 0.00 0.00 175.10 175.54 1f1g s ALA 95 N -0.35 2.85 -0.05 5.51 0.00 0.32 -0.94 121.76 129.10 1f1g s ALA 95 Ca 0.19 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 51.14 1f1g s ALA 95 Cb -0.14 -1.56 0.03 0.00 0.00 0.00 0.00 23.12 21.45 1f1g s ALA 95 CO 0.07 -0.06 0.12 0.21 0.00 0.00 0.00 175.76 176.10 1f1g s LYS 96 N 0.85 0.07 0.00 0.00 2.20 -1.26 -0.14 119.74 121.45 1f1g s LYS 96 Ca -0.01 0.31 0.00 0.00 -0.36 0.00 0.00 55.97 55.91 1f1g s LYS 96 Cb -0.15 -0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.01 1f1g s LYS 96 CO 0.01 -0.15 0.00 0.41 -0.36 0.00 0.00 175.35 175.26 1f1g n GLY 97 N 4.08 -1.35 3.33 5.54 0.00 -0.73 -5.00 105.19 111.06 1f1g n GLY 97 Ca -0.25 -1.01 -0.14 0.00 0.00 0.00 0.00 46.02 44.62 1f1g n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f1g s SER 98 N -1.04 -0.33 0.20 1.61 1.04 -1.26 -0.89 113.70 113.04 1f1g s SER 98 Ca 0.00 0.17 -0.16 0.00 0.48 0.00 0.00 55.95 56.44 1f1g s SER 98 Cb 0.00 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.55 1f1g s SER 98 CO 0.00 -0.58 0.49 0.72 0.98 0.00 0.00 173.24 174.85 1f1g s PHE 99 N -1.84 0.02 -0.01 5.02 -0.12 -0.13 -4.99 117.98 115.92 1f1g s PHE 99 Ca -0.09 -0.37 0.00 0.00 -0.05 0.00 0.00 56.93 56.42 1f1g s PHE 99 Cb -0.02 0.32 -0.04 0.00 -0.63 0.00 0.00 43.02 42.65 1f1g s PHE 99 CO 0.02 -0.92 0.04 0.15 -0.05 0.00 0.00 175.22 174.47 1f1g s LYS 100 N -3.91 2.94 -0.02 1.99 1.02 -1.26 -0.49 119.74 120.00 1f1g s LYS 100 Ca 0.12 -0.53 -0.02 0.00 0.02 0.00 0.00 55.97 55.56 1f1g s LYS 100 Cb -0.01 -2.78 0.01 0.00 -0.52 0.00 0.00 37.83 34.54 1f1g s LYS 100 CO -0.00 0.64 0.06 0.34 -0.92 0.00 0.00 175.35 175.47 1f1g s ASP 101 N -1.60 -0.04 0.00 2.83 2.15 -0.03 -4.95 116.67 115.03 1f1g s ASP 101 Ca 0.21 0.12 0.22 0.00 0.43 0.00 0.00 52.55 53.52 1f1g s ASP 101 Cb -0.12 0.09 0.02 0.00 -0.30 0.00 0.00 42.92 42.61 1f1g s ASP 101 CO 0.11 -0.05 1.08 -1.20 -0.17 0.00 0.00 175.17 174.95 1f1g n SER 102 N 3.32 2.13 -0.04 -0.34 7.64 -1.26 -0.76 113.62 124.31 1f1g n SER 102 Ca -0.16 -1.56 -0.11 0.00 1.01 0.00 0.00 58.87 58.05 1f1g n SER 102 Cb 0.58 0.41 -0.14 0.00 -1.01 0.00 0.00 64.21 64.04 1f1g n SER 102 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1f1g n LEU 103 N 0.17 1.07 -4.70 -3.43 4.77 -1.26 -4.88 117.00 108.73 1f1g n LEU 103 Ca 0.10 0.27 -0.42 0.00 -0.03 0.00 0.00 56.01 55.92 1f1g n LEU 103 Cb 0.47 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 1f1g n LEU 103 CO 0.25 0.51 0.84 -0.63 -1.33 0.00 0.00 177.39 177.03 1f1g s ILE 104 N -2.57 4.39 0.05 -0.08 1.01 -1.26 -4.99 121.20 117.75 1f1g s ILE 104 Ca -0.10 1.71 0.02 0.00 0.00 0.00 0.00 60.65 62.28 1f1g s ILE 104 Cb 0.07 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 1f1g s ILE 104 CO 0.81 0.09 -0.07 -0.54 0.00 0.00 0.00 174.94 175.23 1f1g s LYS 105 N 1.43 0.54 0.00 2.79 1.02 -1.26 -3.98 119.74 120.28 1f1g s LYS 105 Ca 0.55 -0.84 0.15 0.00 0.02 0.00 0.00 55.97 55.85 1f1g s LYS 105 Cb -0.25 -0.19 0.27 0.00 -0.52 0.00 0.00 37.83 37.14 1f1g s LYS 105 CO 0.26 0.02 1.16 1.28 -0.92 0.00 0.00 175.35 177.15 1f1g n LEU 106 N 1.21 2.75 -3.90 3.17 4.77 -1.26 -0.85 117.00 122.88 1f1g n LEU 106 Ca -0.21 -1.49 -0.15 0.00 -0.03 0.00 0.00 56.01 54.13 1f1g n LEU 106 Cb 0.56 -0.15 -0.15 0.00 -2.33 0.00 0.00 43.42 41.35 1f1g n LEU 106 CO 0.22 0.61 -0.39 -0.63 -1.33 0.00 0.00 177.39 175.87 1f1g s ILE 107 N -1.14 0.26 0.00 -0.08 1.01 -1.26 -4.78 121.20 115.22 1f1g s ILE 107 Ca 0.25 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.80 1f1g s ILE 107 Cb 0.15 -0.26 0.00 0.00 0.01 0.00 0.00 42.46 42.36 1f1g s ILE 107 CO 0.20 0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.85 1f1g n GLY 108 N 3.27 -2.89 0.08 6.18 0.00 -1.26 -4.28 105.19 106.29 1f1g n GLY 108 Ca -0.16 -1.91 0.11 0.00 0.00 0.00 0.00 46.02 44.06 1f1g n GLY 108 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1f1g n PRO 109 N -0.17 0.14 -0.69 1.61 -0.04 -1.26 -1.50 135.00 133.09 1f1g n PRO 109 Ca 0.00 0.29 0.08 0.00 -0.04 0.00 0.00 63.50 63.83 1f1g n PRO 109 Cb 0.00 -1.73 0.35 0.00 -0.04 0.00 0.00 33.50 32.08 1f1g n PRO 109 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1f1g n THR 110 N -1.98 2.34 -1.66 0.52 -2.24 -1.26 -5.02 114.28 104.98 1f1g n THR 110 Ca 0.04 -1.45 -0.44 0.00 -2.27 0.00 0.00 64.05 59.93 1f1g n THR 110 Cb 0.27 -0.13 -0.01 0.00 -2.10 0.00 0.00 70.33 68.35 1f1g n THR 110 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1f1g n SER 111 N 0.47 2.34 -0.48 3.42 2.88 -0.56 -4.54 113.62 117.15 1f1g n SER 111 Ca 0.25 1.19 0.13 0.00 -1.33 0.00 0.00 58.87 59.11 1f1g n SER 111 Cb 1.02 -1.41 0.50 0.00 -0.75 0.00 0.00 64.21 63.56 1f1g n SER 111 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1f1g n VAL 112 N 0.63 0.05 -1.74 2.46 0.24 -0.03 -4.87 118.33 115.07 1f1g n VAL 112 Ca 0.07 -0.26 -0.42 0.00 -2.04 0.00 0.00 64.34 61.69 1f1g n VAL 112 Cb 0.34 0.43 -0.02 0.00 -1.47 0.00 0.00 33.84 33.11 1f1g n VAL 112 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1f1g s VAL 113 N -1.95 2.01 0.00 3.34 1.01 -1.26 -1.12 120.40 122.43 1f1g s VAL 113 Ca 0.37 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.36 1f1g s VAL 113 Cb 0.20 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.57 1f1g s VAL 113 CO 0.32 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1f1g n GLY 114 N 3.24 0.92 0.00 4.51 0.00 0.54 -5.01 105.19 109.40 1f1g n GLY 114 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1f1g n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f1g n ARG 115 N -2.00 2.94 -4.23 1.61 1.74 -0.28 -2.17 116.66 114.27 1f1g n ARG 115 Ca 0.00 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.92 1f1g n ARG 115 Cb 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.33 1f1g n ARG 115 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1f1g s SER 116 N -1.00 1.85 -0.09 0.55 0.01 -1.05 -0.52 113.70 113.44 1f1g s SER 116 Ca 0.00 -0.86 -0.02 0.00 1.31 0.00 0.00 55.95 56.38 1f1g s SER 116 Cb 0.00 -0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.16 1f1g s SER 116 CO 0.00 -0.21 -0.01 -0.69 0.41 0.00 0.00 173.24 172.74 1f1g s VAL 117 N -2.50 4.23 -0.05 3.43 1.01 0.26 -0.39 120.40 126.40 1f1g s VAL 117 Ca 0.10 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 61.85 1f1g s VAL 117 Cb -0.03 -2.78 -0.00 0.00 0.00 0.00 0.00 36.38 33.57 1f1g s VAL 117 CO 0.02 0.59 -0.17 -0.69 0.00 0.00 0.00 175.10 174.85 1f1g s VAL 118 N -0.71 1.48 -0.13 2.92 1.01 -0.22 -1.39 120.40 123.35 1f1g s VAL 118 Ca 0.11 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 1f1g s VAL 118 Cb -0.12 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 1f1g s VAL 118 CO 0.02 0.43 0.02 -0.51 0.00 0.00 0.00 175.10 175.06 1f1g s ILE 119 N 0.16 4.48 0.29 2.22 1.10 -0.70 -1.92 121.20 126.84 1f1g s ILE 119 Ca -0.07 -0.16 0.06 0.00 -0.51 0.00 0.00 60.65 59.97 1f1g s ILE 119 Cb -0.13 -2.95 -0.02 0.00 0.15 0.00 0.00 42.46 39.51 1f1g s ILE 119 CO 0.03 0.54 0.37 -1.00 -2.11 0.00 0.00 174.94 172.78 1f1g s HIS 120 N -0.29 3.19 -0.69 3.50 3.76 -0.04 -3.22 115.29 121.50 1f1g s HIS 120 Ca 0.07 -0.15 0.25 0.00 -0.15 0.00 0.00 55.06 55.07 1f1g s HIS 120 Cb -0.12 -1.75 0.46 0.00 1.11 0.00 0.00 32.58 32.28 1f1g s HIS 120 CO 0.02 0.23 1.42 0.00 -0.85 0.00 0.00 174.74 175.56 1f1g n ALA 121 N -1.47 2.84 -2.65 -1.40 0.00 -0.19 -4.39 120.51 113.25 1f1g n ALA 121 Ca -0.04 -0.21 -0.29 0.00 0.00 0.00 0.00 53.44 52.89 1f1g n ALA 121 Cb 0.58 -1.23 -0.09 0.00 0.00 0.00 0.00 19.45 18.71 1f1g n ALA 121 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1f1g s GLY 122 N -3.58 2.74 0.19 0.00 0.00 -0.10 -4.94 107.32 101.63 1f1g s GLY 122 Ca 0.08 -1.15 -0.30 0.00 0.00 0.00 0.00 44.72 43.35 1f1g s GLY 122 CO 0.69 -2.07 0.98 1.62 0.00 0.00 0.00 173.10 174.32 1f1g s GLN 123 N -3.81 4.75 -0.12 2.90 0.74 -1.21 -1.00 119.66 121.91 1f1g s GLN 123 Ca 0.19 1.54 -0.27 0.00 0.05 0.00 0.00 55.36 56.87 1f1g s GLN 123 Cb 0.04 -3.30 -0.02 0.00 1.10 0.00 0.00 33.01 30.84 1f1g s GLN 123 CO 0.10 0.33 0.90 0.34 -0.55 0.00 0.00 175.29 176.41 1f1g s ASP 124 N -0.64 7.10 0.00 6.67 -1.08 -1.26 -3.80 116.67 123.67 1f1g s ASP 124 Ca 0.44 1.35 0.10 0.00 -0.52 0.00 0.00 52.55 53.93 1f1g s ASP 124 Cb -0.26 -2.50 0.34 0.00 -1.46 0.00 0.00 42.92 39.04 1f1g s ASP 124 CO 0.33 -0.38 1.27 -0.90 0.52 0.00 0.00 175.17 176.00 1f1g n ASP 125 N 4.92 1.39 -1.57 -0.34 5.68 0.99 -4.86 116.55 122.76 1f1g n ASP 125 Ca 0.06 -1.93 -0.17 0.00 -0.50 0.00 0.00 54.79 52.24 1f1g n ASP 125 Cb 0.49 -0.16 -0.05 0.00 -1.14 0.00 0.00 41.12 40.26 1f1g n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1f1g n LEU 126 N 0.23 -1.46 0.00 -2.12 4.77 -1.26 -1.69 117.00 115.48 1f1g n LEU 126 Ca 0.10 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1f1g n LEU 126 Cb 0.23 -2.49 0.00 0.00 -2.33 0.00 0.00 43.42 38.83 1f1g n LEU 126 CO 0.07 -0.65 0.00 0.61 -1.33 0.00 0.00 177.39 176.09 1f1g n GLY 127 N -0.90 0.68 1.00 -0.72 0.00 -1.25 -3.55 105.19 100.45 1f1g n GLY 127 Ca -0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.92 1f1g n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1f1g n LYS 128 N -2.59 2.90 -1.51 1.61 4.01 -0.68 -4.66 118.16 117.24 1f1g n LYS 128 Ca 0.00 -2.39 -0.18 0.00 -0.51 0.00 0.00 58.31 55.22 1f1g n LYS 128 Cb 0.00 -1.46 0.12 0.00 -0.51 0.00 0.00 35.03 33.18 1f1g n LYS 128 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1f1g n GLY 129 N 0.95 -0.67 0.21 0.72 0.00 -1.26 -5.01 105.19 100.14 1f1g n GLY 129 Ca 0.18 -1.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.27 1f1g n GLY 129 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1f1g h ASP 130 N -0.91 0.73 -4.14 1.61 3.32 -1.99 -3.47 116.42 111.56 1f1g h ASP 130 Ca -0.27 -0.47 -0.50 0.00 0.02 0.00 0.00 57.03 55.81 1f1g h ASP 130 Cb 0.81 -0.20 0.08 0.00 0.22 0.00 0.00 39.33 40.23 1f1g h ASP 130 CO 0.22 1.04 0.40 0.42 -1.72 0.00 0.00 179.24 179.60 1f1g s THR 131 N -4.37 3.31 0.41 0.35 -4.23 -1.26 -4.97 115.64 104.88 1f1g s THR 131 Ca -0.12 0.71 0.12 0.00 -1.18 0.00 0.00 61.69 61.22 1f1g s THR 131 Cb 0.09 -3.24 0.15 0.00 1.34 0.00 0.00 72.50 70.84 1f1g s THR 131 CO 0.82 -0.28 1.92 1.05 -0.54 0.00 0.00 174.62 177.59 1f1g h GLU 132 N 0.68 0.08 -0.67 3.99 9.09 -2.01 -2.61 114.58 123.13 1f1g h GLU 132 Ca -0.48 -0.02 0.06 0.00 0.05 0.00 0.00 59.36 58.96 1f1g h GLU 132 Cb 1.25 -0.01 -0.04 0.00 -1.65 0.00 0.00 28.75 28.30 1f1g h GLU 132 CO 0.56 0.30 0.44 1.49 0.05 0.00 0.00 179.01 181.85 1f1g h GLU 133 N 0.08 0.68 -1.00 1.06 4.57 -1.98 -1.66 114.58 116.33 1f1g h GLU 133 Ca 0.01 -0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.21 1f1g h GLU 133 Cb 0.43 -0.15 -0.07 0.00 -0.16 0.00 0.00 28.75 28.80 1f1g h GLU 133 CO 0.03 0.45 0.65 1.03 -1.18 0.00 0.00 179.01 179.99 1f1g h SER 134 N 0.70 1.05 0.34 1.04 0.87 -1.81 -0.12 113.55 115.62 1f1g h SER 134 Ca 0.29 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 1f1g h SER 134 Cb 0.24 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1f1g h SER 134 CO -0.09 0.67 0.00 0.18 -0.53 0.00 0.00 176.83 177.06 1f1g n LEU 135 N -4.49 0.00 -0.08 2.23 4.77 -0.63 -1.52 117.00 117.28 1f1g n LEU 135 Ca 0.15 0.23 -0.18 0.00 -0.03 0.00 0.00 56.01 56.19 1f1g n LEU 135 Cb 0.17 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 40.97 1f1g n LEU 135 CO 0.33 -0.06 -1.03 0.29 -1.33 0.00 0.00 177.39 175.59 1f1g n LYS 136 N -1.23 0.37 0.00 3.23 4.01 -0.22 -0.98 118.16 123.35 1f1g n LYS 136 Ca 0.12 0.16 0.00 0.00 -0.51 0.00 0.00 58.31 58.08 1f1g n LYS 136 Cb 0.16 -1.13 0.00 0.00 -0.51 0.00 0.00 35.03 33.55 1f1g n LYS 136 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1f1g n THR 137 N -3.84 0.00 -1.08 -0.18 -2.24 -0.27 -4.69 114.28 101.98 1f1g n THR 137 Ca -0.32 -0.39 -0.03 0.00 -2.27 0.00 0.00 64.05 61.04 1f1g n THR 137 Cb 0.70 1.10 -0.01 0.00 -2.10 0.00 0.00 70.33 70.02 1f1g n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1f1g n GLY 138 N 0.41 0.41 2.59 3.38 0.00 -0.57 -3.09 105.19 108.32 1f1g n GLY 138 Ca 0.00 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 1f1g n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1f1g n ASN 139 N -0.58 -5.69 0.00 1.61 3.02 -1.26 -0.01 115.26 112.36 1f1g n ASN 139 Ca -0.03 -0.07 0.14 0.00 -0.03 0.00 0.00 54.58 54.59 1f1g n ASN 139 Cb 0.35 -4.71 0.75 0.00 -0.61 0.00 0.00 39.78 35.57 1f1g n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f1g n ALA 140 N -2.48 2.46 -0.28 5.41 0.00 -1.18 -4.65 120.51 119.78 1f1g n ALA 140 Ca -0.20 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1f1g n ALA 140 Cb 0.66 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1f1g n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f1g n GLY 141 N 1.15 -0.29 3.51 0.00 0.00 -1.26 -0.92 105.19 107.39 1f1g n GLY 141 Ca 0.15 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 1f1g n GLY 141 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1f1g n PRO 142 N 0.00 -1.11 -3.66 1.61 -0.02 -1.26 -4.69 135.00 125.88 1f1g n PRO 142 Ca 0.00 -0.28 -0.32 0.00 -2.02 0.00 0.00 63.50 60.88 1f1g n PRO 142 Cb 0.00 -2.12 -0.08 0.00 -0.02 0.00 0.00 33.50 31.27 1f1g n PRO 142 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1f1g n ARG 143 N -3.62 2.45 0.25 -0.52 1.74 -1.26 -1.02 116.66 114.68 1f1g n ARG 143 Ca 0.07 -4.53 0.12 0.00 -0.77 0.00 0.00 57.85 52.74 1f1g n ARG 143 Cb 0.54 -2.35 0.68 0.00 -1.02 0.00 0.00 32.46 30.31 1f1g n ARG 143 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1f1g h PRO 144 N 5.41 0.00 -3.20 5.56 0.13 -1.87 -3.45 132.00 134.59 1f1g h PRO 144 Ca 0.17 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.22 1f1g h PRO 144 Cb 0.75 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.72 1f1g h PRO 144 CO 0.83 0.14 -0.14 0.00 -0.23 0.00 0.00 178.00 178.60 1f1g s ALA 145 N -4.18 -0.88 0.17 -0.56 0.00 -1.23 -4.06 121.76 111.02 1f1g s ALA 145 Ca -0.03 0.13 -0.24 0.00 0.00 0.00 0.00 51.96 51.82 1f1g s ALA 145 Cb 0.13 0.42 0.06 0.00 0.00 0.00 0.00 23.12 23.72 1f1g s ALA 145 CO 0.60 -0.49 0.74 0.00 0.00 0.00 0.00 175.76 176.61 1f1g s GLY 147 N -2.79 -0.51 0.27 0.00 0.00 -0.48 -1.39 107.32 102.41 1f1g s GLY 147 Ca 0.06 1.33 -0.30 0.00 0.00 0.00 0.00 44.72 45.82 1f1g s GLY 147 CO -0.04 1.02 1.09 0.14 0.00 0.00 0.00 173.10 175.31 1f1g s VAL 148 N -0.82 3.54 -0.23 1.40 1.01 -1.26 -0.57 120.40 123.47 1f1g s VAL 148 Ca -0.09 1.53 -0.24 0.00 0.00 0.00 0.00 61.98 63.19 1f1g s VAL 148 Cb -0.02 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 1f1g s VAL 148 CO 0.07 0.36 0.79 -0.63 0.00 0.00 0.00 175.10 175.68 1f1g s ILE 149 N -1.07 4.88 0.23 2.22 1.01 0.32 -4.32 121.20 124.46 1f1g s ILE 149 Ca 0.45 1.49 0.12 0.00 0.00 0.00 0.00 60.65 62.70 1f1g s ILE 149 Cb -0.31 -4.08 -0.05 0.00 0.01 0.00 0.00 42.46 38.03 1f1g s ILE 149 CO 0.40 -0.03 -0.22 -0.83 0.00 0.00 0.00 174.94 174.26 1f1g s GLY 150 N 1.32 1.78 0.32 6.18 0.00 -0.00 -0.34 107.32 116.58 1f1g s GLY 150 Ca 0.34 -1.74 -0.29 0.00 0.00 0.00 0.00 44.72 43.03 1f1g s GLY 150 CO 0.08 -1.79 1.20 1.08 0.00 0.00 0.00 173.10 173.67 1f1g s LEU 151 N -3.02 4.45 0.00 0.66 1.43 -1.26 -0.38 118.68 120.56 1f1g s LEU 151 Ca 0.25 2.47 0.00 0.00 -1.03 0.00 0.00 54.13 55.81 1f1g s LEU 151 Cb -0.07 -3.69 0.00 0.00 0.03 0.00 0.00 46.19 42.47 1f1g s LEU 151 CO 0.12 -0.38 0.00 1.07 0.23 0.00 0.00 176.35 177.39 1f1g n THR 152 N 0.87 0.00 -1.21 5.49 5.66 -0.31 -4.84 114.28 119.94 1f1g n THR 152 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1f1g n THR 152 Cb 0.44 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.22 1f1g n THR 152 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56