#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 1.01 -0.02 1.61 1.04 -1.14 -4.94 113.70 111.26 1usq s SER 1 Ca 0.00 -0.31 -0.19 0.00 0.48 0.00 0.00 55.95 55.93 1usq s SER 1 Cb 0.00 -0.06 -0.05 0.00 0.10 0.00 0.00 66.02 66.01 1usq s SER 1 CO 0.00 -0.00 0.55 0.12 0.98 0.00 0.00 173.24 174.88 1usq s PHE 2 N -0.63 3.67 -0.27 5.02 2.19 -1.26 -2.33 117.98 124.37 1usq s PHE 2 Ca -0.01 1.12 -0.04 0.00 0.33 0.00 0.00 56.93 58.33 1usq s PHE 2 Cb -0.06 -2.54 0.01 0.00 -1.31 0.00 0.00 43.02 39.12 1usq s PHE 2 CO 0.00 0.38 0.01 0.99 1.83 0.00 0.00 175.22 178.43 1usq s THR 3 N -0.25 3.49 0.11 0.12 2.01 0.35 -4.98 115.64 116.49 1usq s THR 3 Ca 0.29 -0.77 -0.31 0.00 0.31 0.00 0.00 61.69 61.21 1usq s THR 3 Cb -0.18 -2.75 -0.09 0.00 0.01 0.00 0.00 72.50 69.49 1usq s THR 3 CO 0.16 0.18 1.65 -2.84 -0.69 0.00 0.00 174.62 173.07 1usq s PRO 4 N 1.43 4.19 -0.38 4.92 0.02 -1.26 -1.49 135.00 142.44 1usq s PRO 4 Ca 0.02 2.38 -0.00 0.00 0.02 0.00 0.00 61.00 63.42 1usq s PRO 4 Cb -0.16 -3.44 0.19 0.00 0.02 0.00 0.00 34.50 31.11 1usq s PRO 4 CO -0.01 -0.70 0.85 0.45 -0.33 0.00 0.00 177.00 177.25 1usq s SER 5 N 1.99 -0.94 0.00 2.53 0.15 -0.54 -4.92 113.70 111.97 1usq s SER 5 Ca 0.73 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.81 1usq s SER 5 Cb -0.42 1.21 0.00 0.00 -1.71 0.00 0.00 66.02 65.09 1usq s SER 5 CO 0.32 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.28 1usq n GLY 6 N 3.86 -0.40 3.90 9.45 0.00 -1.15 -3.20 105.19 117.65 1usq n GLY 6 Ca 0.09 -1.32 -0.27 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.93 1.57 -0.12 2.61 -4.23 -1.26 -4.64 115.64 106.64 1usq s THR 7 Ca 0.00 -1.53 0.01 0.00 -1.18 0.00 0.00 61.69 59.00 1usq s THR 7 Cb 0.00 -2.09 -0.01 0.00 1.34 0.00 0.00 72.50 71.74 1usq s THR 7 CO 0.00 0.00 -0.17 -0.89 -0.54 0.00 0.00 174.62 173.02 1usq s THR 8 N -2.79 2.67 -0.17 3.99 2.01 -1.26 -1.25 115.64 118.84 1usq s THR 8 Ca 0.31 -0.80 -0.07 0.00 0.31 0.00 0.00 61.69 61.44 1usq s THR 8 Cb -0.02 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.36 1usq s THR 8 CO 0.20 0.54 0.06 -0.83 -0.69 0.00 0.00 174.62 173.89 1usq s GLY 9 N 0.34 1.91 -0.23 4.40 0.00 -0.13 -4.96 107.32 108.65 1usq s GLY 9 Ca -0.14 -0.74 -0.01 0.00 0.00 0.00 0.00 44.72 43.83 1usq s GLY 9 CO 0.07 0.00 -0.09 -1.59 0.00 0.00 0.00 173.10 171.49 1usq s THR 10 N 0.24 2.69 -0.23 0.90 2.01 -1.26 -1.08 115.64 118.91 1usq s THR 10 Ca 0.04 -1.03 -0.16 0.00 0.31 0.00 0.00 61.69 60.85 1usq s THR 10 Cb -0.12 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 1usq s THR 10 CO 0.00 0.26 0.41 -0.89 -0.69 0.00 0.00 174.62 173.71 1usq s THR 11 N 1.31 5.17 -0.02 -0.82 2.01 0.57 -4.95 115.64 118.92 1usq s THR 11 Ca 0.01 0.70 0.07 0.00 0.31 0.00 0.00 61.69 62.78 1usq s THR 11 Cb -0.16 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 1usq s THR 11 CO -0.06 0.20 -0.24 -0.54 -0.69 0.00 0.00 174.62 173.29 1usq s LYS 12 N 1.66 1.93 -0.09 4.92 1.02 -1.26 -0.49 119.74 127.43 1usq s LYS 12 Ca 0.18 -0.85 -0.04 0.00 0.02 0.00 0.00 55.97 55.28 1usq s LYS 12 Cb -0.15 -1.86 0.05 0.00 -0.52 0.00 0.00 37.83 35.34 1usq s LYS 12 CO 0.09 0.51 0.22 -1.17 -0.92 0.00 0.00 175.35 174.07 1usq s LEU 13 N -0.56 0.42 -0.25 3.17 2.96 0.32 -4.63 118.68 120.11 1usq s LEU 13 Ca 0.09 0.46 -0.10 0.00 -0.22 0.00 0.00 54.13 54.36 1usq s LEU 13 Cb -0.09 0.61 -0.05 0.00 0.50 0.00 0.00 46.19 47.16 1usq s LEU 13 CO -0.01 -0.17 0.16 -0.89 -1.32 0.00 0.00 176.35 174.12 1usq s THR 14 N 1.37 5.24 -0.16 3.68 2.01 -0.40 0.19 115.64 127.56 1usq s THR 14 Ca -0.08 0.14 -0.10 0.00 0.31 0.00 0.00 61.69 61.96 1usq s THR 14 Cb -0.11 -3.46 -0.05 0.00 0.01 0.00 0.00 72.50 68.90 1usq s THR 14 CO -0.08 0.32 0.18 -0.69 -0.69 0.00 0.00 174.62 173.66 1usq s VAL 15 N 1.31 5.39 0.41 3.82 1.01 0.49 -1.05 120.40 131.78 1usq s VAL 15 Ca 0.07 0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.40 1usq s VAL 15 Cb -0.14 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 1usq s VAL 15 CO 0.07 0.47 0.15 0.42 0.00 0.00 0.00 175.10 176.21 1usq s THR 16 N 0.01 0.49 0.41 3.92 -4.23 0.11 -1.23 115.64 115.12 1usq s THR 16 Ca 0.12 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 1usq s THR 16 Cb -0.12 -2.31 0.08 0.00 1.34 0.00 0.00 72.50 71.49 1usq s THR 16 CO 0.01 0.00 0.57 -0.62 -0.54 0.00 0.00 174.62 174.04 1usq n GLU 17 N -0.92 0.23 -0.28 3.99 1.02 -1.26 -0.39 120.64 123.03 1usq n GLU 17 Ca -0.05 -1.56 -0.05 0.00 -0.02 0.00 0.00 57.16 55.48 1usq n GLU 17 Cb 0.64 -0.37 0.07 0.00 -0.02 0.00 0.00 31.44 31.76 1usq n GLU 17 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1usq h LYS 18 N 0.00 1.06 -6.36 3.49 1.57 -1.98 -3.33 116.57 111.03 1usq h LYS 18 Ca -0.19 -0.11 -0.58 0.00 -1.87 0.00 0.00 60.65 57.90 1usq h LYS 18 Cb 0.70 -0.22 -0.09 0.00 0.08 0.00 0.00 32.23 32.70 1usq h LYS 18 CO 0.20 0.76 0.73 0.00 -0.57 0.00 0.00 179.45 180.57 1usq s GLN 20 N 4.08 2.72 -0.37 0.00 0.74 -1.25 -5.06 119.66 120.52 1usq s GLN 20 Ca 0.41 -0.74 0.00 0.00 0.05 0.00 0.00 55.36 55.08 1usq s GLN 20 Cb -0.09 -2.26 0.10 0.00 1.10 0.00 0.00 33.01 31.86 1usq s GLN 20 CO 0.28 -0.07 0.13 0.08 -0.55 0.00 0.00 175.29 175.16 1usq s VAL 21 N 0.97 2.80 -0.23 1.34 1.01 -1.26 -5.07 120.40 119.96 1usq s VAL 21 Ca -0.05 -2.19 -0.26 0.00 0.00 0.00 0.00 61.98 59.48 1usq s VAL 21 Cb -0.15 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1usq s VAL 21 CO -0.04 -0.64 0.91 -0.13 0.00 0.00 0.00 175.10 175.20 1usq s ARG 22 N 1.03 4.22 -0.14 2.72 0.52 -1.26 -5.03 118.95 121.01 1usq s ARG 22 Ca 0.09 1.12 0.01 0.00 -0.52 0.00 0.00 55.73 56.43 1usq s ARG 22 Cb -0.21 -3.64 -0.00 0.00 0.52 0.00 0.00 34.95 31.62 1usq s ARG 22 CO -0.06 -0.55 -0.17 0.08 0.02 0.00 0.00 175.30 174.63 1usq s VAL 23 N 2.92 2.60 0.00 3.52 1.01 -1.26 -5.03 120.40 124.17 1usq s VAL 23 Ca 0.39 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1usq s VAL 23 Cb -0.15 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.15 1usq s VAL 23 CO 0.07 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.31 1usq n GLY 24 N 3.83 -1.07 3.71 4.51 0.00 -1.26 -4.93 105.19 109.98 1usq n GLY 24 Ca -0.19 -1.22 -0.34 0.00 0.00 0.00 0.00 46.02 44.26 1usq n GLY 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1usq s ASP 25 N -4.00 3.89 0.24 1.61 -0.00 -1.26 -4.91 116.67 112.24 1usq s ASP 25 Ca 0.00 2.44 -0.31 0.00 -0.00 0.00 0.00 52.55 54.68 1usq s ASP 25 Cb 0.00 -2.60 -0.12 0.00 -0.00 0.00 0.00 42.92 40.20 1usq s ASP 25 CO 0.00 -2.47 1.58 -0.11 -0.00 0.00 0.00 175.17 174.17 1usq n LEU 26 N -2.88 3.79 -4.29 1.23 7.94 -1.26 -5.01 117.00 116.52 1usq n LEU 26 Ca 0.14 1.12 -0.16 0.00 -1.11 0.00 0.00 56.01 56.00 1usq n LEU 26 Cb 0.50 -1.53 -0.10 0.00 0.53 0.00 0.00 43.42 42.82 1usq n LEU 26 CO 0.48 -0.06 -0.24 0.42 -1.11 0.00 0.00 177.39 176.88 1usq s THR 27 N 0.38 0.36 -0.29 1.96 -4.23 -1.26 -5.11 115.64 107.45 1usq s THR 27 Ca 0.70 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.92 1usq s THR 27 Cb -0.56 -2.57 0.01 0.00 1.34 0.00 0.00 72.50 70.71 1usq s THR 27 CO 0.43 0.00 1.21 -0.69 -0.54 0.00 0.00 174.62 175.04 1usq s VAL 28 N -3.82 4.29 0.00 2.29 1.01 -1.26 -5.01 120.40 117.90 1usq s VAL 28 Ca 0.38 1.48 0.01 0.00 0.00 0.00 0.00 61.98 63.85 1usq s VAL 28 Cb 0.07 -4.23 -0.00 0.00 0.00 0.00 0.00 36.38 32.21 1usq s VAL 28 CO 0.14 -0.44 -0.04 0.00 0.00 0.00 0.00 175.10 174.76 1usq s ALA 29 N 4.00 0.34 0.07 5.51 0.00 -1.26 -1.28 121.76 129.14 1usq s ALA 29 Ca 0.52 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 52.28 1usq s ALA 29 Cb -0.16 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 1usq s ALA 29 CO 0.19 0.07 -0.07 0.15 0.00 0.00 0.00 175.76 176.10 1usq s LYS 30 N -0.23 0.66 0.50 0.00 1.02 -0.21 -4.95 119.74 116.52 1usq s LYS 30 Ca 0.00 -1.02 -0.13 0.00 0.02 0.00 0.00 55.97 54.84 1usq s LYS 30 Cb -0.02 -0.22 -0.07 0.00 -0.52 0.00 0.00 37.83 37.00 1usq s LYS 30 CO -0.00 0.01 0.92 0.95 -0.92 0.00 0.00 175.35 176.31 1usq s THR 31 N -2.45 4.65 0.56 2.17 -4.23 -1.26 -0.71 115.64 114.36 1usq s THR 31 Ca -0.00 0.95 0.23 0.00 -1.18 0.00 0.00 61.69 61.69 1usq s THR 31 Cb -0.03 -3.75 0.31 0.00 1.34 0.00 0.00 72.50 70.37 1usq s THR 31 CO -0.02 -0.72 2.21 0.08 -0.54 0.00 0.00 174.62 175.62 1usq h ARG 32 N 0.79 0.00 0.00 3.99 0.11 -1.01 -1.16 114.38 117.10 1usq h ARG 32 Ca -0.46 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.61 1usq h ARG 32 Cb 1.19 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.27 1usq h ARG 32 CO 0.62 0.00 -0.02 0.78 0.10 0.00 0.00 179.97 181.45 1usq h GLY 33 N 0.00 0.00 1.59 0.08 0.00 -1.84 -1.32 103.07 101.57 1usq h GLY 33 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1usq h GLY 33 CO 0.00 0.00 -0.06 -1.06 0.00 0.00 0.00 176.54 175.42 1usq n GLN 34 N -4.05 0.26 -1.55 4.80 6.02 -0.44 -4.31 117.38 118.11 1usq n GLN 34 Ca -0.03 -0.04 -0.39 0.00 -0.01 0.00 0.00 57.00 56.54 1usq n GLN 34 Cb 0.11 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.85 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 -1.34 8.44 -4.93 1.08 4.77 -0.50 -4.85 117.00 119.67 1usq n LEU 35 Ca 0.11 -4.53 -0.26 0.00 -0.03 0.00 0.00 56.01 51.30 1usq n LEU 35 Cb 0.29 -1.48 0.02 0.00 -2.33 0.00 0.00 43.42 39.92 1usq n LEU 35 CO 0.26 2.06 0.43 0.42 -1.33 0.00 0.00 177.39 179.24 1usq s THR 36 N 0.90 3.98 0.24 -5.08 -4.23 -1.26 -1.78 115.64 108.40 1usq s THR 36 Ca 0.64 -0.13 -0.31 0.00 -1.18 0.00 0.00 61.69 60.71 1usq s THR 36 Cb 0.19 -3.53 -0.13 0.00 1.34 0.00 0.00 72.50 70.36 1usq s THR 36 CO -0.07 -0.49 1.47 -0.67 -0.54 0.00 0.00 174.62 174.32 1usq n ASP 37 N -2.36 3.02 0.00 3.99 2.03 -1.26 -1.79 116.55 120.18 1usq n ASP 37 Ca 0.03 1.13 0.00 0.00 0.52 0.00 0.00 54.79 56.47 1usq n ASP 37 Cb 0.57 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 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 2.21 0.00 -1.88 -1.67 0.00 0.23 -4.93 120.51 114.46 1usq n ALA 38 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.14 1usq n ALA 38 Cb 0.32 -0.45 -0.03 0.00 0.00 0.00 0.00 19.45 19.30 1usq n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1usq s ALA 39 N -2.28 3.78 0.16 0.00 0.00 -0.74 -4.61 121.76 118.06 1usq s ALA 39 Ca 0.00 1.41 -0.30 0.00 0.00 0.00 0.00 51.96 53.07 1usq s ALA 39 Cb 0.00 -3.62 -0.07 0.00 0.00 0.00 0.00 23.12 19.42 1usq s ALA 39 CO 0.00 -0.81 1.14 -1.25 0.00 0.00 0.00 175.76 174.84 1usq s PRO 40 N 0.79 4.54 -0.23 0.00 0.04 -1.26 0.30 135.00 139.17 1usq s PRO 40 Ca 0.69 1.77 -0.07 0.00 0.04 0.00 0.00 61.00 63.42 1usq s PRO 40 Cb -0.45 -3.28 -0.18 0.00 0.04 0.00 0.00 34.50 30.64 1usq s PRO 40 CO 0.34 -0.03 -0.09 -0.89 0.04 0.00 0.00 177.00 176.38 1usq n ILE 41 N 2.66 1.57 0.00 0.56 5.41 0.82 -4.91 119.36 125.47 1usq n ILE 41 Ca 0.04 -0.47 0.00 0.00 1.00 0.00 0.00 62.75 63.32 1usq n ILE 41 Cb 0.46 -1.68 0.00 0.00 -0.71 0.00 0.00 39.64 37.71 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 1.84 1.54 3.90 7.39 0.00 -1.18 -5.03 105.19 113.66 1usq n GLY 42 Ca -0.44 -0.99 -0.28 0.00 0.00 0.00 0.00 46.02 44.31 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 3.63 -0.13 1.61 0.04 -1.26 -1.92 135.00 134.96 1usq s PRO 43 Ca 0.00 0.10 -0.01 0.00 0.04 0.00 0.00 61.00 61.13 1usq s PRO 43 Cb 0.00 -2.54 0.03 0.00 0.04 0.00 0.00 34.50 32.03 1usq s PRO 43 CO 0.00 0.07 -0.05 0.08 0.04 0.00 0.00 177.00 177.14 1usq s VAL 44 N -2.30 0.94 0.36 -0.36 1.01 0.54 -4.96 120.40 115.64 1usq s VAL 44 Ca 0.46 -0.36 -0.25 0.00 0.00 0.00 0.00 61.98 61.83 1usq s VAL 44 Cb -0.10 -1.05 -0.10 0.00 0.00 0.00 0.00 36.38 35.13 1usq s VAL 44 CO 0.34 0.25 0.98 0.42 0.00 0.00 0.00 175.10 177.09 1usq s THR 45 N 1.73 4.06 -0.03 3.92 -4.23 -1.26 -0.30 115.64 119.52 1usq s THR 45 Ca 0.03 1.60 0.00 0.00 -1.18 0.00 0.00 61.69 62.15 1usq s THR 45 Cb -0.14 -3.84 0.03 0.00 1.34 0.00 0.00 72.50 69.89 1usq s THR 45 CO -0.08 0.03 0.00 -0.69 -0.54 0.00 0.00 174.62 173.34 1usq s VAL 46 N -1.71 0.18 -0.23 2.29 1.01 -0.17 -4.92 120.40 116.85 1usq s VAL 46 Ca 0.54 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.59 1usq s VAL 46 Cb -0.18 -0.29 0.07 0.00 0.00 0.00 0.00 36.38 35.98 1usq s VAL 46 CO 0.24 0.15 0.08 -1.10 0.00 0.00 0.00 175.10 174.47 1usq s GLN 47 N 1.12 0.42 -0.04 2.72 -1.52 -1.26 -0.92 119.66 120.18 1usq s GLN 47 Ca -0.08 -0.47 -0.11 0.00 -1.95 0.00 0.00 55.36 52.75 1usq s GLN 47 Cb -0.13 -1.82 -0.05 0.00 -0.22 0.00 0.00 33.01 30.78 1usq s GLN 47 CO -0.02 -0.78 0.30 0.00 -0.25 0.00 0.00 175.29 174.54 1usq s ALA 48 N 1.94 3.77 0.01 6.09 0.00 -0.35 -5.01 121.76 128.22 1usq s ALA 48 Ca 0.04 -0.40 0.03 0.00 0.00 0.00 0.00 51.96 51.63 1usq s ALA 48 Cb -0.17 -2.21 -0.01 0.00 0.00 0.00 0.00 23.12 20.73 1usq s ALA 48 CO -0.17 0.54 -0.10 -0.51 0.00 0.00 0.00 175.76 175.52 1usq s LEU 49 N -1.13 2.08 -0.80 0.00 1.02 -1.26 -4.55 118.68 114.04 1usq s LEU 49 Ca 0.21 -0.28 0.00 0.00 0.02 0.00 0.00 54.13 54.08 1usq s LEU 49 Cb -0.15 -0.46 0.00 0.00 0.02 0.00 0.00 46.19 45.60 1usq s LEU 49 CO 0.10 0.05 0.00 0.61 0.02 0.00 0.00 176.35 177.14 1usq n GLY 50 N 2.45 0.96 1.56 -3.19 0.00 -1.26 -4.93 105.19 100.78 1usq n GLY 50 Ca -0.16 -0.61 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 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 1.16 0.00 -0.09 0.00 3.04 -1.92 -2.11 116.42 116.49 1usq h ASP 52 Ca 0.35 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.14 1usq h ASP 52 Cb 2.10 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.39 1usq h ASP 52 CO 0.65 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.85 1usq n ALA 53 N -2.48 2.40 -2.46 4.15 0.00 -1.26 -3.66 120.51 117.19 1usq n ALA 53 Ca 0.04 -2.15 -0.18 0.00 0.00 0.00 0.00 53.44 51.14 1usq n ALA 53 Cb 0.39 -0.41 -0.11 0.00 0.00 0.00 0.00 19.45 19.32 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 1.09 -0.34 0.00 1.81 -0.87 -4.92 118.95 113.32 1usq s ARG 54 Ca 0.28 -1.30 -0.22 0.00 -1.72 0.00 0.00 55.73 52.77 1usq s ARG 54 Cb 0.24 -0.97 0.00 0.00 -0.45 0.00 0.00 34.95 33.77 1usq s ARG 54 CO 0.05 0.18 0.70 -0.65 -0.68 0.00 0.00 175.30 174.90 1usq s GLN 55 N -2.83 3.78 0.38 3.54 -0.21 -1.26 -2.01 119.66 121.05 1usq s GLN 55 Ca 0.11 0.25 -0.28 0.00 0.02 0.00 0.00 55.36 55.46 1usq s GLN 55 Cb -0.04 -3.78 -0.11 0.00 1.00 0.00 0.00 33.01 30.08 1usq s GLN 55 CO 0.04 -0.72 1.49 0.28 -2.12 0.00 0.00 175.29 174.25 1usq n VAL 56 N 5.59 2.00 -3.77 1.09 0.31 -1.26 -1.01 118.33 121.29 1usq n VAL 56 Ca 0.01 -0.50 -0.10 0.00 -0.01 0.00 0.00 64.34 63.74 1usq n VAL 56 Cb 0.48 -1.97 -0.07 0.00 -0.91 0.00 0.00 33.84 31.38 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 -1.12 -0.54 -0.06 3.52 0.00 -0.22 -0.70 121.76 122.64 1usq s ALA 57 Ca 0.53 -0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.23 1usq s ALA 57 Cb -0.48 0.50 0.01 0.00 0.00 0.00 0.00 23.12 23.15 1usq s ALA 57 CO 0.64 -0.52 -0.14 -0.51 0.00 0.00 0.00 175.76 175.23 1usq s LEU 58 N -2.62 1.75 -0.15 0.00 2.01 -0.49 -1.49 118.68 117.70 1usq s LEU 58 Ca 0.02 -0.32 -0.02 0.00 0.01 0.00 0.00 54.13 53.82 1usq s LEU 58 Cb 0.02 -0.88 -0.02 0.00 0.01 0.00 0.00 46.19 45.32 1usq s LEU 58 CO -0.09 0.07 -0.09 -0.75 1.01 0.00 0.00 176.35 176.50 1usq s LYS 59 N 0.47 3.46 0.41 1.70 2.20 -0.09 -0.77 119.74 127.12 1usq s LYS 59 Ca -0.12 -0.63 -0.22 0.00 -0.36 0.00 0.00 55.97 54.64 1usq s LYS 59 Cb -0.15 -2.76 -0.10 0.00 -1.51 0.00 0.00 37.83 33.31 1usq s LYS 59 CO 0.04 0.16 0.97 0.00 -0.36 0.00 0.00 175.35 176.16 1usq s ALA 60 N 0.52 3.05 0.72 3.13 0.00 -0.07 -0.92 121.76 128.19 1usq s ALA 60 Ca -0.07 0.49 -0.16 0.00 0.00 0.00 0.00 51.96 52.22 1usq s ALA 60 Cb -0.15 -3.19 0.02 0.00 0.00 0.00 0.00 23.12 19.80 1usq s ALA 60 CO 0.04 0.03 1.06 -0.25 0.00 0.00 0.00 175.76 176.64 1usq n ASP 61 N -0.40 0.85 -0.29 0.00 9.92 -0.75 -4.86 116.55 121.02 1usq n ASP 61 Ca 0.06 0.68 0.15 0.00 -0.53 0.00 0.00 54.79 55.15 1usq n ASP 61 Cb 0.53 -1.45 0.41 0.00 -0.64 0.00 0.00 41.12 39.97 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 -0.23 0.74 0.00 -3.53 2.02 -1.94 -0.08 112.91 109.90 1usq h THR 62 Ca -0.48 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.49 1usq h THR 62 Cb 1.33 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1usq h THR 62 CO 0.48 0.11 0.00 0.47 0.37 0.00 0.00 175.52 176.95 1usq n ASP 63 N -4.59 0.00 -0.51 4.18 8.00 -1.26 -3.50 116.55 118.86 1usq n ASP 63 Ca 0.20 -0.71 0.05 0.00 0.71 0.00 0.00 54.79 55.03 1usq n ASP 63 Cb 0.58 -0.02 0.11 0.00 -0.02 0.00 0.00 41.12 41.77 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 -1.02 2.56 -3.73 -2.24 3.02 -0.04 -4.75 115.26 109.06 1usq n ASN 64 Ca 0.18 -1.86 -0.10 0.00 -0.03 0.00 0.00 54.58 52.77 1usq n ASN 64 Cb 0.09 -0.15 -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 -0.95 -0.05 -0.21 3.10 -0.12 -1.23 -0.96 117.98 117.57 1usq s PHE 65 Ca 0.18 -0.31 -0.29 0.00 -0.05 0.00 0.00 56.93 56.45 1usq s PHE 65 Cb 0.10 0.14 0.15 0.00 -0.63 0.00 0.00 43.02 42.77 1usq s PHE 65 CO 0.13 -0.65 1.11 -2.00 -0.05 0.00 0.00 175.22 173.76 1usq s GLU 66 N -3.83 0.43 -0.76 1.99 2.12 -0.57 -4.99 118.70 113.09 1usq s GLU 66 Ca 0.04 0.14 0.00 0.00 0.36 0.00 0.00 54.97 55.52 1usq s GLU 66 Cb 0.03 0.20 0.00 0.00 0.26 0.00 0.00 34.13 34.62 1usq s GLU 66 CO -0.11 -0.13 0.00 0.94 -0.54 0.00 0.00 175.26 175.42 1usq n GLN 67 N 0.81 -1.58 -0.61 4.30 7.27 -1.26 0.67 117.38 126.98 1usq n GLN 67 Ca -0.08 0.42 0.00 0.00 0.07 0.00 0.00 57.00 57.42 1usq n GLN 67 Cb 0.58 -4.69 0.00 0.00 2.41 0.00 0.00 30.24 28.54 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 -0.31 0.67 3.42 1.69 0.00 -1.26 -5.07 105.19 104.33 1usq n GLY 68 Ca -0.08 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.65 2.30 0.13 1.61 1.02 0.21 -5.01 119.74 119.35 1usq s LYS 69 Ca 0.00 -0.82 0.04 0.00 0.02 0.00 0.00 55.97 55.21 1usq s LYS 69 Cb 0.00 -2.23 -0.04 0.00 -0.52 0.00 0.00 37.83 35.04 1usq s LYS 69 CO 0.00 0.59 0.14 -0.06 -0.92 0.00 0.00 175.35 175.10 1usq s PHE 70 N -0.72 3.23 -0.18 3.18 0.40 -1.26 -1.51 117.98 121.11 1usq s PHE 70 Ca 0.11 0.05 -0.27 0.00 -0.60 0.00 0.00 56.93 56.22 1usq s PHE 70 Cb -0.10 -1.58 0.08 0.00 0.51 0.00 0.00 43.02 41.92 1usq s PHE 70 CO 0.01 0.52 0.75 -0.59 0.70 0.00 0.00 175.22 176.61 1usq s PHE 71 N -1.61 -0.69 0.53 0.36 -0.12 -0.13 -1.96 117.98 114.35 1usq s PHE 71 Ca 0.31 1.51 -0.19 0.00 -0.05 0.00 0.00 56.93 58.51 1usq s PHE 71 Cb -0.11 0.34 -0.07 0.00 -0.63 0.00 0.00 43.02 42.55 1usq s PHE 71 CO 0.24 -0.45 1.08 -0.51 -0.05 0.00 0.00 175.22 175.53 1usq s LEU 72 N -0.28 3.75 -0.01 -1.99 1.02 -0.18 -4.50 118.68 116.48 1usq s LEU 72 Ca -0.04 2.02 0.06 0.00 0.02 0.00 0.00 54.13 56.19 1usq s LEU 72 Cb -0.03 -4.57 -0.01 0.00 0.02 0.00 0.00 46.19 41.60 1usq s LEU 72 CO 0.04 -1.04 -0.18 -0.51 0.02 0.00 0.00 176.35 174.68 1usq s ILE 73 N -1.95 1.44 0.91 -0.59 1.10 0.04 -1.62 121.20 120.54 1usq s ILE 73 Ca 0.69 -0.78 -0.11 0.00 -0.51 0.00 0.00 60.65 59.94 1usq s ILE 73 Cb -0.20 -1.20 0.14 0.00 0.15 0.00 0.00 42.46 41.35 1usq s ILE 73 CO 0.25 0.41 1.10 -0.94 -2.11 0.00 0.00 174.94 173.65 1usq s SER 74 N -0.42 3.15 0.40 4.50 1.04 -0.38 -1.32 113.70 120.67 1usq s SER 74 Ca 0.07 1.79 0.11 0.00 0.48 0.00 0.00 55.95 58.39 1usq s SER 74 Cb -0.07 -2.39 0.91 0.00 0.10 0.00 0.00 66.02 64.56 1usq s SER 74 CO -0.01 -2.89 1.95 0.44 0.98 0.00 0.00 173.24 173.71 1usq h ASP 75 N -1.72 0.51 -0.10 7.02 3.32 -1.63 -0.48 116.42 123.35 1usq h ASP 75 Ca -0.48 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1usq h ASP 75 Cb 1.27 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1usq h ASP 75 CO 0.49 0.30 0.00 -0.46 -1.72 0.00 0.00 179.24 177.85 1usq n ASN 76 N -4.49 1.05 0.00 6.45 2.04 -1.26 -4.91 115.26 114.13 1usq n ASN 76 Ca 0.12 -1.58 0.00 0.00 -0.44 0.00 0.00 54.58 52.68 1usq n ASN 76 Cb 0.36 -0.06 0.00 0.00 -2.53 0.00 0.00 39.78 37.55 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 -0.10 -1.03 -0.03 0.53 4.05 -0.19 -4.90 115.26 113.60 1usq n ASN 77 Ca 0.16 0.00 -0.21 0.00 0.45 0.00 0.00 54.58 54.97 1usq n ASN 77 Cb 0.23 -0.89 -0.13 0.00 1.23 0.00 0.00 39.78 40.22 1usq n ASN 77 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 177.26 174.12 1usq h ARG 78 N 1.76 0.17 -5.53 1.20 2.43 -1.91 -3.46 114.38 109.04 1usq h ARG 78 Ca 0.00 -0.30 -0.64 0.00 -0.81 0.00 0.00 59.98 58.23 1usq h ARG 78 Cb 0.08 0.11 -0.12 0.00 -0.42 0.00 0.00 29.97 29.61 1usq h ARG 78 CO 0.00 1.14 -0.54 -0.51 -1.51 0.00 0.00 179.97 178.55 1usq s ASP 79 N -6.97 5.88 0.02 -3.80 1.01 -1.26 -4.97 116.67 106.57 1usq s ASP 79 Ca -0.23 0.24 0.01 0.00 0.71 0.00 0.00 52.55 53.28 1usq s ASP 79 Cb 0.05 -1.92 -0.04 0.00 1.01 0.00 0.00 42.92 42.03 1usq s ASP 79 CO 0.71 0.29 0.03 -0.54 0.21 0.00 0.00 175.17 175.88 1usq s LYS 80 N -0.33 2.86 -0.33 8.23 1.02 -1.26 -1.25 119.74 128.68 1usq s LYS 80 Ca 0.10 -0.60 0.02 0.00 0.02 0.00 0.00 55.97 55.50 1usq s LYS 80 Cb -0.12 -2.72 0.10 0.00 -0.52 0.00 0.00 37.83 34.57 1usq s LYS 80 CO 0.01 0.62 0.07 -1.17 -0.92 0.00 0.00 175.35 173.96 1usq s LEU 81 N -1.78 3.56 0.36 3.17 2.96 -0.64 -4.98 118.68 121.33 1usq s LEU 81 Ca 0.22 -1.91 -0.28 0.00 -0.22 0.00 0.00 54.13 51.95 1usq s LEU 81 Cb -0.12 -1.27 -0.10 0.00 0.50 0.00 0.00 46.19 45.21 1usq s LEU 81 CO 0.13 -0.40 1.28 -0.31 -1.32 0.00 0.00 176.35 175.74 1usq s TYR 82 N 1.24 3.00 0.06 5.38 1.51 -1.26 -1.01 117.35 126.28 1usq s TYR 82 Ca 0.10 1.44 -0.00 0.00 -1.01 0.00 0.00 57.07 57.60 1usq s TYR 82 Cb -0.18 -3.63 -0.04 0.00 -0.11 0.00 0.00 41.96 37.99 1usq s TYR 82 CO -0.16 -1.82 -0.03 0.14 -1.11 0.00 0.00 175.55 172.56 1usq s VAL 83 N -1.20 0.32 -0.03 0.71 -7.23 -0.83 -1.09 120.40 111.05 1usq s VAL 83 Ca 0.52 -1.84 -0.00 0.00 -1.81 0.00 0.00 61.98 58.85 1usq s VAL 83 Cb -0.38 -1.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.95 1usq s VAL 83 CO 0.50 -0.95 0.02 0.20 -0.31 0.00 0.00 175.10 174.56 1usq s ASN 84 N -2.95 5.31 -0.19 4.85 0.01 0.51 -4.31 114.94 118.17 1usq s ASN 84 Ca 0.09 0.08 -0.01 0.00 -0.71 0.00 0.00 52.86 52.31 1usq s ASN 84 Cb 0.07 -1.46 0.00 0.00 0.41 0.00 0.00 41.25 40.28 1usq s ASN 84 CO -0.08 0.31 -0.12 -0.63 -1.51 0.00 0.00 177.10 175.06 1usq s ILE 85 N -1.05 2.77 -0.16 0.60 1.01 -1.26 -1.64 121.20 121.47 1usq s ILE 85 Ca 0.18 -0.71 -0.07 0.00 0.00 0.00 0.00 60.65 60.05 1usq s ILE 85 Cb -0.12 -2.21 0.06 0.00 0.01 0.00 0.00 42.46 40.21 1usq s ILE 85 CO 0.08 0.49 0.36 -0.60 0.00 0.00 0.00 174.94 175.27 1usq s ARG 86 N 1.18 0.31 0.61 2.79 3.52 -0.63 -4.99 118.95 121.75 1usq s ARG 86 Ca 0.02 0.77 -0.19 0.00 -0.13 0.00 0.00 55.73 56.21 1usq s ARG 86 Cb -0.14 0.02 -0.03 0.00 -1.56 0.00 0.00 34.95 33.24 1usq s ARG 86 CO -0.05 -0.19 1.25 -1.25 -0.81 0.00 0.00 175.30 174.24 1usq s PRO 87 N 1.73 2.81 0.45 5.12 0.04 -1.26 -0.66 135.00 143.23 1usq s PRO 87 Ca -0.07 1.93 0.25 0.00 0.04 0.00 0.00 61.00 63.15 1usq s PRO 87 Cb -0.10 -1.90 0.52 0.00 0.04 0.00 0.00 34.50 33.06 1usq s PRO 87 CO -0.11 -1.36 1.67 1.79 0.04 0.00 0.00 177.00 179.03 1usq h THR 88 N 0.76 0.04 -3.17 1.26 1.35 -1.60 -3.45 112.91 108.10 1usq h THR 88 Ca -0.51 -0.96 -0.04 0.00 -0.55 0.00 0.00 66.41 64.35 1usq h THR 88 Cb 1.31 1.93 0.01 0.00 -1.73 0.00 0.00 68.15 69.67 1usq h THR 88 CO 0.54 0.02 0.02 -0.90 -0.25 0.00 0.00 175.52 174.95 1usq n ASP 89 N -3.11 0.10 -1.24 5.36 3.85 -1.26 -5.00 116.55 115.25 1usq n ASP 89 Ca 0.03 -1.09 0.06 0.00 -0.71 0.00 0.00 54.79 53.07 1usq n ASP 89 Cb 0.50 -0.07 0.25 0.00 -1.35 0.00 0.00 41.12 40.44 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 -3.01 3.60 -4.78 -1.12 3.02 -1.26 -4.97 115.26 106.75 1usq n ASN 90 Ca 0.02 -2.41 -0.35 0.00 -0.03 0.00 0.00 54.58 51.80 1usq n ASN 90 Cb 0.06 -0.52 -0.01 0.00 -0.61 0.00 0.00 39.78 38.69 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 -0.67 5.97 -0.18 6.41 1.04 -1.26 -5.02 113.70 119.99 1usq s SER 91 Ca 0.35 2.15 -0.12 0.00 0.48 0.00 0.00 55.95 58.80 1usq s SER 91 Cb 0.24 -2.58 -0.05 0.00 0.10 0.00 0.00 66.02 63.73 1usq s SER 91 CO 0.14 -1.05 0.21 0.00 0.98 0.00 0.00 173.24 173.52 1usq s ALA 92 N -1.76 3.64 0.29 5.32 0.00 -1.26 -4.89 121.76 123.09 1usq s ALA 92 Ca 0.69 -0.59 0.05 0.00 0.00 0.00 0.00 51.96 52.12 1usq s ALA 92 Cb -0.23 -2.29 -0.06 0.00 0.00 0.00 0.00 23.12 20.54 1usq s ALA 92 CO 0.27 0.10 -0.00 -1.58 0.00 0.00 0.00 175.76 174.55 1usq s TRP 93 N 0.46 1.92 0.03 0.00 0.52 -1.26 -1.19 118.94 119.42 1usq s TRP 93 Ca 0.12 -0.83 0.05 0.00 0.02 0.00 0.00 56.10 55.46 1usq s TRP 93 Cb -0.12 -1.17 -0.02 0.00 -1.15 0.00 0.00 33.47 31.01 1usq s TRP 93 CO 0.01 0.13 -0.14 0.99 0.02 0.00 0.00 176.95 177.97 1usq s THR 94 N -3.17 1.10 -0.20 2.01 2.01 0.13 -4.85 115.64 112.67 1usq s THR 94 Ca 0.32 -0.91 -0.08 0.00 0.31 0.00 0.00 61.69 61.33 1usq s THR 94 Cb 0.06 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 1usq s THR 94 CO 0.13 0.06 0.09 -0.89 -0.69 0.00 0.00 174.62 173.32 1usq s THR 95 N -0.74 4.93 -0.30 -0.82 2.01 -1.26 -0.64 115.64 118.82 1usq s THR 95 Ca 0.02 0.02 -0.02 0.00 0.31 0.00 0.00 61.69 62.02 1usq s THR 95 Cb -0.07 -3.25 0.12 0.00 0.01 0.00 0.00 72.50 69.31 1usq s THR 95 CO 0.01 0.42 0.21 -0.62 -0.69 0.00 0.00 174.62 173.95 1usq s ASP 96 N 0.63 2.66 -1.08 3.53 3.68 0.69 -4.98 116.67 121.80 1usq s ASP 96 Ca 0.05 -1.12 -0.20 0.00 2.13 0.00 0.00 52.55 53.41 1usq s ASP 96 Cb -0.13 0.04 0.01 0.00 -1.45 0.00 0.00 42.92 41.38 1usq s ASP 96 CO 0.01 -0.41 0.74 -3.20 0.13 0.00 0.00 175.17 172.45 1usq n ASN 97 N 5.19 -5.20 0.00 -0.34 5.15 -1.26 -1.90 115.26 116.89 1usq n ASN 97 Ca -0.03 -1.01 0.00 0.00 -0.60 0.00 0.00 54.58 52.94 1usq n ASN 97 Cb 0.44 -2.91 0.00 0.00 -0.53 0.00 0.00 39.78 36.77 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 -1.77 1.70 3.60 8.20 0.00 -1.26 -5.00 105.19 110.65 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 -2.84 4.06 -0.29 1.61 1.01 -0.80 -0.89 120.40 122.25 1usq s VAL 99 Ca 0.00 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.68 1usq s VAL 99 Cb 0.00 -2.72 0.08 0.00 0.00 0.00 0.00 36.38 33.74 1usq s VAL 99 CO 0.00 0.56 -0.02 0.12 0.00 0.00 0.00 175.10 175.77 1usq s PHE 100 N -0.43 3.23 0.15 5.22 5.36 0.05 -0.22 117.98 131.34 1usq s PHE 100 Ca 0.07 -2.49 0.10 0.00 -0.96 0.00 0.00 56.93 53.66 1usq s PHE 100 Cb -0.12 -2.29 -0.04 0.00 -0.34 0.00 0.00 43.02 40.23 1usq s PHE 100 CO 0.02 -0.89 -0.23 1.52 -1.46 0.00 0.00 175.22 174.17 1usq s TYR 101 N 1.10 2.13 0.19 10.12 1.13 0.18 -1.39 117.35 130.81 1usq s TYR 101 Ca 0.01 -0.39 -0.30 0.00 -1.41 0.00 0.00 57.07 54.98 1usq s TYR 101 Cb -0.19 -1.11 -0.08 0.00 -1.10 0.00 0.00 41.96 39.48 1usq s TYR 101 CO -0.08 0.37 0.99 0.21 -2.51 0.00 0.00 175.55 174.53 1usq s LYS 102 N -2.35 4.74 0.38 -3.49 2.20 0.12 0.22 119.74 121.55 1usq s LYS 102 Ca 0.15 1.56 0.10 0.00 -0.36 0.00 0.00 55.97 57.42 1usq s LYS 102 Cb -0.09 -3.30 0.75 0.00 -1.51 0.00 0.00 37.83 33.68 1usq s LYS 102 CO 0.07 0.31 1.88 -0.91 -0.36 0.00 0.00 175.35 176.34 1usq h ASN 103 N 4.74 0.17 -3.59 1.43 -0.26 -1.48 -3.42 115.58 113.16 1usq h ASN 103 Ca -0.44 -0.04 -0.67 0.00 -0.56 0.00 0.00 56.30 54.59 1usq h ASN 103 Cb 1.21 -0.05 -0.16 0.00 -1.06 0.00 0.00 38.32 38.26 1usq h ASN 103 CO 0.70 0.40 -0.75 -1.81 -1.06 0.00 0.00 177.43 174.90 1usq s ASP 104 N -6.90 4.31 0.89 5.81 1.01 -1.26 -5.04 116.67 115.48 1usq s ASP 104 Ca -0.05 -0.42 -0.11 0.00 0.71 0.00 0.00 52.55 52.68 1usq s ASP 104 Cb 0.15 -0.79 0.12 0.00 1.01 0.00 0.00 42.92 43.42 1usq s ASP 104 CO 0.73 0.18 1.09 0.68 0.21 0.00 0.00 175.17 178.06 1usq s VAL 105 N -1.20 2.72 0.00 -1.27 -7.23 -1.26 -4.55 120.40 107.60 1usq s VAL 105 Ca 0.21 0.23 0.00 0.00 -1.81 0.00 0.00 61.98 60.61 1usq s VAL 105 Cb -0.11 -2.69 0.00 0.00 0.56 0.00 0.00 36.38 34.14 1usq s VAL 105 CO 0.13 -0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.23 1usq n GLY 106 N -1.03 4.33 3.32 2.32 0.00 -0.85 -4.94 105.19 108.34 1usq n GLY 106 Ca 0.07 -1.37 -0.43 0.00 0.00 0.00 0.00 46.02 44.29 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 4.72 -4.77 1.61 7.64 -1.21 -4.44 113.62 117.17 1usq n SER 107 Ca 0.00 -2.92 -0.39 0.00 1.01 0.00 0.00 58.87 56.58 1usq n SER 107 Cb 0.00 -1.69 -0.02 0.00 -1.01 0.00 0.00 64.21 61.49 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 3.48 3.09 -0.02 1.43 -0.00 -1.26 -4.67 118.94 120.98 1usq s TRP 108 Ca 0.50 1.54 0.04 0.00 -0.00 0.00 0.00 56.10 58.19 1usq s TRP 108 Cb 0.06 -3.43 -0.01 0.00 -0.00 0.00 0.00 33.47 30.09 1usq s TRP 108 CO 0.03 -1.36 -0.14 0.20 -0.00 0.00 0.00 176.95 175.67 1usq s GLY 109 N -1.03 0.74 0.00 5.86 0.00 -1.26 -1.21 107.32 110.42 1usq s GLY 109 Ca 0.55 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.68 1usq s GLY 109 CO 0.41 -0.39 0.00 0.61 0.00 0.00 0.00 173.10 173.72 1usq n GLY 110 N 2.95 -1.31 3.48 0.20 0.00 -0.10 -5.00 105.19 105.40 1usq n GLY 110 Ca -0.16 -0.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.38 3.40 -0.25 -0.61 -1.09 -1.26 -1.00 121.20 118.00 1usq s ILE 111 Ca 0.00 -0.56 -0.06 0.00 -2.23 0.00 0.00 60.65 57.80 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 0.55 0.04 -0.63 -1.23 0.00 0.00 174.94 173.67 1usq s ILE 112 N -0.19 3.94 0.13 2.92 -1.09 0.59 -1.38 121.20 126.12 1usq s ILE 112 Ca 0.01 -0.42 -0.21 0.00 -2.23 0.00 0.00 60.65 57.81 1usq s ILE 112 Cb -0.13 -2.89 -0.07 0.00 -1.58 0.00 0.00 42.46 37.79 1usq s ILE 112 CO 0.03 0.29 0.65 -0.83 -1.23 0.00 0.00 174.94 173.84 1usq s GLY 113 N 1.54 2.72 -0.21 6.18 0.00 0.17 -0.34 107.32 117.38 1usq s GLY 113 Ca 0.05 0.13 -0.04 0.00 0.00 0.00 0.00 44.72 44.87 1usq s GLY 113 CO 0.01 0.56 -0.05 -0.42 0.00 0.00 0.00 173.10 173.20 1usq s ILE 114 N -1.21 3.39 0.08 0.90 -1.09 -0.81 -1.60 121.20 120.86 1usq s ILE 114 Ca 0.34 -0.49 0.06 0.00 -2.23 0.00 0.00 60.65 58.32 1usq s ILE 114 Cb -0.20 -2.53 -0.03 0.00 -1.58 0.00 0.00 42.46 38.12 1usq s ILE 114 CO 0.21 0.44 -0.16 -0.31 -1.23 0.00 0.00 174.94 173.89 1usq s TYR 115 N 1.28 1.38 0.17 3.97 2.02 -0.65 -0.13 117.35 125.38 1usq s TYR 115 Ca 0.03 -0.46 -0.31 0.00 -0.37 0.00 0.00 57.07 55.97 1usq s TYR 115 Cb -0.14 -0.77 -0.09 0.00 -0.40 0.00 0.00 41.96 40.56 1usq s TYR 115 CO -0.02 0.10 1.45 0.08 -1.57 0.00 0.00 175.55 175.59 1usq s VAL 116 N -1.30 2.94 -0.54 0.71 1.01 0.15 -0.36 120.40 123.01 1usq s VAL 116 Ca 0.01 0.70 -0.10 0.00 0.00 0.00 0.00 61.98 62.60 1usq s VAL 116 Cb -0.10 -3.45 0.14 0.00 0.00 0.00 0.00 36.38 32.97 1usq s VAL 116 CO 0.03 0.07 0.42 -0.62 0.00 0.00 0.00 175.10 175.00 1usq s ASP 117 N 0.90 5.82 0.00 3.32 2.15 -0.25 -0.60 116.67 128.00 1usq s ASP 117 Ca 0.65 -2.11 0.00 0.00 0.43 0.00 0.00 52.55 51.51 1usq s ASP 117 Cb -0.40 -2.03 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1usq s ASP 117 CO 0.34 -0.65 0.00 0.61 -0.17 0.00 0.00 175.17 175.29 1usq n GLY 118 N 4.65 -0.32 3.70 2.66 0.00 -1.26 -4.69 105.19 109.93 1usq n GLY 118 Ca -0.04 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 1usq n GLY 118 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1usq s GLN 119 N -3.58 4.20 -0.28 1.61 2.00 -1.26 -4.18 119.66 118.17 1usq s GLN 119 Ca 0.00 2.33 0.22 0.00 -2.00 0.00 0.00 55.36 55.90 1usq s GLN 119 Cb 0.00 -3.51 0.50 0.00 0.80 0.00 0.00 33.01 30.80 1usq s GLN 119 CO 0.00 -0.70 1.08 1.04 -0.50 0.00 0.00 175.29 176.21 1usq n GLN 120 N 5.25 1.58 0.00 1.67 6.02 -0.73 -4.89 117.38 126.28 1usq n GLN 120 Ca 0.15 -3.39 0.09 0.00 -0.01 0.00 0.00 57.00 53.84 1usq n GLN 120 Cb 0.40 -1.47 0.50 0.00 1.02 0.00 0.00 30.24 30.69 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 -0.49 0.18 -0.33 5.09 -2.24 -1.23 -1.86 114.28 113.41 1usq n THR 121 Ca 0.07 0.04 0.10 0.00 -2.27 0.00 0.00 64.05 61.99 1usq n THR 121 Cb 0.81 -0.76 0.28 0.00 -2.10 0.00 0.00 70.33 68.55 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 -1.10 3.68 -4.70 3.42 3.02 -1.26 -4.29 115.26 114.03 1usq n ASN 122 Ca 0.12 -2.02 -0.44 0.00 -0.03 0.00 0.00 54.58 52.21 1usq n ASN 122 Cb 0.09 -0.42 -0.04 0.00 -0.61 0.00 0.00 39.78 38.80 1usq n ASN 122 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1usq n THR 123 N 1.30 0.04 -2.03 3.41 -1.04 -0.78 -4.92 114.28 110.28 1usq n THR 123 Ca 0.21 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.05 61.80 1usq n THR 123 Cb 0.57 -1.76 -0.02 0.00 -1.82 0.00 0.00 70.33 67.30 1usq n THR 123 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1usq s PRO 124 N 0.97 4.28 0.30 -2.82 0.02 -1.26 -4.82 135.00 131.67 1usq s PRO 124 Ca 0.76 2.31 -0.30 0.00 0.02 0.00 0.00 61.00 63.79 1usq s PRO 124 Cb -0.59 -3.07 -0.12 0.00 0.02 0.00 0.00 34.50 30.74 1usq s PRO 124 CO 0.36 -0.33 1.49 -2.30 -0.33 0.00 0.00 177.00 175.89 1usq n PRO 125 N 1.27 2.45 -3.60 5.54 -0.02 -1.26 -4.86 135.00 134.52 1usq n PRO 125 Ca 0.02 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1usq n PRO 125 Cb 0.41 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 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 1.68 -1.97 3.66 -1.23 0.00 -0.36 -4.97 105.19 102.00 1usq n GLY 126 Ca 0.07 -1.16 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.09 6.01 0.02 1.61 0.01 -1.26 -0.38 114.94 119.85 1usq s ASN 127 Ca 0.00 0.12 0.08 0.00 -0.71 0.00 0.00 52.86 52.35 1usq s ASN 127 Cb 0.00 -2.07 -0.03 0.00 0.41 0.00 0.00 41.25 39.56 1usq s ASN 127 CO 0.00 0.10 -0.24 -0.31 -1.51 0.00 0.00 177.10 175.14 1usq s TYR 128 N 0.82 2.38 0.01 2.20 2.02 0.13 -1.50 117.35 123.42 1usq s TYR 128 Ca 0.07 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.38 1usq s TYR 128 Cb -0.13 -1.45 -0.01 0.00 -0.40 0.00 0.00 41.96 39.97 1usq s TYR 128 CO 0.02 0.09 -0.02 0.99 -1.57 0.00 0.00 175.55 175.06 1usq s THR 129 N -0.75 0.12 -0.08 -0.71 2.01 -0.43 -0.52 115.64 115.27 1usq s THR 129 Ca 0.12 -0.59 -0.00 0.00 0.31 0.00 0.00 61.69 61.53 1usq s THR 129 Cb -0.10 -0.21 0.02 0.00 0.01 0.00 0.00 72.50 72.22 1usq s THR 129 CO 0.01 -0.29 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.39 1usq s LEU 130 N -0.92 1.00 -0.20 4.42 2.96 0.36 -0.78 118.68 125.53 1usq s LEU 130 Ca -0.09 -0.19 -0.04 0.00 -0.22 0.00 0.00 54.13 53.59 1usq s LEU 130 Cb -0.06 -0.62 -0.02 0.00 0.50 0.00 0.00 46.19 45.99 1usq s LEU 130 CO -0.01 -0.13 -0.03 -0.89 -1.32 0.00 0.00 176.35 173.97 1usq s THR 131 N 1.62 3.62 -0.10 3.68 2.01 -1.26 -0.31 115.64 124.90 1usq s THR 131 Ca 0.01 -0.43 0.03 0.00 0.31 0.00 0.00 61.69 61.62 1usq s THR 131 Cb -0.13 -2.62 0.00 0.00 0.01 0.00 0.00 72.50 69.76 1usq s THR 131 CO -0.05 0.44 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.35 1usq s LEU 132 N 1.05 2.02 -0.09 4.42 1.43 -0.24 -1.81 118.68 125.46 1usq s LEU 132 Ca 0.01 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1usq s LEU 132 Cb -0.15 -1.32 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 1usq s LEU 132 CO 0.01 0.13 -0.08 -0.89 0.23 0.00 0.00 176.35 175.75 1usq s THR 133 N 0.47 3.61 0.39 5.49 2.01 -0.10 -0.95 115.64 126.56 1usq s THR 133 Ca -0.16 -0.50 -0.22 0.00 0.31 0.00 0.00 61.69 61.12 1usq s THR 133 Cb -0.17 -2.49 -0.11 0.00 0.01 0.00 0.00 72.50 69.74 1usq s THR 133 CO 0.06 0.58 0.93 -0.83 -0.69 0.00 0.00 174.62 174.67 1usq s GLY 134 N -0.51 2.49 0.00 4.40 0.00 -0.38 -0.92 107.32 112.40 1usq s GLY 134 Ca 0.08 0.39 0.00 0.00 0.00 0.00 0.00 44.72 45.19 1usq s GLY 134 CO 0.02 0.71 0.00 0.61 0.00 0.00 0.00 173.10 174.44 1usq n GLY 135 N -0.31 -0.61 3.02 0.20 0.00 -0.55 -1.47 105.19 105.48 1usq n GLY 135 Ca 0.05 -0.56 -0.08 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.23 0.33 0.34 1.61 1.13 -0.56 -1.06 117.35 115.92 1usq s TYR 136 Ca 0.00 -0.69 0.07 0.00 -1.41 0.00 0.00 57.07 55.05 1usq s TYR 136 Cb 0.00 -0.25 -0.03 0.00 -1.10 0.00 0.00 41.96 40.59 1usq s TYR 136 CO 0.00 -0.26 0.29 -0.46 -2.51 0.00 0.00 175.55 172.61 1usq s TRP 137 N -2.29 2.88 0.00 -3.49 -0.00 -0.18 -0.49 118.94 115.38 1usq s TRP 137 Ca -0.08 -0.32 0.00 0.00 -0.00 0.00 0.00 56.10 55.70 1usq s TRP 137 Cb -0.04 -1.81 0.00 0.00 -0.00 0.00 0.00 33.47 31.62 1usq s TRP 137 CO -0.04 0.17 0.07 0.00 -0.00 0.00 0.00 176.95 177.15