#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1g s SER 2 N 0.00 -1.01 0.50 1.61 0.15 -1.26 -5.11 113.70 108.58 1x1g s SER 2 Ca 0.00 1.28 0.00 0.00 0.70 0.00 0.00 55.95 57.93 1x1g s SER 2 Cb 0.00 2.09 0.00 0.00 -1.71 0.00 0.00 66.02 66.40 1x1g s SER 2 CO 0.00 -0.23 0.00 -1.20 1.20 0.00 0.00 173.24 173.01 1x1g n SER 3 N 5.43 -8.38 0.00 5.45 7.64 -1.26 -5.09 113.62 117.41 1x1g n SER 3 Ca -0.09 1.20 0.00 0.00 1.01 0.00 0.00 58.87 61.00 1x1g n SER 3 Cb 0.50 -4.61 0.00 0.00 -1.01 0.00 0.00 64.21 59.09 1x1g n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x1g n GLY 4 N -0.83 5.49 1.37 0.23 0.00 -1.26 -5.15 105.19 105.05 1x1g n GLY 4 Ca 0.00 -0.82 0.17 0.00 0.00 0.00 0.00 46.02 45.37 1x1g n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x1g n SER 5 N 0.00 -7.77 -3.60 1.61 7.64 -1.26 -5.07 113.62 105.16 1x1g n SER 5 Ca 0.00 1.22 0.00 0.00 1.01 0.00 0.00 58.87 61.10 1x1g n SER 5 Cb 0.00 -4.60 -0.01 0.00 -1.01 0.00 0.00 64.21 58.59 1x1g n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x1g s SER 6 N -7.11 -0.03 0.00 6.43 0.15 -1.26 -5.12 113.70 106.75 1x1g s SER 6 Ca 0.00 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.63 1x1g s SER 6 Cb 0.00 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.36 1x1g s SER 6 CO 0.00 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1x1g n GLY 7 N -0.26 -1.71 2.74 9.45 0.00 -1.26 -5.11 105.19 109.04 1x1g n GLY 7 Ca -0.03 0.60 -0.04 0.00 0.00 0.00 0.00 46.02 46.55 1x1g n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x1g n SER 8 N 0.00 -2.51 0.15 1.61 7.64 -1.26 -5.01 113.62 114.24 1x1g n SER 8 Ca 0.00 1.24 0.00 0.00 1.01 0.00 0.00 58.87 61.12 1x1g n SER 8 Cb 0.00 -4.17 0.00 0.00 -1.01 0.00 0.00 64.21 59.03 1x1g n SER 8 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1x1g n LEU 9 N 1.98 -0.84 -3.76 -3.43 4.77 -1.26 -5.12 117.00 109.34 1x1g n LEU 9 Ca -0.30 0.54 -0.13 0.00 -0.03 0.00 0.00 56.01 56.09 1x1g n LEU 9 Cb 0.47 0.98 -0.14 0.00 -2.33 0.00 0.00 43.42 42.40 1x1g n LEU 9 CO 0.28 -0.60 -0.22 -0.55 -1.33 0.00 0.00 177.39 174.98 1x1g s SER 10 N -4.42 -0.13 0.67 -1.43 0.15 -1.26 -5.16 113.70 102.13 1x1g s SER 10 Ca 0.00 0.31 -0.07 0.00 0.70 0.00 0.00 55.95 56.89 1x1g s SER 10 Cb 0.00 0.22 0.04 0.00 -1.71 0.00 0.00 66.02 64.57 1x1g s SER 10 CO 0.00 -0.13 1.00 -0.89 1.20 0.00 0.00 173.24 174.41 1x1g s THR 11 N 1.00 2.88 0.04 6.45 2.01 -1.26 -5.01 115.64 121.74 1x1g s THR 11 Ca -0.08 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 61.86 1x1g s THR 11 Cb -0.10 -3.21 0.00 0.00 0.01 0.00 0.00 72.50 69.20 1x1g s THR 11 CO -0.05 -0.24 0.00 0.55 -0.69 0.00 0.00 174.62 174.19 1x1g n VAL 12 N -2.84 0.00 -0.13 3.82 3.14 -1.26 -4.74 118.33 116.31 1x1g n VAL 12 Ca 0.07 0.00 -0.06 0.00 -2.96 0.00 0.00 64.34 61.39 1x1g n VAL 12 Cb 0.59 -0.03 0.03 0.00 -1.06 0.00 0.00 33.84 33.37 1x1g n VAL 12 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1x1g h GLU 13 N 0.00 0.38 -0.10 1.45 5.08 -1.96 0.19 114.58 119.62 1x1g h GLU 13 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1x1g h GLU 13 Cb 0.00 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1x1g h GLU 13 CO 0.00 0.25 0.00 1.28 -1.00 0.00 0.00 179.01 179.54 1x1g n LEU 14 N -4.94 0.71 -3.69 1.33 7.99 -1.26 -4.20 117.00 112.94 1x1g n LEU 14 Ca 0.02 -0.32 -0.41 0.00 -0.01 0.00 0.00 56.01 55.29 1x1g n LEU 14 Cb 0.12 -0.06 0.01 0.00 -0.11 0.00 0.00 43.42 43.38 1x1g n LEU 14 CO 0.29 0.16 1.30 -0.24 -1.51 0.00 0.00 177.39 177.39 1x1g n SER 15 N -0.23 6.99 -4.12 -1.43 2.88 0.67 -4.96 113.62 113.43 1x1g n SER 15 Ca 0.10 -3.62 -0.10 0.00 -1.33 0.00 0.00 58.87 53.92 1x1g n SER 15 Cb 0.15 -1.16 -0.09 0.00 -0.75 0.00 0.00 64.21 62.35 1x1g n SER 15 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x1g s GLY 16 N -1.55 0.96 0.36 0.46 0.00 -1.26 -3.74 107.32 102.54 1x1g s GLY 16 Ca 0.38 -1.38 -0.27 0.00 0.00 0.00 0.00 44.72 43.44 1x1g s GLY 16 CO -0.07 -1.25 1.20 -1.59 0.00 0.00 0.00 173.10 171.39 1x1g s THR 17 N -4.05 3.08 -0.06 0.90 2.01 0.26 -4.54 115.64 113.24 1x1g s THR 17 Ca 0.25 1.00 -0.30 0.00 0.31 0.00 0.00 61.69 62.95 1x1g s THR 17 Cb 0.06 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.95 1x1g s THR 17 CO 0.03 0.17 1.14 -0.69 -0.69 0.00 0.00 174.62 174.59 1x1g s VAL 18 N -1.28 4.40 -0.14 3.82 1.01 -1.26 0.21 120.40 127.16 1x1g s VAL 18 Ca 0.52 1.71 0.04 0.00 0.00 0.00 0.00 61.98 64.25 1x1g s VAL 18 Cb -0.34 -4.10 -0.12 0.00 0.00 0.00 0.00 36.38 31.83 1x1g s VAL 18 CO 0.43 0.01 -0.07 1.33 0.00 0.00 0.00 175.10 176.80 1x1g n VAL 19 N 4.54 0.85 -3.68 2.92 0.24 0.19 -4.89 118.33 118.50 1x1g n VAL 19 Ca 0.10 -0.39 -0.14 0.00 -2.04 0.00 0.00 64.34 61.87 1x1g n VAL 19 Cb 0.47 -0.92 -0.09 0.00 -1.47 0.00 0.00 33.84 31.84 1x1g n VAL 19 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1x1g s LYS 20 N -2.30 0.65 -0.03 7.34 2.47 -0.96 -5.01 119.74 121.89 1x1g s LYS 20 Ca -0.16 0.72 -0.06 0.00 -1.56 0.00 0.00 55.97 54.91 1x1g s LYS 20 Cb 0.05 0.32 0.01 0.00 -1.46 0.00 0.00 37.83 36.74 1x1g s LYS 20 CO 0.40 -0.09 0.15 -0.65 0.16 0.00 0.00 175.35 175.32 1x1g s GLN 21 N 0.21 0.32 0.00 4.03 -0.21 -1.26 0.17 119.66 122.92 1x1g s GLN 21 Ca -0.01 -0.05 0.00 0.00 0.02 0.00 0.00 55.36 55.32 1x1g s GLN 21 Cb -0.04 0.14 0.00 0.00 1.00 0.00 0.00 33.01 34.11 1x1g s GLN 21 CO 0.01 -0.06 0.00 0.41 -2.12 0.00 0.00 175.29 173.53 1x1g n GLY 22 N 2.31 -1.06 3.17 3.09 0.00 -0.94 -5.03 105.19 106.73 1x1g n GLY 22 Ca -0.17 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.49 1x1g n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x1g s TYR 23 N -3.00 2.78 0.46 1.61 1.51 -1.26 -1.01 117.35 118.45 1x1g s TYR 23 Ca 0.00 -1.43 0.06 0.00 -1.01 0.00 0.00 57.07 54.69 1x1g s TYR 23 Cb 0.00 -1.92 -0.02 0.00 -0.11 0.00 0.00 41.96 39.90 1x1g s TYR 23 CO 0.00 -0.70 0.19 -0.51 -1.11 0.00 0.00 175.55 173.42 1x1g s LEU 24 N 1.17 2.84 -0.26 -1.29 1.43 0.18 -4.50 118.68 118.25 1x1g s LEU 24 Ca 0.02 -1.25 0.03 0.00 -1.03 0.00 0.00 54.13 51.90 1x1g s LEU 24 Cb -0.14 -1.21 0.06 0.00 0.03 0.00 0.00 46.19 44.93 1x1g s LEU 24 CO -0.08 -0.74 -0.10 0.00 0.23 0.00 0.00 176.35 175.66 1x1g s ALA 25 N -2.70 2.57 0.06 4.21 0.00 -1.15 0.18 121.76 124.93 1x1g s ALA 25 Ca 0.32 -1.79 -0.21 0.00 0.00 0.00 0.00 51.96 50.28 1x1g s ALA 25 Cb 0.02 -1.60 -0.06 0.00 0.00 0.00 0.00 23.12 21.48 1x1g s ALA 25 CO 0.18 -1.22 0.62 0.21 0.00 0.00 0.00 175.76 175.55 1x1g s LYS 26 N 1.10 4.31 -0.32 0.00 2.20 -0.77 -1.86 119.74 124.40 1x1g s LYS 26 Ca -0.08 0.82 -0.19 0.00 -0.36 0.00 0.00 55.97 56.17 1x1g s LYS 26 Cb -0.20 -3.28 -0.01 0.00 -1.51 0.00 0.00 37.83 32.83 1x1g s LYS 26 CO -0.05 0.52 0.54 -1.14 -0.36 0.00 0.00 175.35 174.86 1x1g s GLN 27 N -0.75 3.78 0.00 4.03 0.74 -0.81 -2.49 119.66 124.15 1x1g s GLN 27 Ca 0.31 0.04 0.00 0.00 0.05 0.00 0.00 55.36 55.76 1x1g s GLN 27 Cb -0.20 -3.76 0.00 0.00 1.10 0.00 0.00 33.01 30.15 1x1g s GLN 27 CO 0.20 -0.57 0.00 0.41 -0.55 0.00 0.00 175.29 174.78 1x1g n GLY 28 N 4.64 -1.07 2.06 2.59 0.00 -1.26 -4.73 105.19 107.42 1x1g n GLY 28 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1x1g n GLY 28 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1x1g n HIS 29 N 0.00 -2.39 -4.14 1.61 -0.00 -1.26 -5.05 115.22 103.99 1x1g n HIS 29 Ca 0.00 0.52 -0.13 0.00 0.46 0.00 0.00 57.72 58.57 1x1g n HIS 29 Cb 0.00 1.36 -0.08 0.00 -0.12 0.00 0.00 29.99 31.16 1x1g n HIS 29 CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 1x1g s LYS 30 N -1.51 1.48 0.61 1.57 2.20 -1.26 -4.99 119.74 117.83 1x1g s LYS 30 Ca 0.00 -1.61 0.00 0.00 -0.36 0.00 0.00 55.97 54.00 1x1g s LYS 30 Cb 0.00 0.36 0.00 0.00 -1.51 0.00 0.00 37.83 36.68 1x1g s LYS 30 CO 0.00 -0.56 0.00 0.54 -0.36 0.00 0.00 175.35 174.97 1x1g n ARG 31 N -0.39 0.00 -2.04 4.03 1.74 -1.26 -4.63 116.66 114.11 1x1g n ARG 31 Ca 0.02 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.67 1x1g n ARG 31 Cb 0.64 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 32.05 1x1g n ARG 31 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1x1g s LYS 32 N 0.00 3.26 0.00 5.56 -0.14 -1.26 -4.97 119.74 122.19 1x1g s LYS 32 Ca 0.00 1.26 0.00 0.00 -1.36 0.00 0.00 55.97 55.87 1x1g s LYS 32 Cb 0.00 -4.21 0.00 0.00 -1.68 0.00 0.00 37.83 31.94 1x1g s LYS 32 CO 0.00 -1.95 0.00 0.09 -0.76 0.00 0.00 175.35 172.73 1x1g n ASN 33 N 10.49 0.00 -4.76 2.83 4.13 -1.26 -4.40 115.26 122.28 1x1g n ASN 33 Ca 0.22 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 56.09 1x1g n ASN 33 Cb 0.48 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.72 1x1g n ASN 33 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1x1g s TRP 34 N 0.00 2.73 -0.07 3.10 0.52 -1.26 -4.35 118.94 119.60 1x1g s TRP 34 Ca 0.00 1.43 0.02 0.00 0.02 0.00 0.00 56.10 57.56 1x1g s TRP 34 Cb 0.00 -3.64 0.02 0.00 -1.15 0.00 0.00 33.47 28.70 1x1g s TRP 34 CO 0.00 -2.13 -0.11 0.15 0.02 0.00 0.00 176.95 174.87 1x1g s LYS 35 N -2.46 1.67 -0.20 4.98 -0.14 -1.04 -4.98 119.74 117.58 1x1g s LYS 35 Ca 0.61 -0.39 -0.29 0.00 -1.36 0.00 0.00 55.97 54.54 1x1g s LYS 35 Cb -0.37 -1.44 -0.02 0.00 -1.68 0.00 0.00 37.83 34.33 1x1g s LYS 35 CO 0.46 -0.03 1.35 0.08 -0.76 0.00 0.00 175.35 176.46 1x1g s VAL 36 N 0.84 4.11 0.12 3.17 1.01 -1.26 -1.85 120.40 126.55 1x1g s VAL 36 Ca -0.11 1.31 0.08 0.00 0.00 0.00 0.00 61.98 63.25 1x1g s VAL 36 Cb -0.15 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1x1g s VAL 36 CO 0.02 -0.24 -0.18 -0.13 0.00 0.00 0.00 175.10 174.56 1x1g s ARG 37 N 3.87 1.13 -0.59 2.72 0.52 0.49 -4.67 118.95 122.43 1x1g s ARG 37 Ca 0.59 -1.24 -0.24 0.00 -0.52 0.00 0.00 55.73 54.32 1x1g s ARG 37 Cb -0.22 -1.24 0.05 0.00 0.52 0.00 0.00 34.95 34.06 1x1g s ARG 37 CO 0.20 0.27 0.95 0.50 0.02 0.00 0.00 175.30 177.24 1x1g s ARG 38 N -2.32 3.26 -0.11 3.54 3.52 0.66 0.51 118.95 128.00 1x1g s ARG 38 Ca 0.09 -0.44 -0.11 0.00 -0.13 0.00 0.00 55.73 55.14 1x1g s ARG 38 Cb -0.08 -4.11 -0.05 0.00 -1.56 0.00 0.00 34.95 29.16 1x1g s ARG 38 CO 0.05 -1.60 0.25 -0.06 -0.81 0.00 0.00 175.30 173.13 1x1g s PHE 39 N 4.02 3.58 -0.04 5.12 0.40 -0.18 0.18 117.98 131.07 1x1g s PHE 39 Ca 0.28 0.66 0.07 0.00 -0.60 0.00 0.00 56.93 57.33 1x1g s PHE 39 Cb -0.14 -2.17 -0.01 0.00 0.51 0.00 0.00 43.02 41.21 1x1g s PHE 39 CO 0.16 0.53 -0.25 0.54 0.70 0.00 0.00 175.22 176.91 1x1g s VAL 40 N -0.49 1.99 -0.27 -0.44 0.11 0.35 -2.22 120.40 119.43 1x1g s VAL 40 Ca 0.17 -1.05 -0.03 0.00 -2.93 0.00 0.00 61.98 58.14 1x1g s VAL 40 Cb -0.13 -1.67 0.03 0.00 -1.53 0.00 0.00 36.38 33.07 1x1g s VAL 40 CO 0.06 0.56 -0.01 -0.22 -3.33 0.00 0.00 175.10 172.16 1x1g s LEU 41 N -0.35 3.54 0.08 2.54 0.20 0.45 -1.96 118.68 123.18 1x1g s LEU 41 Ca 0.02 -0.95 0.10 0.00 0.69 0.00 0.00 54.13 54.00 1x1g s LEU 41 Cb -0.12 -1.73 -0.03 0.00 -0.43 0.00 0.00 46.19 43.88 1x1g s LEU 41 CO 0.02 -0.18 -0.26 -0.13 -0.29 0.00 0.00 176.35 175.50 1x1g s ARG 42 N 1.35 1.62 0.28 1.98 0.52 -1.03 0.55 118.95 124.21 1x1g s ARG 42 Ca -0.01 -1.20 0.12 0.00 -0.52 0.00 0.00 55.73 54.12 1x1g s ARG 42 Cb -0.18 -1.92 -0.05 0.00 0.52 0.00 0.00 34.95 33.32 1x1g s ARG 42 CO -0.02 0.48 -0.19 -1.59 0.02 0.00 0.00 175.30 174.00 1x1g s LYS 43 N -1.57 1.70 -0.40 3.54 0.00 0.56 -1.50 119.74 122.07 1x1g s LYS 43 Ca 0.12 -1.75 -0.36 0.00 0.00 0.00 0.00 55.97 53.99 1x1g s LYS 43 Cb -0.10 -1.79 0.05 0.00 0.00 0.00 0.00 37.83 35.99 1x1g s LYS 43 CO 0.04 0.33 0.60 -0.25 0.00 0.00 0.00 175.35 176.07 1x1g n ASP 44 N -0.61 -4.90 -4.81 0.03 8.00 -1.26 0.92 116.55 113.92 1x1g n ASP 44 Ca -0.05 -0.15 -0.30 0.00 0.71 0.00 0.00 54.79 55.00 1x1g n ASP 44 Cb 0.60 -1.43 0.09 0.00 -0.02 0.00 0.00 41.12 40.36 1x1g n ASP 44 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1x1g s PRO 45 N -2.20 2.13 -0.71 -0.24 0.04 -1.25 -3.61 135.00 129.18 1x1g s PRO 45 Ca 0.35 0.66 -0.21 0.00 0.04 0.00 0.00 61.00 61.84 1x1g s PRO 45 Cb -0.04 -1.92 0.09 0.00 0.04 0.00 0.00 34.50 32.67 1x1g s PRO 45 CO 0.79 -1.59 0.96 0.00 0.04 0.00 0.00 177.00 177.19 1x1g s ALA 46 N -3.15 3.22 0.27 8.56 0.00 -1.26 -4.68 121.76 124.72 1x1g s ALA 46 Ca 0.61 -2.10 0.01 0.00 0.00 0.00 0.00 51.96 50.47 1x1g s ALA 46 Cb -0.14 -3.85 -0.03 0.00 0.00 0.00 0.00 23.12 19.10 1x1g s ALA 46 CO 0.54 -2.75 0.26 -0.06 0.00 0.00 0.00 175.76 173.75 1x1g s PHE 47 N 3.55 1.32 -0.21 0.00 0.40 -0.56 -3.56 117.98 118.92 1x1g s PHE 47 Ca 0.23 -1.43 -0.04 0.00 -0.60 0.00 0.00 56.93 55.08 1x1g s PHE 47 Cb -0.16 -0.50 0.11 0.00 0.51 0.00 0.00 43.02 42.98 1x1g s PHE 47 CO 0.05 -0.83 0.33 -1.17 0.70 0.00 0.00 175.22 174.31 1x1g s LEU 48 N -3.24 -0.47 0.28 -0.37 2.96 -1.20 -2.47 118.68 114.16 1x1g s LEU 48 Ca 0.37 0.34 0.12 0.00 -0.22 0.00 0.00 54.13 54.74 1x1g s LEU 48 Cb 0.04 0.94 -0.05 0.00 0.50 0.00 0.00 46.19 47.61 1x1g s LEU 48 CO 0.19 -0.28 -0.20 -1.00 -1.32 0.00 0.00 176.35 173.74 1x1g s HIS 49 N 2.49 2.30 -0.00 5.38 3.76 -0.83 -2.04 115.29 126.35 1x1g s HIS 49 Ca 0.07 -0.33 -0.01 0.00 -0.15 0.00 0.00 55.06 54.64 1x1g s HIS 49 Cb -0.14 -1.00 -0.00 0.00 1.11 0.00 0.00 32.58 32.54 1x1g s HIS 49 CO -0.13 0.71 0.02 1.52 -0.85 0.00 0.00 174.74 176.00 1x1g s TYR 50 N -2.47 0.02 0.21 1.40 -0.85 -1.26 0.13 117.35 114.54 1x1g s TYR 50 Ca 0.30 -0.04 0.09 0.00 -0.52 0.00 0.00 57.07 56.90 1x1g s TYR 50 Cb -0.05 -0.03 -0.04 0.00 0.38 0.00 0.00 41.96 42.22 1x1g s TYR 50 CO 0.15 -0.05 -0.07 0.71 -1.52 0.00 0.00 175.55 174.77 1x1g s TYR 51 N -0.27 2.63 -0.16 -3.49 1.51 0.48 0.16 117.35 118.22 1x1g s TYR 51 Ca -0.03 -0.23 -0.14 0.00 -1.01 0.00 0.00 57.07 55.66 1x1g s TYR 51 Cb -0.02 -1.24 -0.05 0.00 -0.11 0.00 0.00 41.96 40.54 1x1g s TYR 51 CO -0.00 0.56 0.32 0.16 -1.11 0.00 0.00 175.55 175.48 1x1g s ASP 52 N -3.12 6.46 0.09 2.29 1.47 -1.26 -0.25 116.67 122.35 1x1g s ASP 52 Ca 0.27 0.54 -0.13 0.00 1.18 0.00 0.00 52.55 54.41 1x1g s ASP 52 Cb -0.08 -2.20 -0.19 0.00 -0.34 0.00 0.00 42.92 40.11 1x1g s ASP 52 CO 0.17 0.07 1.24 1.55 0.68 0.00 0.00 175.17 178.88 1x1g h PRO 53 N 6.75 0.72 -0.84 2.11 0.13 -1.96 -3.23 132.00 135.69 1x1g h PRO 53 Ca -0.41 -0.70 0.08 0.00 -0.87 0.00 0.00 66.00 64.10 1x1g h PRO 53 Cb 1.17 0.18 -0.07 0.00 0.13 0.00 0.00 31.00 32.41 1x1g h PRO 53 CO 0.75 1.29 0.50 1.03 -0.23 0.00 0.00 178.00 181.34 1x1g h SER 54 N 0.44 0.74 -4.22 1.44 0.87 -1.93 -3.43 113.55 107.45 1x1g h SER 54 Ca -0.10 0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.40 1x1g h SER 54 Cb 1.59 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 63.44 1x1g h SER 54 CO 0.19 0.44 -0.03 0.29 -0.53 0.00 0.00 176.83 177.19 1x1g n LYS 55 N -4.69 1.11 0.00 2.24 4.76 -1.22 -5.13 118.16 115.23 1x1g n LYS 55 Ca 0.13 -0.58 0.00 0.00 -2.87 0.00 0.00 58.31 54.99 1x1g n LYS 55 Cb 0.24 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.43 1x1g n LYS 55 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1x1g n GLU 56 N -1.01 0.00 -1.03 1.97 1.02 -1.26 -4.75 120.64 115.58 1x1g n GLU 56 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1x1g n GLU 56 Cb 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.53 1x1g n GLU 56 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1x1g n GLU 57 N 0.00 -2.93 -1.41 3.49 2.13 -1.26 -4.55 120.64 116.11 1x1g n GLU 57 Ca 0.00 2.15 -0.40 0.00 0.66 0.00 0.00 57.16 59.57 1x1g n GLU 57 Cb 0.00 -2.40 -0.02 0.00 0.27 0.00 0.00 31.44 29.29 1x1g n GLU 57 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1x1g n ASN 58 N -0.46 4.19 0.00 4.31 3.02 -1.26 -4.73 115.26 120.33 1x1g n ASN 58 Ca 0.00 -2.71 0.00 0.00 -0.03 0.00 0.00 54.58 51.84 1x1g n ASN 58 Cb 0.00 -1.43 0.00 0.00 -0.61 0.00 0.00 39.78 37.74 1x1g n ASN 58 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1x1g n ARG 59 N 5.87 0.00 -1.52 3.52 1.74 -1.26 -5.14 116.66 119.86 1x1g n ARG 59 Ca 0.54 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 57.33 1x1g n ARG 59 Cb 0.35 0.00 0.18 0.00 -1.02 0.00 0.00 32.46 31.97 1x1g n ARG 59 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1x1g s PRO 60 N -2.00 0.30 0.11 5.56 0.04 -1.26 -4.82 135.00 132.93 1x1g s PRO 60 Ca 0.00 -0.02 0.25 0.00 0.04 0.00 0.00 61.00 61.27 1x1g s PRO 60 Cb 0.00 -1.77 0.54 0.00 0.04 0.00 0.00 34.50 33.31 1x1g s PRO 60 CO 0.00 -2.70 1.48 0.28 0.04 0.00 0.00 177.00 176.09 1x1g n VAL 61 N -4.05 0.31 0.00 -0.36 0.31 0.43 -4.91 118.33 110.06 1x1g n VAL 61 Ca 0.11 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1x1g n VAL 61 Cb 0.59 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 33.34 1x1g n VAL 61 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1x1g n GLY 62 N 1.37 1.27 0.00 2.92 0.00 -1.20 -5.04 105.19 104.51 1x1g n GLY 62 Ca 0.04 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1x1g n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x1g n GLY 63 N 0.00 3.95 3.10 -0.02 0.00 -1.26 -4.53 105.19 106.43 1x1g n GLY 63 Ca 0.00 -1.32 -0.16 0.00 0.00 0.00 0.00 46.02 44.54 1x1g n GLY 63 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1x1g s PHE 64 N -0.06 0.93 0.71 1.61 -0.71 -0.87 -4.98 117.98 114.62 1x1g s PHE 64 Ca 0.00 -0.42 -0.15 0.00 -1.04 0.00 0.00 56.93 55.32 1x1g s PHE 64 Cb 0.00 -0.55 0.03 0.00 -1.21 0.00 0.00 43.02 41.29 1x1g s PHE 64 CO 0.00 -0.01 1.19 -1.54 -1.34 0.00 0.00 175.22 173.52 1x1g s SER 65 N -1.40 4.43 -0.09 1.98 1.04 -1.26 -3.24 113.70 115.17 1x1g s SER 65 Ca -0.04 2.30 0.11 0.00 0.48 0.00 0.00 55.95 58.80 1x1g s SER 65 Cb -0.09 -2.58 -0.16 0.00 0.10 0.00 0.00 66.02 63.29 1x1g s SER 65 CO 0.01 -2.10 0.11 0.18 0.98 0.00 0.00 173.24 172.42 1x1g n LEU 66 N -2.56 0.00 -0.37 2.42 4.77 -1.23 -4.42 117.00 115.60 1x1g n LEU 66 Ca 0.13 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.09 1x1g n LEU 66 Cb 0.50 0.20 0.03 0.00 -2.33 0.00 0.00 43.42 41.82 1x1g n LEU 66 CO 0.47 0.20 0.55 0.54 -1.33 0.00 0.00 177.39 177.83 1x1g n ARG 67 N -2.28 -0.24 -1.84 3.23 3.00 -1.26 0.32 116.66 117.59 1x1g n ARG 67 Ca -0.14 1.47 -0.33 0.00 -0.01 0.00 0.00 57.85 58.84 1x1g n ARG 67 Cb 0.71 -2.18 0.04 0.00 0.00 0.00 0.00 32.46 31.03 1x1g n ARG 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1x1g n GLY 68 N -1.44 5.89 3.02 -0.13 0.00 -1.26 -4.60 105.19 106.68 1x1g n GLY 68 Ca 0.09 -2.51 -0.27 0.00 0.00 0.00 0.00 46.02 43.33 1x1g n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x1g n SER 69 N -0.69 3.13 -3.64 1.61 3.41 0.15 -1.66 113.62 115.94 1x1g n SER 69 Ca 0.52 -2.85 -0.15 0.00 -0.26 0.00 0.00 58.87 56.13 1x1g n SER 69 Cb 0.59 0.31 -0.07 0.00 -0.26 0.00 0.00 64.21 64.78 1x1g n SER 69 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1x1g s LEU 70 N 0.00 0.16 0.00 1.04 2.96 0.52 -4.91 118.68 118.46 1x1g s LEU 70 Ca 0.00 0.29 0.03 0.00 -0.22 0.00 0.00 54.13 54.23 1x1g s LEU 70 Cb 0.00 1.87 -0.01 0.00 0.50 0.00 0.00 46.19 48.55 1x1g s LEU 70 CO 0.00 -0.57 -0.08 0.54 -1.32 0.00 0.00 176.35 174.92 1x1g s VAL 71 N -1.60 0.65 0.11 1.68 0.11 -1.26 0.43 120.40 120.52 1x1g s VAL 71 Ca -0.10 -0.45 -0.13 0.00 -2.93 0.00 0.00 61.98 58.37 1x1g s VAL 71 Cb -0.02 -0.56 0.02 0.00 -1.53 0.00 0.00 36.38 34.28 1x1g s VAL 71 CO 0.04 0.11 0.31 -0.44 -3.33 0.00 0.00 175.10 171.80 1x1g s SER 72 N -0.38 -0.08 0.24 3.54 0.01 -0.45 -4.96 113.70 111.61 1x1g s SER 72 Ca 0.02 -0.48 0.03 0.00 1.31 0.00 0.00 55.95 56.82 1x1g s SER 72 Cb -0.04 0.42 -0.03 0.00 0.21 0.00 0.00 66.02 66.58 1x1g s SER 72 CO -0.00 -0.81 0.39 0.00 0.41 0.00 0.00 173.24 173.23 1x1g s ALA 73 N -3.84 3.87 -0.68 1.44 0.00 -1.26 0.42 121.76 121.71 1x1g s ALA 73 Ca 0.05 -1.06 -0.12 0.00 0.00 0.00 0.00 51.96 50.83 1x1g s ALA 73 Cb 0.03 -1.86 0.18 0.00 0.00 0.00 0.00 23.12 21.47 1x1g s ALA 73 CO -0.11 0.28 0.60 -0.51 0.00 0.00 0.00 175.76 176.03 1x1g s LEU 74 N -3.78 6.27 0.35 0.00 1.43 -0.53 -4.81 118.68 117.61 1x1g s LEU 74 Ca 0.36 -2.40 0.07 0.00 -1.03 0.00 0.00 54.13 51.14 1x1g s LEU 74 Cb -0.10 -2.13 -0.07 0.00 0.03 0.00 0.00 46.19 43.92 1x1g s LEU 74 CO 0.30 -0.63 -0.03 -1.61 0.23 0.00 0.00 176.35 174.61 1x1g s GLU 75 N 0.63 1.78 0.28 1.70 0.41 -1.26 -4.36 118.70 117.89 1x1g s GLU 75 Ca 0.13 -1.96 0.00 0.00 -0.41 0.00 0.00 54.97 52.73 1x1g s GLU 75 Cb -0.18 -1.46 0.00 0.00 -1.78 0.00 0.00 34.13 30.71 1x1g s GLU 75 CO -0.04 0.02 0.00 -3.47 -0.49 0.00 0.00 175.26 171.27 1x1g n ASP 76 N -0.79 -5.37 -2.06 -0.19 -0.08 -1.26 -4.97 116.55 101.84 1x1g n ASP 76 Ca -0.05 0.70 0.00 0.00 -1.51 0.00 0.00 54.79 53.93 1x1g n ASP 76 Cb 0.65 -2.24 0.00 0.00 2.34 0.00 0.00 41.12 41.87 1x1g n ASP 76 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1x1g n ASN 77 N -0.78 -8.83 0.00 1.67 4.13 -1.26 -4.81 115.26 105.38 1x1g n ASN 77 Ca 0.00 1.39 0.00 0.00 1.68 0.00 0.00 54.58 57.65 1x1g n ASN 77 Cb 0.00 -4.97 0.00 0.00 -1.54 0.00 0.00 39.78 33.27 1x1g n ASN 77 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1x1g n GLY 78 N 1.85 -3.12 3.74 7.41 0.00 -1.26 -4.34 105.19 109.47 1x1g n GLY 78 Ca 0.00 0.57 -0.42 0.00 0.00 0.00 0.00 46.02 46.17 1x1g n GLY 78 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x1g s VAL 79 N -2.94 2.59 0.02 1.61 1.01 -1.26 -4.74 120.40 116.69 1x1g s VAL 79 Ca 0.00 0.48 -0.30 0.00 0.00 0.00 0.00 61.98 62.15 1x1g s VAL 79 Cb 0.00 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 1x1g s VAL 79 CO 0.00 0.07 1.18 -2.16 0.00 0.00 0.00 175.10 174.19 1x1g s PRO 80 N -0.03 4.42 0.77 2.72 0.04 -1.26 -4.78 135.00 136.87 1x1g s PRO 80 Ca 0.62 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1x1g s PRO 80 Cb -0.43 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 30.68 1x1g s PRO 80 CO 0.41 -0.30 0.00 2.41 0.04 0.00 0.00 177.00 179.56 1x1g n THR 81 N 4.15 0.00 -1.35 1.26 -1.04 -1.26 0.10 114.28 116.14 1x1g n THR 81 Ca 0.09 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.15 1x1g n THR 81 Cb 0.47 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 69.05 1x1g n THR 81 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1x1g n GLY 82 N 0.00 2.62 3.74 3.41 0.00 -1.26 -5.07 105.19 108.62 1x1g n GLY 82 Ca 0.00 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 1x1g n GLY 82 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1x1g n VAL 83 N -0.74 2.07 0.00 1.61 0.31 0.29 -4.96 118.33 116.92 1x1g n VAL 83 Ca 0.08 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 1x1g n VAL 83 Cb 0.63 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.78 1x1g n VAL 83 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1x1g n LYS 84 N 0.43 0.00 -2.84 5.55 4.76 -1.26 -4.50 118.16 120.30 1x1g n LYS 84 Ca 0.03 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.05 1x1g n LYS 84 Cb 0.38 -0.18 -0.04 0.00 -1.84 0.00 0.00 35.03 33.35 1x1g n LYS 84 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1x1g s GLY 85 N 0.00 1.69 0.58 0.72 0.00 -1.26 -4.96 107.32 104.09 1x1g s GLY 85 Ca 0.00 -0.20 -0.18 0.00 0.00 0.00 0.00 44.72 44.34 1x1g s GLY 85 CO 0.00 1.92 -0.19 1.16 0.00 0.00 0.00 173.10 175.99 1x1g n ASN 86 N 6.29 -3.87 0.00 1.64 0.23 -1.26 -4.97 115.26 113.33 1x1g n ASN 86 Ca 0.07 0.59 0.00 0.00 -0.53 0.00 0.00 54.58 54.71 1x1g n ASN 86 Cb 0.47 -0.85 0.00 0.00 -2.08 0.00 0.00 39.78 37.32 1x1g n ASN 86 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1x1g n VAL 87 N -1.67 0.00 0.00 3.53 0.31 -1.26 -5.03 118.33 114.21 1x1g n VAL 87 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1x1g n VAL 87 Cb 0.48 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.41 1x1g n VAL 87 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x1g n GLN 88 N 0.00 0.00 0.00 5.55 1.13 -1.26 -5.06 117.38 117.74 1x1g n GLN 88 Ca 0.00 0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1x1g n GLN 88 Cb 0.00 -0.70 0.00 0.00 0.11 0.00 0.00 30.24 29.65 1x1g n GLN 88 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1x1g n GLY 89 N 1.43 -1.26 2.55 1.08 0.00 -1.26 -5.00 105.19 102.73 1x1g n GLY 89 Ca 0.00 0.49 -0.31 0.00 0.00 0.00 0.00 46.02 46.21 1x1g n GLY 89 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x1g n ASN 90 N 0.00 5.99 -3.43 1.61 3.02 -1.26 -4.60 115.26 116.59 1x1g n ASN 90 Ca 0.00 -2.46 -0.09 0.00 -0.03 0.00 0.00 54.58 51.99 1x1g n ASN 90 Cb 0.00 -1.29 0.03 0.00 -0.61 0.00 0.00 39.78 37.92 1x1g n ASN 90 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1x1g n LEU 91 N 4.36 0.00 -3.50 3.41 4.32 -1.26 -4.66 117.00 119.67 1x1g n LEU 91 Ca 0.57 -1.22 -0.13 0.00 -0.02 0.00 0.00 56.01 55.21 1x1g n LEU 91 Cb 0.20 -0.21 -0.04 0.00 -1.62 0.00 0.00 43.42 41.76 1x1g n LEU 91 CO 0.79 -0.60 0.55 0.72 -1.22 0.00 0.00 177.39 177.63 1x1g s PHE 92 N -0.75 -0.50 0.34 -1.77 -0.12 -1.15 -1.45 117.98 112.58 1x1g s PHE 92 Ca 0.30 0.59 0.08 0.00 -0.05 0.00 0.00 56.93 57.85 1x1g s PHE 92 Cb -0.02 0.49 -0.07 0.00 -0.63 0.00 0.00 43.02 42.79 1x1g s PHE 92 CO 0.19 -0.61 -0.06 -1.59 -0.05 0.00 0.00 175.22 173.09 1x1g s LYS 93 N -2.36 1.77 -0.30 1.99 -2.85 0.17 -0.97 119.74 117.19 1x1g s LYS 93 Ca -0.02 -1.93 0.01 0.00 -1.00 0.00 0.00 55.97 53.03 1x1g s LYS 93 Cb -0.01 -1.53 0.09 0.00 -2.06 0.00 0.00 37.83 34.33 1x1g s LYS 93 CO -0.03 0.07 0.05 0.08 0.10 0.00 0.00 175.35 175.63 1x1g s VAL 94 N -2.75 1.44 -0.33 1.79 1.01 0.16 -1.34 120.40 120.38 1x1g s VAL 94 Ca 0.32 -1.64 -0.22 0.00 0.00 0.00 0.00 61.98 60.44 1x1g s VAL 94 Cb 0.04 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.42 1x1g s VAL 94 CO 0.16 -0.53 0.73 -0.63 0.00 0.00 0.00 175.10 174.83 1x1g s ILE 95 N 1.35 4.82 0.08 2.22 1.01 0.17 0.09 121.20 130.95 1x1g s ILE 95 Ca 0.07 0.96 -0.01 0.00 0.00 0.00 0.00 60.65 61.67 1x1g s ILE 95 Cb -0.18 -4.12 0.02 0.00 0.01 0.00 0.00 42.46 38.19 1x1g s ILE 95 CO -0.16 -0.28 0.11 0.35 0.00 0.00 0.00 174.94 174.97 1x1g n THR 96 N 5.57 0.00 0.42 2.92 -2.24 -1.26 0.20 114.28 119.89 1x1g n THR 96 Ca 0.02 -0.14 0.12 0.00 -2.27 0.00 0.00 64.05 61.78 1x1g n THR 96 Cb 0.48 -1.54 0.48 0.00 -2.10 0.00 0.00 70.33 67.65 1x1g n THR 96 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1x1g n LYS 97 N -1.22 0.20 -0.62 -0.78 2.85 -0.66 -1.44 118.16 116.50 1x1g n LYS 97 Ca 0.02 0.40 0.08 0.00 -1.05 0.00 0.00 58.31 57.75 1x1g n LYS 97 Cb 0.06 -1.86 0.33 0.00 -0.65 0.00 0.00 35.03 32.91 1x1g n LYS 97 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1x1g n ASP 98 N -2.22 4.54 -2.78 -5.58 8.00 -1.26 -4.89 116.55 112.35 1x1g n ASP 98 Ca 0.02 -2.51 -0.09 0.00 0.71 0.00 0.00 54.79 52.93 1x1g n ASP 98 Cb 0.25 -0.58 -0.01 0.00 -0.02 0.00 0.00 41.12 40.76 1x1g n ASP 98 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1x1g n ASP 99 N 0.88 -1.99 0.27 -2.24 2.03 -0.52 -4.79 116.55 110.21 1x1g n ASP 99 Ca 0.23 0.17 -0.16 0.00 0.52 0.00 0.00 54.79 55.56 1x1g n ASP 99 Cb 0.88 -1.77 -0.08 0.00 -0.72 0.00 0.00 41.12 39.43 1x1g n ASP 99 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1x1g h THR 100 N -0.19 0.47 -3.07 5.18 2.02 -1.88 -3.46 112.91 111.97 1x1g h THR 100 Ca -0.17 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1x1g h THR 100 Cb 1.11 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1x1g h THR 100 CO 0.22 0.04 -0.05 1.41 0.37 0.00 0.00 175.52 177.51 1x1g n HIS 101 N -5.33 -0.15 -3.52 3.16 -0.00 -1.22 -4.96 115.22 103.20 1x1g n HIS 101 Ca -0.12 0.08 -0.42 0.00 -0.00 0.00 0.00 57.72 57.27 1x1g n HIS 101 Cb 0.31 -1.59 -0.10 0.00 -0.00 0.00 0.00 29.99 28.60 1x1g n HIS 101 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1x1g s TYR 102 N -0.04 3.24 0.01 4.41 2.02 0.11 -4.81 117.35 122.29 1x1g s TYR 102 Ca -0.01 -0.75 -0.30 0.00 -0.37 0.00 0.00 57.07 55.65 1x1g s TYR 102 Cb 0.00 -2.52 -0.04 0.00 -0.40 0.00 0.00 41.96 39.00 1x1g s TYR 102 CO 0.03 -0.61 1.06 0.71 -1.57 0.00 0.00 175.55 175.16 1x1g s TYR 103 N 1.63 3.56 0.18 2.71 1.51 -1.26 0.39 117.35 126.07 1x1g s TYR 103 Ca 0.04 1.56 0.00 0.00 -1.01 0.00 0.00 57.07 57.66 1x1g s TYR 103 Cb -0.19 -3.23 -0.04 0.00 -0.11 0.00 0.00 41.96 38.39 1x1g s TYR 103 CO 0.09 -0.45 0.06 0.42 -1.11 0.00 0.00 175.55 174.56 1x1g s ILE 104 N 1.15 0.36 0.10 2.71 1.01 -0.14 -1.92 121.20 124.46 1x1g s ILE 104 Ca 0.54 -1.97 0.06 0.00 0.00 0.00 0.00 60.65 59.28 1x1g s ILE 104 Cb -0.23 -2.28 -0.03 0.00 0.01 0.00 0.00 42.46 39.92 1x1g s ILE 104 CO 0.27 -0.28 -0.16 -1.58 0.00 0.00 0.00 174.94 173.19 1x1g s GLN 105 N -4.02 0.96 0.31 2.79 2.00 -0.78 -2.92 119.66 117.99 1x1g s GLN 105 Ca 0.30 -1.10 0.08 0.00 -2.00 0.00 0.00 55.36 52.63 1x1g s GLN 105 Cb 0.07 -0.99 -0.03 0.00 0.80 0.00 0.00 33.01 32.86 1x1g s GLN 105 CO 0.07 0.21 0.23 0.00 -0.50 0.00 0.00 175.29 175.30 1x1g s ALA 106 N -1.53 3.69 0.13 1.58 0.00 -1.26 -2.93 121.76 121.43 1x1g s ALA 106 Ca 0.04 -1.60 -0.15 0.00 0.00 0.00 0.00 51.96 50.25 1x1g s ALA 106 Cb -0.08 -1.15 -0.02 0.00 0.00 0.00 0.00 23.12 21.87 1x1g s ALA 106 CO 0.03 0.10 1.60 1.03 0.00 0.00 0.00 175.76 178.52 1x1g h SER 107 N 1.39 0.65 -5.32 0.00 0.87 -1.90 -3.46 113.55 105.78 1x1g h SER 107 Ca -0.46 -0.27 -0.27 0.00 -1.23 0.00 0.00 61.79 59.57 1x1g h SER 107 Cb 1.25 -0.17 -0.15 0.00 -0.44 0.00 0.00 62.40 62.89 1x1g h SER 107 CO 0.60 0.75 -0.62 -0.44 -0.53 0.00 0.00 176.83 176.59 1x1g s SER 108 N -6.10 0.40 0.31 6.23 0.01 -1.26 -4.99 113.70 108.31 1x1g s SER 108 Ca -0.13 -1.39 0.04 0.00 1.31 0.00 0.00 55.95 55.79 1x1g s SER 108 Cb 0.10 0.33 0.66 0.00 0.21 0.00 0.00 66.02 67.32 1x1g s SER 108 CO 0.78 -0.81 1.85 0.50 0.41 0.00 0.00 173.24 175.97 1x1g h LYS 109 N 2.57 0.85 0.12 12.44 3.11 -1.89 -1.46 116.57 132.31 1x1g h LYS 109 Ca -0.37 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 57.42 1x1g h LYS 109 Cb 1.25 -0.19 0.00 0.00 -1.00 0.00 0.00 32.23 32.29 1x1g h LYS 109 CO 0.55 0.56 -0.06 0.00 -2.81 0.00 0.00 179.45 177.69 1x1g h ALA 110 N 1.57 -0.17 -1.15 5.00 0.00 -1.95 -3.02 119.26 119.54 1x1g h ALA 110 Ca 0.48 -0.23 0.40 0.00 0.00 0.00 0.00 54.91 55.56 1x1g h ALA 110 Cb 0.59 0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.29 1x1g h ALA 110 CO -0.25 -0.32 0.69 1.49 0.00 0.00 0.00 179.25 180.86 1x1g h GLU 111 N -0.70 0.11 0.05 0.00 4.57 -1.71 0.29 114.58 117.19 1x1g h GLU 111 Ca -0.02 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1x1g h GLU 111 Cb 0.52 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1x1g h GLU 111 CO 0.03 0.07 -0.02 -0.09 -1.18 0.00 0.00 179.01 177.82 1x1g h ARG 112 N 0.11 -0.07 -0.95 1.92 2.43 -1.22 0.18 114.38 116.79 1x1g h ARG 112 Ca 0.81 0.00 0.28 0.00 -0.81 0.00 0.00 59.98 60.27 1x1g h ARG 112 Cb 2.27 0.01 -0.18 0.00 -0.42 0.00 0.00 29.97 31.66 1x1g h ARG 112 CO -0.57 -0.04 0.09 0.00 -1.51 0.00 0.00 179.97 177.94 1x1g n ALA 113 N -2.04 0.56 0.37 2.80 0.00 -0.37 0.16 120.51 121.99 1x1g n ALA 113 Ca -0.01 1.01 -0.17 0.00 0.00 0.00 0.00 53.44 54.26 1x1g n ALA 113 Cb 0.03 -0.78 -0.09 0.00 0.00 0.00 0.00 19.45 18.61 1x1g n ALA 113 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1x1g h GLU 114 N 0.00 -0.90 -0.72 0.00 4.39 -0.95 1.49 114.58 117.89 1x1g h GLU 114 Ca 0.61 0.06 0.15 0.00 0.34 0.00 0.00 59.36 60.52 1x1g h GLU 114 Cb 1.33 0.21 -0.05 0.00 -0.10 0.00 0.00 28.75 30.14 1x1g h GLU 114 CO -0.87 -0.58 0.49 -1.49 -1.16 0.00 0.00 179.01 175.40 1x1g h TRP 115 N -1.02 0.40 0.00 4.33 4.06 0.32 0.25 115.95 124.29 1x1g h TRP 115 Ca -0.10 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.87 1x1g h TRP 115 Cb 0.74 -0.13 0.00 0.00 -1.00 0.00 0.00 29.16 28.77 1x1g h TRP 115 CO -0.01 0.15 0.00 -0.89 -3.56 0.00 0.00 178.44 174.13 1x1g n ILE 116 N -4.46 0.00 -0.25 1.49 5.41 0.42 -2.43 119.36 119.54 1x1g n ILE 116 Ca 0.14 0.47 0.19 0.00 1.00 0.00 0.00 62.75 64.55 1x1g n ILE 116 Cb 0.55 -1.02 0.36 0.00 -0.71 0.00 0.00 39.64 38.81 1x1g n ILE 116 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1x1g n GLU 117 N -1.05 -0.05 0.13 0.38 2.13 0.51 0.53 120.64 123.22 1x1g n GLU 117 Ca 0.00 1.06 -0.07 0.00 0.66 0.00 0.00 57.16 58.82 1x1g n GLU 117 Cb 0.00 -1.83 -0.04 0.00 0.27 0.00 0.00 31.44 29.85 1x1g n GLU 117 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1x1g h ALA 118 N 1.50 -0.96 -0.92 4.31 0.00 -0.60 -1.64 119.26 120.93 1x1g h ALA 118 Ca 0.57 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.48 1x1g h ALA 118 Cb 1.41 0.36 -0.11 0.00 0.00 0.00 0.00 17.79 19.44 1x1g h ALA 118 CO -0.62 -0.96 -0.59 0.82 0.00 0.00 0.00 179.25 177.90 1x1g h ILE 119 N -0.40 0.00 -0.97 0.00 2.04 0.43 0.63 117.51 119.24 1x1g h ILE 119 Ca -0.03 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.01 1x1g h ILE 119 Cb 0.34 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.24 1x1g h ILE 119 CO 0.01 0.00 -0.29 0.29 0.00 0.00 0.00 178.15 178.16 1x1g n LYS 120 N -5.27 -0.13 -0.14 2.37 4.01 -0.61 0.40 118.16 118.79 1x1g n LYS 120 Ca 0.01 1.50 -0.14 0.00 -0.51 0.00 0.00 58.31 59.18 1x1g n LYS 120 Cb 0.27 -2.24 -0.10 0.00 -0.51 0.00 0.00 35.03 32.45 1x1g n LYS 120 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 1x1g h LYS 121 N 0.00 -0.38 -0.29 1.97 1.57 0.13 -0.85 116.57 118.72 1x1g h LYS 121 Ca 0.42 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 59.29 1x1g h LYS 121 Cb 0.66 0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.98 1x1g h LYS 121 CO -0.99 -0.25 -0.42 -0.07 -0.57 0.00 0.00 179.45 177.15 1x1g h LEU 122 N -0.39 -1.37 -8.08 2.94 -0.00 0.39 -3.23 115.31 105.56 1x1g h LEU 122 Ca 0.07 0.20 -0.26 0.00 -0.00 0.00 0.00 57.88 57.89 1x1g h LEU 122 Cb 0.59 0.58 -0.04 0.00 -0.00 0.00 0.00 40.66 41.80 1x1g h LEU 122 CO -0.60 -0.39 0.80 0.42 -0.00 0.00 0.00 178.44 178.67 1x1g s THR 123 N -5.87 3.43 0.15 0.22 -4.23 -0.29 -4.67 115.64 104.38 1x1g s THR 123 Ca -0.15 -0.62 -0.31 0.00 -1.18 0.00 0.00 61.69 59.43 1x1g s THR 123 Cb 0.11 -4.26 -0.18 0.00 1.34 0.00 0.00 72.50 69.51 1x1g s THR 123 CO 0.65 -0.81 0.72 -0.24 -0.54 0.00 0.00 174.62 174.39 1x1g n SER 124 N 15.18 -0.67 0.00 3.99 2.88 -1.22 -4.83 113.62 128.95 1x1g n SER 124 Ca 0.43 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 59.11 1x1g n SER 124 Cb 0.46 -0.97 0.00 0.00 -0.75 0.00 0.00 64.21 62.95 1x1g n SER 124 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x1g n GLY 125 N 1.84 -0.76 3.57 0.46 0.00 -1.26 -5.09 105.19 103.95 1x1g n GLY 125 Ca 0.18 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 1x1g n GLY 125 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x1g s PRO 126 N -0.46 3.23 0.16 1.61 0.04 -1.26 -4.99 135.00 133.32 1x1g s PRO 126 Ca 0.00 0.54 0.05 0.00 0.04 0.00 0.00 61.00 61.63 1x1g s PRO 126 Cb 0.00 -4.16 -0.04 0.00 0.04 0.00 0.00 34.50 30.34 1x1g s PRO 126 CO 0.00 -2.02 0.09 -1.12 0.04 0.00 0.00 177.00 173.98 1x1g s SER 127 N 4.95 5.29 -0.06 6.66 0.01 -1.26 -5.11 113.70 124.20 1x1g s SER 127 Ca 0.56 -0.19 0.01 0.00 1.31 0.00 0.00 55.95 57.63 1x1g s SER 127 Cb -0.12 -1.32 0.02 0.00 0.21 0.00 0.00 66.02 64.81 1x1g s SER 127 CO 0.25 0.09 -0.06 -0.55 0.41 0.00 0.00 173.24 173.37 1x1g s SER 128 N -2.97 1.27 0.00 2.44 0.15 -1.26 -5.27 113.70 108.07 1x1g s SER 128 Ca 0.30 -0.18 0.11 0.00 0.70 0.00 0.00 55.95 56.87 1x1g s SER 128 Cb -0.10 -0.57 0.09 0.00 -1.71 0.00 0.00 66.02 63.72 1x1g s SER 128 CO 0.22 -0.04 0.84 0.61 1.20 0.00 0.00 173.24 176.07