#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1usq s SER 1 N 0.00 1.39 -0.12 1.61 0.15 0.44 -4.94 113.70 112.23 1usq s SER 1 Ca 0.00 -0.22 -0.13 0.00 0.70 0.00 0.00 55.95 56.30 1usq s SER 1 Cb 0.00 -0.42 -0.05 0.00 -1.71 0.00 0.00 66.02 63.84 1usq s SER 1 CO 0.00 0.07 0.31 0.12 1.20 0.00 0.00 173.24 174.94 1usq s PHE 2 N 0.27 3.54 -0.34 3.44 2.19 -1.26 -1.48 117.98 124.33 1usq s PHE 2 Ca -0.05 0.69 -0.06 0.00 0.33 0.00 0.00 56.93 57.84 1usq s PHE 2 Cb -0.10 -2.29 0.05 0.00 -1.31 0.00 0.00 43.02 39.36 1usq s PHE 2 CO 0.01 0.38 0.10 0.99 1.83 0.00 0.00 175.22 178.54 1usq s THR 3 N -0.04 3.67 0.17 0.12 2.01 0.49 -4.98 115.64 117.08 1usq s THR 3 Ca 0.18 -1.22 -0.32 0.00 0.31 0.00 0.00 61.69 60.65 1usq s THR 3 Cb -0.14 -3.11 -0.11 0.00 0.01 0.00 0.00 72.50 69.15 1usq s THR 3 CO 0.06 -0.21 1.73 -2.84 -0.69 0.00 0.00 174.62 172.68 1usq s PRO 4 N 1.37 4.14 -0.40 4.92 0.02 -1.26 -1.87 135.00 141.92 1usq s PRO 4 Ca -0.02 2.56 -0.01 0.00 0.02 0.00 0.00 61.00 63.55 1usq s PRO 4 Cb -0.20 -3.28 0.20 0.00 0.02 0.00 0.00 34.50 31.24 1usq s PRO 4 CO 0.02 -0.76 0.93 0.45 -0.33 0.00 0.00 177.00 177.31 1usq s SER 5 N 1.74 -0.77 0.00 2.53 0.15 -0.25 -4.92 113.70 112.17 1usq s SER 5 Ca 0.76 -0.81 0.00 0.00 0.70 0.00 0.00 55.95 56.60 1usq s SER 5 Cb -0.47 1.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 1usq s SER 5 CO 0.33 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.34 1usq n GLY 6 N 2.99 -0.90 3.89 9.45 0.00 -1.07 -3.61 105.19 115.95 1usq n GLY 6 Ca 0.13 -1.16 -0.24 0.00 0.00 0.00 0.00 46.02 44.75 1usq n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1usq s THR 7 N -3.00 2.04 -0.09 2.61 -4.23 -1.26 -4.64 115.64 107.07 1usq s THR 7 Ca 0.00 -1.43 0.01 0.00 -1.18 0.00 0.00 61.69 59.09 1usq s THR 7 Cb 0.00 -2.47 -0.02 0.00 1.34 0.00 0.00 72.50 71.35 1usq s THR 7 CO 0.00 0.00 -0.10 -0.89 -0.54 0.00 0.00 174.62 173.09 1usq s THR 8 N -2.66 3.39 -0.12 3.99 2.01 -1.26 -1.35 115.64 119.64 1usq s THR 8 Ca 0.41 -0.57 -0.01 0.00 0.31 0.00 0.00 61.69 61.83 1usq s THR 8 Cb -0.02 -2.40 -0.02 0.00 0.01 0.00 0.00 72.50 70.07 1usq s THR 8 CO 0.25 0.56 -0.09 -0.83 -0.69 0.00 0.00 174.62 173.81 1usq s GLY 9 N -0.30 1.62 -0.22 4.40 0.00 -0.17 -4.97 107.32 107.66 1usq s GLY 9 Ca 0.03 -0.87 -0.01 0.00 0.00 0.00 0.00 44.72 43.87 1usq s GLY 9 CO 0.03 -0.26 -0.10 -1.59 0.00 0.00 0.00 173.10 171.18 1usq s THR 10 N 0.12 2.70 -0.24 0.90 2.01 -1.26 -0.84 115.64 119.03 1usq s THR 10 Ca -0.04 -0.93 -0.14 0.00 0.31 0.00 0.00 61.69 60.88 1usq s THR 10 Cb -0.14 -2.30 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 1usq s THR 10 CO 0.04 0.32 0.33 -0.89 -0.69 0.00 0.00 174.62 173.74 1usq s THR 11 N 1.33 5.23 -0.01 -0.82 2.01 0.15 -4.93 115.64 118.59 1usq s THR 11 Ca 0.02 0.53 0.07 0.00 0.31 0.00 0.00 61.69 62.62 1usq s THR 11 Cb -0.15 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 1usq s THR 11 CO -0.07 0.23 -0.21 -0.54 -0.69 0.00 0.00 174.62 173.35 1usq s LYS 12 N 1.57 1.68 -0.09 4.92 1.02 -1.26 -0.00 119.74 127.56 1usq s LYS 12 Ca 0.15 -0.77 -0.05 0.00 0.02 0.00 0.00 55.97 55.32 1usq s LYS 12 Cb -0.15 -1.64 0.04 0.00 -0.52 0.00 0.00 37.83 35.57 1usq s LYS 12 CO 0.08 0.45 0.21 -1.17 -0.92 0.00 0.00 175.35 174.00 1usq s LEU 13 N -0.55 0.60 -0.26 3.17 2.96 0.03 -4.63 118.68 120.00 1usq s LEU 13 Ca 0.08 0.45 -0.08 0.00 -0.22 0.00 0.00 54.13 54.35 1usq s LEU 13 Cb -0.08 0.62 -0.03 0.00 0.50 0.00 0.00 46.19 47.20 1usq s LEU 13 CO -0.01 -0.15 0.10 -0.89 -1.32 0.00 0.00 176.35 174.09 1usq s THR 14 N 1.09 4.59 -0.05 3.68 2.01 -0.42 -0.26 115.64 126.27 1usq s THR 14 Ca -0.08 -0.08 -0.14 0.00 0.31 0.00 0.00 61.69 61.70 1usq s THR 14 Cb -0.10 -3.16 -0.05 0.00 0.01 0.00 0.00 72.50 69.21 1usq s THR 14 CO -0.07 0.32 0.36 -0.69 -0.69 0.00 0.00 174.62 173.85 1usq s VAL 15 N 1.63 5.15 0.36 3.82 1.01 -0.07 -1.09 120.40 131.22 1usq s VAL 15 Ca 0.06 0.71 0.05 0.00 0.00 0.00 0.00 61.98 62.81 1usq s VAL 15 Cb -0.15 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 1usq s VAL 15 CO 0.06 0.53 0.19 0.35 0.00 0.00 0.00 175.10 176.23 1usq n THR 16 N 2.27 0.00 -2.17 3.92 -2.24 0.02 -1.80 114.28 114.28 1usq n THR 16 Ca -0.14 -2.31 -0.12 0.00 -2.27 0.00 0.00 64.05 59.21 1usq n THR 16 Cb 0.53 0.96 0.07 0.00 -2.10 0.00 0.00 70.33 69.78 1usq n THR 16 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1usq n GLU 17 N -0.78 0.05 -0.29 -0.78 -0.58 -1.26 -0.76 120.64 116.23 1usq n GLU 17 Ca -0.01 -1.22 -0.05 0.00 -0.42 0.00 0.00 57.16 55.47 1usq n GLU 17 Cb 0.59 -0.40 0.07 0.00 -0.57 0.00 0.00 31.44 31.12 1usq n GLU 17 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1usq h LYS 18 N 0.00 1.10 -6.22 3.49 3.64 -1.98 -3.34 116.57 113.26 1usq h LYS 18 Ca -0.17 -0.12 -0.59 0.00 -1.27 0.00 0.00 60.65 58.51 1usq h LYS 18 Cb 0.58 -0.22 -0.10 0.00 -0.41 0.00 0.00 32.23 32.08 1usq h LYS 18 CO 0.16 0.80 0.72 0.00 -2.27 0.00 0.00 179.45 178.86 1usq s GLN 20 N 4.22 3.07 -0.36 0.00 0.74 -1.25 -5.05 119.66 121.02 1usq s GLN 20 Ca 0.37 -0.81 -0.02 0.00 0.05 0.00 0.00 55.36 54.96 1usq s GLN 20 Cb -0.10 -2.57 0.09 0.00 1.10 0.00 0.00 33.01 31.53 1usq s GLN 20 CO 0.24 -0.11 0.12 0.08 -0.55 0.00 0.00 175.29 175.07 1usq s VAL 21 N 1.07 3.07 -0.28 1.34 1.01 -1.26 -5.07 120.40 120.28 1usq s VAL 21 Ca -0.01 -1.87 -0.23 0.00 0.00 0.00 0.00 61.98 59.88 1usq s VAL 21 Cb -0.14 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 1usq s VAL 21 CO -0.06 -0.49 0.75 -0.13 0.00 0.00 0.00 175.10 175.17 1usq s ARG 22 N 1.15 4.05 -0.15 2.72 0.52 -1.26 -5.04 118.95 120.94 1usq s ARG 22 Ca 0.04 0.65 -0.00 0.00 -0.52 0.00 0.00 55.73 55.90 1usq s ARG 22 Cb -0.21 -3.69 -0.01 0.00 0.52 0.00 0.00 34.95 31.56 1usq s ARG 22 CO -0.04 -0.57 -0.14 0.08 0.02 0.00 0.00 175.30 174.65 1usq s VAL 23 N 2.80 2.81 0.00 3.52 1.01 -1.26 -5.02 120.40 124.26 1usq s VAL 23 Ca 0.31 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1usq s VAL 23 Cb -0.15 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.05 1usq s VAL 23 CO 0.10 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.33 1usq n GLY 24 N 3.92 -1.53 3.66 4.51 0.00 -1.26 -4.94 105.19 109.55 1usq n GLY 24 Ca -0.19 -1.31 -0.34 0.00 0.00 0.00 0.00 46.02 44.18 1usq n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1usq n ASP 25 N 0.07 0.73 -4.68 1.61 10.43 -1.26 -4.90 116.55 118.54 1usq n ASP 25 Ca 0.00 0.60 -0.45 0.00 2.57 0.00 0.00 54.79 57.51 1usq n ASP 25 Cb 0.00 -1.47 -0.04 0.00 1.84 0.00 0.00 41.12 41.46 1usq n ASP 25 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 1usq n LEU 26 N -2.70 3.39 -4.27 0.64 7.94 -1.26 -5.01 117.00 115.73 1usq n LEU 26 Ca 0.13 1.08 -0.15 0.00 -1.11 0.00 0.00 56.01 55.96 1usq n LEU 26 Cb 0.50 -1.47 -0.10 0.00 0.53 0.00 0.00 43.42 42.88 1usq n LEU 26 CO 0.48 -0.14 -0.26 0.42 -1.11 0.00 0.00 177.39 176.78 1usq s THR 27 N 0.98 0.41 -0.21 1.96 -4.23 -1.26 -5.11 115.64 108.18 1usq s THR 27 Ca 0.77 -1.99 -0.29 0.00 -1.18 0.00 0.00 61.69 59.00 1usq s THR 27 Cb -0.62 -2.50 -0.01 0.00 1.34 0.00 0.00 72.50 70.71 1usq s THR 27 CO 0.36 -0.09 1.34 -0.69 -0.54 0.00 0.00 174.62 175.00 1usq s VAL 28 N -3.86 4.12 0.00 2.29 1.01 -1.26 -4.99 120.40 117.71 1usq s VAL 28 Ca 0.35 1.32 0.00 0.00 0.00 0.00 0.00 61.98 63.66 1usq s VAL 28 Cb 0.07 -3.99 -0.00 0.00 0.00 0.00 0.00 36.38 32.46 1usq s VAL 28 CO 0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 175.10 174.93 1usq s ALA 29 N 4.03 0.14 0.03 5.51 0.00 -1.26 -1.30 121.76 128.90 1usq s ALA 29 Ca 0.58 -0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.42 1usq s ALA 29 Cb -0.21 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 1usq s ALA 29 CO 0.20 0.01 -0.04 0.15 0.00 0.00 0.00 175.76 176.08 1usq s LYS 30 N -0.19 0.37 0.61 0.00 1.02 -0.25 -4.95 119.74 116.34 1usq s LYS 30 Ca -0.01 -0.66 -0.14 0.00 0.02 0.00 0.00 55.97 55.18 1usq s LYS 30 Cb -0.02 0.01 -0.03 0.00 -0.52 0.00 0.00 37.83 37.27 1usq s LYS 30 CO -0.00 -0.03 1.04 0.95 -0.92 0.00 0.00 175.35 176.39 1usq s THR 31 N -1.48 4.10 0.51 2.17 -4.23 -1.26 -0.80 115.64 114.65 1usq s THR 31 Ca -0.14 0.88 0.18 0.00 -1.18 0.00 0.00 61.69 61.44 1usq s THR 31 Cb -0.10 -3.50 0.31 0.00 1.34 0.00 0.00 72.50 70.55 1usq s THR 31 CO -0.01 -0.70 2.09 0.08 -0.54 0.00 0.00 174.62 175.54 1usq h ARG 32 N 0.17 0.04 0.00 3.99 0.11 -1.24 -1.38 114.38 116.08 1usq h ARG 32 Ca -0.46 -0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.61 1usq h ARG 32 Cb 1.21 -0.01 -0.00 0.00 1.11 0.00 0.00 29.97 32.28 1usq h ARG 32 CO 0.59 0.03 -0.03 0.78 0.10 0.00 0.00 179.97 181.44 1usq h GLY 33 N 0.05 0.00 0.08 0.08 0.00 -1.85 -1.58 103.07 99.85 1usq h GLY 33 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1usq h GLY 33 CO -0.01 0.00 -0.04 -1.06 0.00 0.00 0.00 176.54 175.44 1usq n GLN 34 N -3.23 1.33 -1.66 4.80 6.02 -0.52 -4.37 117.38 119.75 1usq n GLN 34 Ca -0.02 -0.63 -0.34 0.00 -0.01 0.00 0.00 57.00 56.00 1usq n GLN 34 Cb 0.19 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.92 1usq n GLN 34 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1usq n LEU 35 N -0.29 7.59 -4.90 1.08 4.77 -0.59 -4.88 117.00 119.78 1usq n LEU 35 Ca 0.19 -4.45 -0.29 0.00 -0.03 0.00 0.00 56.01 51.43 1usq n LEU 35 Cb 0.29 -1.38 0.03 0.00 -2.33 0.00 0.00 43.42 40.03 1usq n LEU 35 CO 0.19 1.96 0.62 0.42 -1.33 0.00 0.00 177.39 179.25 1usq s THR 36 N -0.57 3.96 0.16 -5.08 -4.23 -1.26 -0.72 115.64 107.91 1usq s THR 36 Ca 0.59 0.33 -0.34 0.00 -1.18 0.00 0.00 61.69 61.09 1usq s THR 36 Cb 0.24 -3.59 -0.14 0.00 1.34 0.00 0.00 72.50 70.35 1usq s THR 36 CO -0.11 -0.69 1.55 -0.67 -0.54 0.00 0.00 174.62 174.16 1usq n ASP 37 N -2.70 2.95 0.00 3.99 2.03 -1.26 -1.60 116.55 119.97 1usq n ASP 37 Ca 0.05 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.45 1usq n ASP 37 Cb 0.56 -1.41 0.00 0.00 -0.72 0.00 0.00 41.12 39.56 1usq n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1usq n ALA 38 N 3.25 0.00 -1.73 -1.67 0.00 0.43 -4.92 120.51 115.87 1usq n ALA 38 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.19 1usq n ALA 38 Cb 0.28 -0.59 -0.02 0.00 0.00 0.00 0.00 19.45 19.12 1usq n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1usq n ALA 39 N 1.00 2.60 -2.26 0.00 0.00 -0.63 -4.55 120.51 116.68 1usq n ALA 39 Ca 0.00 0.39 -0.41 0.00 0.00 0.00 0.00 53.44 53.41 1usq n ALA 39 Cb 0.14 -2.48 -0.04 0.00 0.00 0.00 0.00 19.45 17.07 1usq n ALA 39 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1usq s PRO 40 N 0.17 4.53 -0.21 0.00 0.04 -1.26 -0.59 135.00 137.68 1usq s PRO 40 Ca 0.69 1.71 -0.05 0.00 0.04 0.00 0.00 61.00 63.38 1usq s PRO 40 Cb -0.51 -3.32 -0.20 0.00 0.04 0.00 0.00 34.50 30.51 1usq s PRO 40 CO 0.42 -0.06 0.01 -0.89 0.04 0.00 0.00 177.00 176.52 1usq n ILE 41 N 3.08 1.60 0.00 0.56 5.41 0.63 -4.92 119.36 125.73 1usq n ILE 41 Ca 0.05 -0.53 0.00 0.00 1.00 0.00 0.00 62.75 63.28 1usq n ILE 41 Cb 0.47 -1.65 0.00 0.00 -0.71 0.00 0.00 39.64 37.75 1usq n ILE 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1usq n GLY 42 N 1.96 1.83 3.89 7.39 0.00 -1.18 -5.03 105.19 114.05 1usq n GLY 42 Ca -0.41 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.37 1usq n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1usq s PRO 43 N -2.00 3.72 -0.17 1.61 0.04 -1.26 -1.77 135.00 135.16 1usq s PRO 43 Ca 0.00 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.31 1usq s PRO 43 Cb 0.00 -2.50 0.04 0.00 0.04 0.00 0.00 34.50 32.08 1usq s PRO 43 CO 0.00 0.07 -0.09 0.08 0.04 0.00 0.00 177.00 177.10 1usq s VAL 44 N -2.25 1.40 0.34 -0.36 1.01 0.62 -4.95 120.40 116.21 1usq s VAL 44 Ca 0.48 -0.77 -0.26 0.00 0.00 0.00 0.00 61.98 61.43 1usq s VAL 44 Cb -0.10 -1.48 -0.09 0.00 0.00 0.00 0.00 36.38 34.70 1usq s VAL 44 CO 0.31 0.21 1.00 0.42 0.00 0.00 0.00 175.10 177.04 1usq s THR 45 N 1.52 3.93 -0.05 3.92 -4.23 -1.26 -0.70 115.64 118.76 1usq s THR 45 Ca 0.01 1.62 0.00 0.00 -1.18 0.00 0.00 61.69 62.14 1usq s THR 45 Cb -0.15 -3.91 0.02 0.00 1.34 0.00 0.00 72.50 69.80 1usq s THR 45 CO -0.08 0.15 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.43 1usq s VAL 46 N -1.54 0.46 -0.22 2.29 1.01 0.08 -4.94 120.40 117.55 1usq s VAL 46 Ca 0.51 -0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.44 1usq s VAL 46 Cb -0.22 -0.54 0.07 0.00 0.00 0.00 0.00 36.38 35.69 1usq s VAL 46 CO 0.28 0.23 0.07 -1.10 0.00 0.00 0.00 175.10 174.58 1usq s GLN 47 N 1.31 0.50 -0.01 2.72 -1.52 -1.26 -0.31 119.66 121.08 1usq s GLN 47 Ca -0.05 -0.49 -0.05 0.00 -1.95 0.00 0.00 55.36 52.82 1usq s GLN 47 Cb -0.13 -1.91 -0.04 0.00 -0.22 0.00 0.00 33.01 30.70 1usq s GLN 47 CO -0.02 -0.76 0.22 0.00 -0.25 0.00 0.00 175.29 174.48 1usq s ALA 48 N 1.90 3.90 -0.01 6.09 0.00 -0.48 -5.00 121.76 128.16 1usq s ALA 48 Ca 0.03 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.34 1usq s ALA 48 Cb -0.17 -1.98 0.00 0.00 0.00 0.00 0.00 23.12 20.98 1usq s ALA 48 CO -0.15 0.69 -0.06 -0.51 0.00 0.00 0.00 175.76 175.73 1usq s LEU 49 N -1.77 1.88 -0.77 0.00 1.02 -1.26 -4.57 118.68 113.20 1usq s LEU 49 Ca 0.26 -0.11 0.00 0.00 0.02 0.00 0.00 54.13 54.30 1usq s LEU 49 Cb -0.13 -0.33 0.00 0.00 0.02 0.00 0.00 46.19 45.75 1usq s LEU 49 CO 0.16 0.05 0.00 0.61 0.02 0.00 0.00 176.35 177.19 1usq n GLY 50 N 3.14 0.47 1.28 -3.19 0.00 -1.26 -4.94 105.19 100.69 1usq n GLY 50 Ca -0.15 -0.60 -0.06 0.00 0.00 0.00 0.00 46.02 45.20 1usq n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1usq h ASP 52 N 1.05 0.00 -0.05 0.00 3.04 -1.92 -1.68 116.42 116.85 1usq h ASP 52 Ca 0.26 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.05 1usq h ASP 52 Cb 1.79 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.08 1usq h ASP 52 CO 0.47 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.67 1usq n ALA 53 N -2.37 2.31 -2.28 4.15 0.00 -1.26 -3.67 120.51 117.39 1usq n ALA 53 Ca 0.01 -2.18 -0.15 0.00 0.00 0.00 0.00 53.44 51.12 1usq n ALA 53 Cb 0.28 -0.35 -0.10 0.00 0.00 0.00 0.00 19.45 19.28 1usq n ALA 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1usq s ARG 54 N -2.40 1.14 -0.38 0.00 1.81 -0.68 -4.93 118.95 113.51 1usq s ARG 54 Ca 0.27 -1.50 -0.18 0.00 -1.72 0.00 0.00 55.73 52.60 1usq s ARG 54 Cb 0.22 -0.75 0.01 0.00 -0.45 0.00 0.00 34.95 33.98 1usq s ARG 54 CO 0.04 0.10 0.51 -0.65 -0.68 0.00 0.00 175.30 174.62 1usq s GLN 55 N -3.72 3.45 0.34 3.54 -0.21 -1.26 -2.07 119.66 119.71 1usq s GLN 55 Ca 0.19 -0.34 -0.29 0.00 0.02 0.00 0.00 55.36 54.94 1usq s GLN 55 Cb 0.02 -3.87 -0.12 0.00 1.00 0.00 0.00 33.01 30.04 1usq s GLN 55 CO 0.02 -0.75 1.45 0.28 -2.12 0.00 0.00 175.29 174.17 1usq n VAL 56 N 5.50 1.68 -3.83 1.09 0.31 -1.26 -1.28 118.33 120.54 1usq n VAL 56 Ca -0.05 -0.42 -0.10 0.00 -0.01 0.00 0.00 64.34 63.76 1usq n VAL 56 Cb 0.48 -1.81 -0.08 0.00 -0.91 0.00 0.00 33.84 31.53 1usq n VAL 56 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1usq s ALA 57 N -0.76 -0.39 -0.08 3.52 0.00 -0.39 -0.68 121.76 122.97 1usq s ALA 57 Ca 0.58 -0.31 0.03 0.00 0.00 0.00 0.00 51.96 52.25 1usq s ALA 57 Cb -0.52 0.35 0.01 0.00 0.00 0.00 0.00 23.12 22.95 1usq s ALA 57 CO 0.59 -0.41 -0.16 -0.51 0.00 0.00 0.00 175.76 175.26 1usq s LEU 58 N -2.30 1.78 -0.16 0.00 2.01 -0.29 -1.19 118.68 118.53 1usq s LEU 58 Ca -0.02 -0.39 -0.03 0.00 0.01 0.00 0.00 54.13 53.69 1usq s LEU 58 Cb 0.01 -1.03 -0.02 0.00 0.01 0.00 0.00 46.19 45.15 1usq s LEU 58 CO -0.06 0.07 -0.05 -0.75 1.01 0.00 0.00 176.35 176.57 1usq s LYS 59 N 0.62 3.58 0.33 1.70 2.20 -0.12 -0.62 119.74 127.44 1usq s LYS 59 Ca -0.15 -0.56 -0.21 0.00 -0.36 0.00 0.00 55.97 54.69 1usq s LYS 59 Cb -0.16 -2.89 -0.10 0.00 -1.51 0.00 0.00 37.83 33.17 1usq s LYS 59 CO 0.04 0.17 0.85 0.00 -0.36 0.00 0.00 175.35 176.05 1usq s ALA 60 N 0.54 3.24 0.65 3.13 0.00 0.01 -0.61 121.76 128.72 1usq s ALA 60 Ca -0.04 0.30 -0.18 0.00 0.00 0.00 0.00 51.96 52.04 1usq s ALA 60 Cb -0.15 -3.00 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 1usq s ALA 60 CO 0.03 0.23 1.10 -0.25 0.00 0.00 0.00 175.76 176.88 1usq n ASP 61 N 0.08 1.25 -0.35 0.00 9.92 -0.83 -4.85 116.55 121.76 1usq n ASP 61 Ca 0.03 0.78 0.14 0.00 -0.53 0.00 0.00 54.79 55.21 1usq n ASP 61 Cb 0.52 -1.46 0.34 0.00 -0.64 0.00 0.00 41.12 39.87 1usq n ASP 61 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1usq h THR 62 N 0.31 0.66 0.00 -3.53 2.02 -1.94 0.12 112.91 110.55 1usq h THR 62 Ca -0.49 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.44 1usq h THR 62 Cb 1.35 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1usq h THR 62 CO 0.51 0.13 0.00 0.47 0.37 0.00 0.00 175.52 177.00 1usq n ASP 63 N -4.80 0.00 -0.55 4.18 8.00 -1.26 -3.33 116.55 118.79 1usq n ASP 63 Ca 0.24 -0.50 0.05 0.00 0.71 0.00 0.00 54.79 55.30 1usq n ASP 63 Cb 0.62 -0.04 0.11 0.00 -0.02 0.00 0.00 41.12 41.78 1usq n ASP 63 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1usq n ASN 64 N -1.04 2.50 -3.88 -2.24 3.02 0.41 -4.74 115.26 109.28 1usq n ASN 64 Ca 0.13 -1.77 -0.09 0.00 -0.03 0.00 0.00 54.58 52.81 1usq n ASN 64 Cb 0.08 -0.13 -0.06 0.00 -0.61 0.00 0.00 39.78 39.05 1usq n ASN 64 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1usq s PHE 65 N -0.97 0.22 0.00 3.10 -0.12 -1.21 -1.07 117.98 117.94 1usq s PHE 65 Ca 0.19 -0.59 0.00 0.00 -0.05 0.00 0.00 56.93 56.48 1usq s PHE 65 Cb 0.11 0.05 0.00 0.00 -0.63 0.00 0.00 43.02 42.54 1usq s PHE 65 CO 0.15 -0.72 0.00 -1.91 -0.05 0.00 0.00 175.22 172.68 1usq n GLU 66 N -0.21 0.00 -2.45 1.99 2.13 -0.60 -4.99 120.64 116.51 1usq n GLU 66 Ca -0.10 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.53 1usq n GLU 66 Cb 0.63 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.33 1usq n GLU 66 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1usq n GLN 67 N -0.05 -1.99 -1.13 5.31 7.27 -1.26 -0.47 117.38 125.06 1usq n GLN 67 Ca 0.00 0.94 -0.04 0.00 0.07 0.00 0.00 57.00 57.96 1usq n GLN 67 Cb 0.00 -5.61 -0.02 0.00 2.41 0.00 0.00 30.24 27.02 1usq n GLN 67 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1usq n GLY 68 N -1.02 0.72 3.36 1.69 0.00 -1.26 -5.03 105.19 103.65 1usq n GLY 68 Ca -0.22 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 1usq n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1usq s LYS 69 N -2.01 2.11 0.13 1.61 1.02 0.38 -5.03 119.74 117.95 1usq s LYS 69 Ca 0.00 -0.93 0.04 0.00 0.02 0.00 0.00 55.97 55.10 1usq s LYS 69 Cb 0.00 -2.10 -0.04 0.00 -0.52 0.00 0.00 37.83 35.17 1usq s LYS 69 CO 0.00 0.56 0.14 -0.06 -0.92 0.00 0.00 175.35 175.07 1usq s PHE 70 N -0.70 3.23 -0.09 3.18 0.40 -1.26 -1.55 117.98 121.18 1usq s PHE 70 Ca 0.11 0.05 -0.30 0.00 -0.60 0.00 0.00 56.93 56.19 1usq s PHE 70 Cb -0.10 -1.58 0.07 0.00 0.51 0.00 0.00 43.02 41.92 1usq s PHE 70 CO 0.01 0.52 0.69 -0.59 0.70 0.00 0.00 175.22 176.55 1usq s PHE 71 N -1.61 -0.68 0.41 0.36 -0.12 -0.23 -1.81 117.98 114.31 1usq s PHE 71 Ca 0.31 1.26 -0.24 0.00 -0.05 0.00 0.00 56.93 58.21 1usq s PHE 71 Cb -0.11 0.39 -0.09 0.00 -0.63 0.00 0.00 43.02 42.58 1usq s PHE 71 CO 0.24 -0.56 1.05 -0.51 -0.05 0.00 0.00 175.22 175.39 1usq s LEU 72 N -0.91 4.10 0.00 -1.99 1.02 0.00 -4.53 118.68 116.37 1usq s LEU 72 Ca -0.09 2.04 0.07 0.00 0.02 0.00 0.00 54.13 56.18 1usq s LEU 72 Cb -0.01 -4.23 -0.02 0.00 0.02 0.00 0.00 46.19 41.95 1usq s LEU 72 CO 0.08 -0.54 -0.23 -0.51 0.02 0.00 0.00 176.35 175.17 1usq s ILE 73 N -1.69 1.80 0.95 -0.59 1.10 -0.45 -1.03 121.20 121.30 1usq s ILE 73 Ca 0.59 -1.06 -0.12 0.00 -0.51 0.00 0.00 60.65 59.55 1usq s ILE 73 Cb -0.22 -1.52 0.16 0.00 0.15 0.00 0.00 42.46 41.03 1usq s ILE 73 CO 0.27 0.43 1.09 -0.94 -2.11 0.00 0.00 174.94 173.68 1usq s SER 74 N -0.75 2.98 0.42 4.50 1.04 -0.36 -1.06 113.70 120.48 1usq s SER 74 Ca 0.09 1.44 0.11 0.00 0.48 0.00 0.00 55.95 58.07 1usq s SER 74 Cb -0.09 -2.12 0.95 0.00 0.10 0.00 0.00 66.02 64.87 1usq s SER 74 CO 0.00 -2.94 2.00 0.44 0.98 0.00 0.00 173.24 173.72 1usq h ASP 75 N -1.76 0.43 -0.20 7.02 3.32 -1.46 -1.23 116.42 122.54 1usq h ASP 75 Ca -0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1usq h ASP 75 Cb 1.30 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1usq h ASP 75 CO 0.54 0.27 0.00 -0.46 -1.72 0.00 0.00 179.24 177.88 1usq n ASN 76 N -4.47 1.33 -0.14 6.45 2.04 -1.26 -4.90 115.26 114.30 1usq n ASN 76 Ca 0.08 -1.82 -0.02 0.00 -0.44 0.00 0.00 54.58 52.38 1usq n ASN 76 Cb 0.28 -0.13 -0.01 0.00 -2.53 0.00 0.00 39.78 37.39 1usq n ASN 76 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1usq n ASN 77 N 0.16 -4.79 -0.12 0.53 4.05 -0.47 -4.88 115.26 109.75 1usq n ASN 77 Ca 0.12 0.04 -0.18 0.00 0.45 0.00 0.00 54.58 55.02 1usq n ASN 77 Cb 0.24 -2.45 -0.12 0.00 1.23 0.00 0.00 39.78 38.68 1usq n ASN 77 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07 1usq n ARG 78 N -0.86 0.66 -4.11 1.20 0.63 -1.26 -4.89 116.66 108.03 1usq n ARG 78 Ca -0.02 0.15 -0.35 0.00 -0.92 0.00 0.00 57.85 56.72 1usq n ARG 78 Cb 0.32 -1.53 -0.09 0.00 0.45 0.00 0.00 32.46 31.61 1usq n ARG 78 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1usq s ASP 79 N -6.53 5.60 -0.02 6.15 1.01 -1.26 -4.96 116.67 116.65 1usq s ASP 79 Ca -0.34 0.15 0.00 0.00 0.71 0.00 0.00 52.55 53.08 1usq s ASP 79 Cb 0.09 -1.84 -0.04 0.00 1.01 0.00 0.00 42.92 42.14 1usq s ASP 79 CO 0.62 0.27 0.02 -0.54 0.21 0.00 0.00 175.17 175.75 1usq s LYS 80 N -0.21 2.89 -0.33 8.23 1.02 -1.26 -1.22 119.74 128.86 1usq s LYS 80 Ca 0.07 -0.54 0.02 0.00 0.02 0.00 0.00 55.97 55.54 1usq s LYS 80 Cb -0.12 -2.74 0.10 0.00 -0.52 0.00 0.00 37.83 34.55 1usq s LYS 80 CO 0.01 0.64 0.08 -1.17 -0.92 0.00 0.00 175.35 174.00 1usq s LEU 81 N -1.49 3.65 0.26 3.17 2.96 -0.20 -4.97 118.68 122.06 1usq s LEU 81 Ca 0.19 -1.96 -0.30 0.00 -0.22 0.00 0.00 54.13 51.85 1usq s LEU 81 Cb -0.12 -1.29 -0.10 0.00 0.50 0.00 0.00 46.19 45.18 1usq s LEU 81 CO 0.10 -0.39 1.41 -0.31 -1.32 0.00 0.00 176.35 175.83 1usq s TYR 82 N 1.18 3.04 0.09 5.38 1.51 -1.26 -0.82 117.35 126.47 1usq s TYR 82 Ca 0.11 1.11 0.02 0.00 -1.01 0.00 0.00 57.07 57.29 1usq s TYR 82 Cb -0.18 -3.78 -0.04 0.00 -0.11 0.00 0.00 41.96 37.84 1usq s TYR 82 CO -0.15 -2.48 -0.07 0.14 -1.11 0.00 0.00 175.55 171.88 1usq s VAL 83 N -0.19 0.68 -0.10 0.71 -7.23 -0.75 -0.71 120.40 112.81 1usq s VAL 83 Ca 0.57 -1.87 -0.03 0.00 -1.81 0.00 0.00 61.98 58.84 1usq s VAL 83 Cb -0.41 -1.60 -0.03 0.00 0.56 0.00 0.00 36.38 34.90 1usq s VAL 83 CO 0.45 -0.84 0.03 0.20 -0.31 0.00 0.00 175.10 174.63 1usq s ASN 84 N -2.93 5.44 -0.21 4.85 0.01 0.11 -4.31 114.94 117.90 1usq s ASN 84 Ca 0.10 0.19 -0.04 0.00 -0.71 0.00 0.00 52.86 52.40 1usq s ASN 84 Cb 0.04 -1.61 -0.01 0.00 0.41 0.00 0.00 41.25 40.07 1usq s ASN 84 CO -0.04 0.36 -0.03 -0.63 -1.51 0.00 0.00 177.10 175.25 1usq s ILE 85 N -0.79 3.55 -0.15 0.60 1.01 -1.26 -1.52 121.20 122.63 1usq s ILE 85 Ca 0.12 -0.44 -0.07 0.00 0.00 0.00 0.00 60.65 60.26 1usq s ILE 85 Cb -0.12 -2.60 0.06 0.00 0.01 0.00 0.00 42.46 39.82 1usq s ILE 85 CO 0.02 0.43 0.35 -0.60 0.00 0.00 0.00 174.94 175.15 1usq s ARG 86 N 1.23 0.30 0.48 2.79 3.52 -0.58 -4.98 118.95 121.71 1usq s ARG 86 Ca 0.03 0.77 -0.23 0.00 -0.13 0.00 0.00 55.73 56.17 1usq s ARG 86 Cb -0.14 0.02 -0.07 0.00 -1.56 0.00 0.00 34.95 33.20 1usq s ARG 86 CO -0.01 -0.20 1.31 -1.25 -0.81 0.00 0.00 175.30 174.35 1usq s PRO 87 N 1.75 3.52 0.47 5.12 0.04 -1.26 -0.76 135.00 143.88 1usq s PRO 87 Ca -0.06 2.14 0.30 0.00 0.04 0.00 0.00 61.00 63.41 1usq s PRO 87 Cb -0.10 -2.45 1.06 0.00 0.04 0.00 0.00 34.50 33.05 1usq s PRO 87 CO -0.11 -0.85 1.85 1.79 0.04 0.00 0.00 177.00 179.72 1usq h THR 88 N 1.86 0.00 -3.97 1.26 1.35 -1.47 -3.45 112.91 108.49 1usq h THR 88 Ca -0.50 -0.58 -0.15 0.00 -0.55 0.00 0.00 66.41 64.63 1usq h THR 88 Cb 1.27 1.54 0.03 0.00 -1.73 0.00 0.00 68.15 69.26 1usq h THR 88 CO 0.59 0.00 0.04 -0.90 -0.25 0.00 0.00 175.52 175.00 1usq n ASP 89 N -2.92 0.43 -1.14 5.36 3.85 -1.26 -5.00 116.55 115.86 1usq n ASP 89 Ca 0.02 -1.36 0.05 0.00 -0.71 0.00 0.00 54.79 52.79 1usq n ASP 89 Cb 0.35 -0.21 0.22 0.00 -1.35 0.00 0.00 41.12 40.14 1usq n ASP 89 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1usq n ASN 90 N -2.97 3.27 -4.78 -1.12 3.02 -1.26 -4.96 115.26 106.46 1usq n ASN 90 Ca 0.05 -2.36 -0.34 0.00 -0.03 0.00 0.00 54.58 51.90 1usq n ASN 90 Cb 0.19 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 1usq n ASN 90 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1usq s SER 91 N -0.63 5.77 -0.18 6.41 1.04 -1.26 -5.02 113.70 119.82 1usq s SER 91 Ca 0.31 2.08 -0.13 0.00 0.48 0.00 0.00 55.95 58.69 1usq s SER 91 Cb 0.21 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.71 1usq s SER 91 CO 0.13 -1.18 0.24 0.00 0.98 0.00 0.00 173.24 173.41 1usq s ALA 92 N -1.93 3.62 0.27 5.32 0.00 -1.26 -4.89 121.76 122.89 1usq s ALA 92 Ca 0.70 -0.57 0.05 0.00 0.00 0.00 0.00 51.96 52.14 1usq s ALA 92 Cb -0.21 -2.35 -0.06 0.00 0.00 0.00 0.00 23.12 20.50 1usq s ALA 92 CO 0.28 0.04 -0.02 -1.58 0.00 0.00 0.00 175.76 174.49 1usq s TRP 93 N 0.58 1.83 0.01 0.00 0.52 -1.26 -0.92 118.94 119.69 1usq s TRP 93 Ca 0.13 -0.82 0.03 0.00 0.02 0.00 0.00 56.10 55.46 1usq s TRP 93 Cb -0.13 -1.09 -0.01 0.00 -1.15 0.00 0.00 33.47 31.10 1usq s TRP 93 CO 0.03 0.12 -0.10 0.99 0.02 0.00 0.00 176.95 178.01 1usq s THR 94 N -3.20 0.76 -0.21 2.01 2.01 0.98 -4.86 115.64 113.14 1usq s THR 94 Ca 0.31 -0.62 -0.10 0.00 0.31 0.00 0.00 61.69 61.59 1usq s THR 94 Cb 0.05 -0.68 -0.05 0.00 0.01 0.00 0.00 72.50 71.84 1usq s THR 94 CO 0.12 0.07 0.13 -0.89 -0.69 0.00 0.00 174.62 173.35 1usq s THR 95 N -0.52 5.29 -0.30 -0.82 2.01 -1.26 -0.83 115.64 119.22 1usq s THR 95 Ca 0.01 0.15 -0.01 0.00 0.31 0.00 0.00 61.69 62.15 1usq s THR 95 Cb -0.05 -3.42 0.13 0.00 0.01 0.00 0.00 72.50 69.16 1usq s THR 95 CO 0.00 0.42 0.25 -0.62 -0.69 0.00 0.00 174.62 173.98 1usq s ASP 96 N 0.52 2.27 -1.08 3.53 3.68 0.67 -4.98 116.67 121.28 1usq s ASP 96 Ca 0.07 -1.06 -0.20 0.00 2.13 0.00 0.00 52.55 53.49 1usq s ASP 96 Cb -0.12 0.20 0.01 0.00 -1.45 0.00 0.00 42.92 41.56 1usq s ASP 96 CO -0.00 -0.39 0.73 -3.20 0.13 0.00 0.00 175.17 172.44 1usq n ASN 97 N 5.14 -5.13 0.00 -0.34 5.15 -1.26 -1.87 115.26 116.94 1usq n ASN 97 Ca -0.01 -1.02 0.00 0.00 -0.60 0.00 0.00 54.58 52.95 1usq n ASN 97 Cb 0.44 -2.80 0.00 0.00 -0.53 0.00 0.00 39.78 36.89 1usq n ASN 97 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1usq n GLY 98 N -1.79 1.45 3.52 8.20 0.00 -1.26 -5.01 105.19 110.29 1usq n GLY 98 Ca -0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 1usq n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1usq s VAL 99 N -3.24 3.71 -0.34 1.61 1.01 -0.78 -0.81 120.40 121.56 1usq s VAL 99 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1usq s VAL 99 Cb 0.00 -2.58 0.08 0.00 0.00 0.00 0.00 36.38 33.89 1usq s VAL 99 CO 0.00 0.54 0.06 0.12 0.00 0.00 0.00 175.10 175.82 1usq s PHE 100 N -0.10 3.52 0.15 5.22 5.36 0.21 -0.24 117.98 132.09 1usq s PHE 100 Ca 0.01 -2.44 0.11 0.00 -0.96 0.00 0.00 56.93 53.65 1usq s PHE 100 Cb -0.13 -2.68 -0.04 0.00 -0.34 0.00 0.00 43.02 39.83 1usq s PHE 100 CO 0.03 -0.91 -0.24 1.52 -1.46 0.00 0.00 175.22 174.16 1usq s TYR 101 N 1.09 2.37 0.16 10.12 1.13 -0.01 -1.14 117.35 131.07 1usq s TYR 101 Ca 0.03 -0.34 -0.30 0.00 -1.41 0.00 0.00 57.07 55.05 1usq s TYR 101 Cb -0.20 -1.24 -0.07 0.00 -1.10 0.00 0.00 41.96 39.34 1usq s TYR 101 CO -0.05 0.40 1.02 0.21 -2.51 0.00 0.00 175.55 174.62 1usq s LYS 102 N -2.28 4.68 0.55 -3.49 2.20 0.14 -0.01 119.74 121.54 1usq s LYS 102 Ca 0.17 1.57 0.33 0.00 -0.36 0.00 0.00 55.97 57.68 1usq s LYS 102 Cb -0.09 -3.32 1.55 0.00 -1.51 0.00 0.00 37.83 34.46 1usq s LYS 102 CO 0.08 0.20 2.07 -0.91 -0.36 0.00 0.00 175.35 176.44 1usq h ASN 103 N 5.14 0.00 -4.17 1.43 -0.26 -1.36 -3.43 115.58 112.93 1usq h ASN 103 Ca -0.44 0.00 -0.66 0.00 -0.56 0.00 0.00 56.30 54.64 1usq h ASN 103 Cb 1.21 0.00 -0.25 0.00 -1.06 0.00 0.00 38.32 38.22 1usq h ASN 103 CO 0.71 0.07 -0.87 -1.81 -1.06 0.00 0.00 177.43 174.48 1usq s ASP 104 N -5.80 3.04 0.80 5.81 1.01 -1.26 -5.07 116.67 115.20 1usq s ASP 104 Ca -0.01 -0.64 -0.10 0.00 0.71 0.00 0.00 52.55 52.50 1usq s ASP 104 Cb 0.11 -0.24 0.07 0.00 1.01 0.00 0.00 42.92 43.87 1usq s ASP 104 CO 0.54 0.20 1.10 0.68 0.21 0.00 0.00 175.17 177.90 1usq s VAL 105 N -0.91 3.13 0.00 -1.27 -7.23 -1.26 -4.57 120.40 108.29 1usq s VAL 105 Ca 0.11 0.37 0.00 0.00 -1.81 0.00 0.00 61.98 60.65 1usq s VAL 105 Cb -0.10 -2.79 0.00 0.00 0.56 0.00 0.00 36.38 34.05 1usq s VAL 105 CO 0.03 -0.48 0.00 0.61 -0.31 0.00 0.00 175.10 174.95 1usq n GLY 106 N -1.02 4.63 2.90 2.32 0.00 -0.88 -4.94 105.19 108.20 1usq n GLY 106 Ca 0.09 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 1usq n GLY 106 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1usq n SER 107 N 0.00 4.29 -4.77 1.61 7.64 -1.23 -4.47 113.62 116.69 1usq n SER 107 Ca 0.00 -2.91 -0.39 0.00 1.01 0.00 0.00 58.87 56.58 1usq n SER 107 Cb 0.00 -1.64 -0.01 0.00 -1.01 0.00 0.00 64.21 61.56 1usq n SER 107 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 1usq s TRP 108 N 2.76 2.86 0.03 1.43 -0.00 -1.26 -4.64 118.94 120.11 1usq s TRP 108 Ca 0.46 1.45 0.07 0.00 -0.00 0.00 0.00 56.10 58.08 1usq s TRP 108 Cb 0.11 -3.60 -0.02 0.00 -0.00 0.00 0.00 33.47 29.96 1usq s TRP 108 CO -0.05 -1.93 -0.19 0.20 -0.00 0.00 0.00 176.95 174.98 1usq s GLY 109 N -0.85 1.02 0.00 5.86 0.00 -1.26 -1.38 107.32 110.71 1usq s GLY 109 Ca 0.58 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 44.33 1usq s GLY 109 CO 0.46 -0.88 0.00 0.61 0.00 0.00 0.00 173.10 173.29 1usq n GLY 110 N 2.02 -1.44 3.41 0.20 0.00 0.58 -4.99 105.19 104.97 1usq n GLY 110 Ca -0.17 -1.02 -0.33 0.00 0.00 0.00 0.00 46.02 44.50 1usq n GLY 110 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1usq s ILE 111 N -2.41 3.32 -0.28 -0.61 -1.09 -1.26 -0.74 121.20 118.13 1usq s ILE 111 Ca 0.00 -0.57 -0.07 0.00 -2.23 0.00 0.00 60.65 57.78 1usq s ILE 111 Cb 0.00 -2.41 -0.01 0.00 -1.58 0.00 0.00 42.46 38.46 1usq s ILE 111 CO 0.00 0.52 0.08 -0.63 -1.23 0.00 0.00 174.94 173.68 1usq s ILE 112 N 0.33 4.16 0.10 2.92 -1.09 0.12 -1.06 121.20 126.67 1usq s ILE 112 Ca -0.09 -0.46 -0.16 0.00 -2.23 0.00 0.00 60.65 57.72 1usq s ILE 112 Cb -0.15 -3.06 -0.07 0.00 -1.58 0.00 0.00 42.46 37.60 1usq s ILE 112 CO 0.05 0.18 0.53 -0.83 -1.23 0.00 0.00 174.94 173.64 1usq s GLY 113 N 1.56 2.54 -0.22 6.18 0.00 0.06 -0.27 107.32 117.16 1usq s GLY 113 Ca 0.04 -0.09 -0.05 0.00 0.00 0.00 0.00 44.72 44.63 1usq s GLY 113 CO 0.03 0.25 -0.02 -0.42 0.00 0.00 0.00 173.10 172.94 1usq s ILE 114 N -1.28 3.61 0.06 0.90 -1.09 -0.73 -1.52 121.20 121.16 1usq s ILE 114 Ca 0.32 -0.42 0.06 0.00 -2.23 0.00 0.00 60.65 58.39 1usq s ILE 114 Cb -0.17 -2.65 -0.03 0.00 -1.58 0.00 0.00 42.46 38.04 1usq s ILE 114 CO 0.18 0.41 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.83 1usq s TYR 115 N 1.42 1.44 0.15 3.97 2.02 -0.58 -0.26 117.35 125.51 1usq s TYR 115 Ca 0.05 -0.40 -0.31 0.00 -0.37 0.00 0.00 57.07 56.03 1usq s TYR 115 Cb -0.14 -0.82 -0.10 0.00 -0.40 0.00 0.00 41.96 40.49 1usq s TYR 115 CO -0.01 0.09 1.57 0.08 -1.57 0.00 0.00 175.55 175.71 1usq s VAL 116 N -1.05 2.68 -0.62 0.71 1.01 0.25 0.07 120.40 123.44 1usq s VAL 116 Ca 0.02 0.46 -0.13 0.00 0.00 0.00 0.00 61.98 62.34 1usq s VAL 116 Cb -0.09 -3.29 0.16 0.00 0.00 0.00 0.00 36.38 33.15 1usq s VAL 116 CO 0.02 0.03 0.54 -0.62 0.00 0.00 0.00 175.10 175.08 1usq s ASP 117 N 1.27 6.18 0.00 3.32 2.15 0.11 -0.43 116.67 129.27 1usq s ASP 117 Ca 0.70 -2.19 0.00 0.00 0.43 0.00 0.00 52.55 51.49 1usq s ASP 117 Cb -0.43 -2.13 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 1usq s ASP 117 CO 0.31 -0.69 0.00 0.61 -0.17 0.00 0.00 175.17 175.23 1usq n GLY 118 N 4.63 -1.56 3.68 2.66 0.00 -1.26 -4.74 105.19 108.59 1usq n GLY 118 Ca -0.02 -1.25 -0.45 0.00 0.00 0.00 0.00 46.02 44.30 1usq n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1usq n GLN 119 N 0.01 2.14 -2.66 1.61 -0.00 -1.26 -4.34 117.38 112.86 1usq n GLN 119 Ca 0.00 0.76 -0.09 0.00 -0.00 0.00 0.00 57.00 57.67 1usq n GLN 119 Cb 0.00 -2.47 0.03 0.00 -0.00 0.00 0.00 30.24 27.80 1usq n GLN 119 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1usq n GLN 120 N 2.54 1.53 0.00 2.61 6.02 0.10 -4.89 117.38 125.29 1usq n GLN 120 Ca 0.13 -3.44 0.07 0.00 -0.01 0.00 0.00 57.00 53.76 1usq n GLN 120 Cb 0.31 -1.43 0.43 0.00 1.02 0.00 0.00 30.24 30.57 1usq n GLN 120 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1usq n THR 121 N -0.22 0.13 -0.34 5.09 -2.24 -1.24 -1.76 114.28 113.69 1usq n THR 121 Ca 0.12 0.03 0.09 0.00 -2.27 0.00 0.00 64.05 62.03 1usq n THR 121 Cb 0.80 -0.79 0.26 0.00 -2.10 0.00 0.00 70.33 68.50 1usq n THR 121 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1usq n ASN 122 N -1.06 3.65 -4.72 3.42 3.02 -1.26 -4.23 115.26 114.07 1usq n ASN 122 Ca 0.10 -2.08 -0.42 0.00 -0.03 0.00 0.00 54.58 52.16 1usq n ASN 122 Cb 0.07 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 38.80 1usq n ASN 122 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1usq s THR 123 N -1.14 2.09 0.42 3.41 2.01 -0.72 -4.93 115.64 116.77 1usq s THR 123 Ca 0.39 0.07 -0.26 0.00 0.31 0.00 0.00 61.69 62.20 1usq s THR 123 Cb 0.21 -3.04 -0.08 0.00 0.01 0.00 0.00 72.50 69.60 1usq s THR 123 CO 0.25 0.01 1.33 -2.84 -0.69 0.00 0.00 174.62 172.68 1usq s PRO 124 N 1.13 3.86 0.35 4.92 0.02 -1.26 -4.79 135.00 139.23 1usq s PRO 124 Ca 0.74 2.22 -0.29 0.00 0.02 0.00 0.00 61.00 63.69 1usq s PRO 124 Cb -0.49 -2.70 -0.11 0.00 0.02 0.00 0.00 34.50 31.21 1usq s PRO 124 CO 0.32 -0.60 1.54 -2.30 -0.33 0.00 0.00 177.00 175.63 1usq n PRO 125 N -0.01 2.72 -3.60 5.54 -0.02 -1.26 -4.85 135.00 133.52 1usq n PRO 125 Ca 0.04 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 1usq n PRO 125 Cb 0.43 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 1usq n PRO 125 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1usq n GLY 126 N 1.11 -2.02 3.58 -1.23 0.00 -0.74 -4.97 105.19 100.92 1usq n GLY 126 Ca 0.04 -1.17 -0.37 0.00 0.00 0.00 0.00 46.02 44.52 1usq n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1usq s ASN 127 N -0.86 5.80 -0.00 1.61 0.01 -1.26 -0.89 114.94 119.35 1usq s ASN 127 Ca 0.00 -0.01 0.05 0.00 -0.71 0.00 0.00 52.86 52.19 1usq s ASN 127 Cb 0.00 -2.05 -0.03 0.00 0.41 0.00 0.00 41.25 39.58 1usq s ASN 127 CO 0.00 0.02 -0.15 -0.31 -1.51 0.00 0.00 177.10 175.15 1usq s TYR 128 N 1.34 2.67 0.01 2.20 2.02 0.64 -1.06 117.35 125.17 1usq s TYR 128 Ca 0.06 -0.18 0.01 0.00 -0.37 0.00 0.00 57.07 56.59 1usq s TYR 128 Cb -0.15 -1.55 -0.01 0.00 -0.40 0.00 0.00 41.96 39.85 1usq s TYR 128 CO 0.06 0.25 -0.04 0.99 -1.57 0.00 0.00 175.55 175.24 1usq s THR 129 N -0.86 0.27 -0.11 -0.71 2.01 -0.23 -0.79 115.64 115.22 1usq s THR 129 Ca 0.14 -0.48 -0.00 0.00 0.31 0.00 0.00 61.69 61.66 1usq s THR 129 Cb -0.11 -0.30 0.02 0.00 0.01 0.00 0.00 72.50 72.13 1usq s THR 129 CO 0.04 -0.14 -0.09 -0.22 -0.69 0.00 0.00 174.62 173.52 1usq s LEU 130 N -0.66 1.27 -0.17 4.42 2.96 0.99 -1.34 118.68 126.16 1usq s LEU 130 Ca -0.05 -0.31 -0.03 0.00 -0.22 0.00 0.00 54.13 53.52 1usq s LEU 130 Cb -0.05 -0.85 -0.02 0.00 0.50 0.00 0.00 46.19 45.77 1usq s LEU 130 CO -0.00 -0.09 -0.06 -0.89 -1.32 0.00 0.00 176.35 173.99 1usq s THR 131 N 1.55 3.58 -0.11 3.68 2.01 -1.26 0.29 115.64 125.38 1usq s THR 131 Ca 0.02 -0.46 0.02 0.00 0.31 0.00 0.00 61.69 61.58 1usq s THR 131 Cb -0.13 -2.58 0.01 0.00 0.01 0.00 0.00 72.50 69.82 1usq s THR 131 CO -0.07 0.48 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.42 1usq s LEU 132 N 0.70 1.74 -0.12 4.42 1.43 -0.02 -1.97 118.68 124.86 1usq s LEU 132 Ca -0.03 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 52.60 1usq s LEU 132 Cb -0.15 -1.11 -0.03 0.00 0.03 0.00 0.00 46.19 44.93 1usq s LEU 132 CO 0.02 0.02 0.00 -0.89 0.23 0.00 0.00 176.35 175.73 1usq s THR 133 N 0.99 4.27 0.40 5.49 2.01 0.22 -1.00 115.64 128.02 1usq s THR 133 Ca -0.06 -0.24 -0.23 0.00 0.31 0.00 0.00 61.69 61.47 1usq s THR 133 Cb -0.15 -2.84 -0.10 0.00 0.01 0.00 0.00 72.50 69.42 1usq s THR 133 CO -0.02 0.55 0.97 -0.83 -0.69 0.00 0.00 174.62 174.60 1usq s GLY 134 N -0.29 2.57 0.00 4.40 0.00 -0.45 -0.94 107.32 112.61 1usq s GLY 134 Ca 0.06 0.50 0.00 0.00 0.00 0.00 0.00 44.72 45.28 1usq s GLY 134 CO 0.02 0.85 0.00 0.61 0.00 0.00 0.00 173.10 174.58 1usq n GLY 135 N -0.11 -0.77 3.09 0.20 0.00 -0.33 -1.09 105.19 106.17 1usq n GLY 135 Ca 0.05 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 1usq n GLY 135 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1usq s TYR 136 N -3.82 0.16 0.23 1.61 1.13 -0.78 -1.26 117.35 114.61 1usq s TYR 136 Ca 0.00 -0.38 0.10 0.00 -1.41 0.00 0.00 57.07 55.39 1usq s TYR 136 Cb 0.00 -0.12 -0.04 0.00 -1.10 0.00 0.00 41.96 40.70 1usq s TYR 136 CO 0.00 -0.30 -0.13 -0.46 -2.51 0.00 0.00 175.55 172.15 1usq s TRP 137 N -1.94 2.50 -0.05 -3.49 -0.00 -0.40 -0.38 118.94 115.19 1usq s TRP 137 Ca -0.11 -0.27 -0.31 0.00 -0.00 0.00 0.00 56.10 55.41 1usq s TRP 137 Cb -0.05 -1.17 0.08 0.00 -0.00 0.00 0.00 33.47 32.33 1usq s TRP 137 CO -0.02 0.58 0.71 0.00 -0.00 0.00 0.00 176.95 178.23 1usq s ALA 138 N -2.03 -1.78 -2.71 5.86 0.00 -0.55 -4.16 121.76 116.40 1usq s ALA 138 Ca 0.27 1.31 0.26 0.00 0.00 0.00 0.00 51.96 53.80 1usq s ALA 138 Cb -0.07 -0.03 0.70 0.00 0.00 0.00 0.00 23.12 23.71 1usq s ALA 138 CO 0.15 -0.38 1.55 0.36 0.00 0.00 0.00 175.76 177.44