#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1usp n VAL 4 N 0.00 0.00 -3.60 3.44 0.24 -1.26 -4.95 118.33 112.20 1usp n VAL 4 Ca 0.00 -0.01 -0.11 0.00 -2.04 0.00 0.00 64.34 62.18 1usp n VAL 4 Cb 0.00 0.61 -0.06 0.00 -1.47 0.00 0.00 33.84 32.92 1usp n VAL 4 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1usp s TYR 5 N -2.98 -0.51 -0.06 6.34 5.04 -1.26 -5.16 117.35 118.76 1usp s TYR 5 Ca 0.10 1.09 0.01 0.00 -2.44 0.00 0.00 57.07 55.83 1usp s TYR 5 Cb 0.17 0.38 0.02 0.00 0.35 0.00 0.00 41.96 42.88 1usp s TYR 5 CO 0.77 -0.34 -0.07 0.99 -1.34 0.00 0.00 175.55 175.57 1usp s THR 6 N -0.38 0.74 0.10 4.34 2.01 -1.26 -5.15 115.64 116.04 1usp s THR 6 Ca -0.01 -0.22 0.04 0.00 0.31 0.00 0.00 61.69 61.81 1usp s THR 6 Cb -0.03 -0.75 -0.04 0.00 0.01 0.00 0.00 72.50 71.70 1usp s THR 6 CO -0.01 0.28 0.07 0.00 -0.69 0.00 0.00 174.62 174.27 1usp s ALA 7 N 1.03 3.50 -0.01 7.40 0.00 -1.26 -5.13 121.76 127.29 1usp s ALA 7 Ca -0.09 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 50.81 1usp s ALA 7 Cb -0.14 -1.36 0.00 0.00 0.00 0.00 0.00 23.12 21.62 1usp s ALA 7 CO -0.00 0.70 -0.05 -2.00 0.00 0.00 0.00 175.76 174.41 1usp s GLU 8 N -2.49 0.44 0.01 0.00 2.12 -1.26 -5.08 118.70 112.44 1usp s GLU 8 Ca 0.29 -0.15 -0.03 0.00 0.36 0.00 0.00 54.97 55.43 1usp s GLU 8 Cb -0.12 -0.44 -0.01 0.00 0.26 0.00 0.00 34.13 33.82 1usp s GLU 8 CO 0.21 0.07 0.04 0.00 -0.54 0.00 0.00 175.26 175.05 1usp s ALA 9 N 0.06 -0.07 -0.06 6.30 0.00 -1.26 -1.16 121.76 125.57 1usp s ALA 9 Ca -0.00 -0.37 0.04 0.00 0.00 0.00 0.00 51.96 51.63 1usp s ALA 9 Cb -0.04 0.12 -0.00 0.00 0.00 0.00 0.00 23.12 23.20 1usp s ALA 9 CO -0.00 -0.17 -0.19 0.99 0.00 0.00 0.00 175.76 176.38 1usp s THR 10 N -1.37 1.64 -0.06 0.00 2.01 0.17 -4.92 115.64 113.10 1usp s THR 10 Ca -0.15 -0.81 0.04 0.00 0.31 0.00 0.00 61.69 61.08 1usp s THR 10 Cb -0.09 -1.41 -0.02 0.00 0.01 0.00 0.00 72.50 70.99 1usp s THR 10 CO 0.00 0.47 -0.18 0.00 -0.69 0.00 0.00 174.62 174.22 1usp s ALA 11 N 0.14 2.47 0.42 7.40 0.00 -1.26 -1.30 121.76 129.63 1usp s ALA 11 Ca -0.08 -1.00 0.08 0.00 0.00 0.00 0.00 51.96 50.96 1usp s ALA 11 Cb -0.14 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.08 1usp s ALA 11 CO 0.04 0.46 0.44 0.95 0.00 0.00 0.00 175.76 177.66 1usp s THR 12 N -0.38 2.77 0.37 0.00 -4.23 -0.48 -4.98 115.64 108.70 1usp s THR 12 Ca 0.03 -1.23 0.03 0.00 -1.18 0.00 0.00 61.69 59.35 1usp s THR 12 Cb -0.12 -3.00 0.03 0.00 1.34 0.00 0.00 72.50 70.75 1usp s THR 12 CO 0.02 0.00 0.23 0.61 -0.54 0.00 0.00 174.62 174.94 1usp n GLY 13 N -1.65 3.00 0.71 3.99 0.00 -1.26 -3.76 105.19 106.22 1usp n GLY 13 Ca 0.05 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.80 1usp n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1usp n GLY 14 N 0.54 0.80 5.00 -0.02 0.00 -1.26 -3.61 105.19 106.64 1usp n GLY 14 Ca -0.04 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1usp n GLY 14 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1usp n ARG 15 N -0.37 0.00 0.00 1.61 0.00 -1.26 -4.47 116.66 112.18 1usp n ARG 15 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1usp n ARG 15 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.73 1usp n ARG 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1usp n ALA 16 N 0.00 2.12 -1.76 2.89 0.00 -1.26 -4.85 120.51 117.65 1usp n ALA 16 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1usp n ALA 16 Cb 0.00 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.46 1usp n ALA 16 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1usp s GLY 17 N 0.85 2.79 0.07 0.00 0.00 -1.24 -4.89 107.32 104.90 1usp s GLY 17 Ca 0.00 1.04 0.00 0.00 0.00 0.00 0.00 44.72 45.77 1usp s GLY 17 CO 0.00 1.49 -0.05 -0.51 0.00 0.00 0.00 173.10 174.03 1usp s THR 18 N -1.51 0.46 -0.04 0.90 -4.23 -1.25 -1.43 115.64 108.55 1usp s THR 18 Ca 0.69 -1.82 0.01 0.00 -1.18 0.00 0.00 61.69 59.39 1usp s THR 18 Cb -0.32 -1.53 0.02 0.00 1.34 0.00 0.00 72.50 72.01 1usp s THR 18 CO 0.37 -0.90 -0.06 0.28 -0.54 0.00 0.00 174.62 173.77 1usp s THR 19 N -3.62 0.63 -0.05 3.99 -1.32 0.20 -1.39 115.64 114.07 1usp s THR 19 Ca 0.08 -0.20 -0.02 0.00 -1.21 0.00 0.00 61.69 60.34 1usp s THR 19 Cb 0.06 -0.62 0.04 0.00 -1.51 0.00 0.00 72.50 70.47 1usp s THR 19 CO -0.07 0.23 0.11 -0.13 -2.21 0.00 0.00 174.62 172.56 1usp s ARG 20 N 0.71 0.05 0.51 7.08 0.52 -0.42 -1.63 118.95 125.77 1usp s ARG 20 Ca -0.10 0.34 -0.18 0.00 -0.52 0.00 0.00 55.73 55.27 1usp s ARG 20 Cb -0.13 -0.22 -0.08 0.00 0.52 0.00 0.00 34.95 35.04 1usp s ARG 20 CO 0.01 -0.18 1.01 -1.54 0.02 0.00 0.00 175.30 174.61 1usp s SER 21 N 1.28 6.42 0.66 0.23 1.04 -0.43 -0.66 113.70 122.24 1usp s SER 21 Ca -0.08 1.72 0.44 0.00 0.48 0.00 0.00 55.95 58.51 1usp s SER 21 Cb -0.12 -2.53 2.37 0.00 0.10 0.00 0.00 66.02 65.84 1usp s SER 21 CO -0.05 -0.72 2.36 0.77 0.98 0.00 0.00 173.24 176.57 1usp h SER 22 N 1.11 0.00 -0.45 7.02 4.64 -1.48 -2.54 113.55 121.85 1usp h SER 22 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1usp h SER 22 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1usp h SER 22 CO 0.60 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.66 1usp n ASP 23 N -3.12 3.35 0.00 4.97 5.68 -1.26 -4.98 116.55 121.19 1usp n ASP 23 Ca -0.03 -2.09 0.00 0.00 -0.50 0.00 0.00 54.79 52.17 1usp n ASP 23 Cb 0.08 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 39.73 1usp n ASP 23 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1usp n ASP 24 N 0.76 -1.28 0.03 -1.12 10.43 -0.96 -4.87 116.55 119.54 1usp n ASP 24 Ca 0.16 0.00 -0.03 0.00 2.57 0.00 0.00 54.79 57.49 1usp n ASP 24 Cb 0.53 -1.43 0.21 0.00 1.84 0.00 0.00 41.12 42.28 1usp n ASP 24 CO 0.00 0.00 0.00 0.03 -1.07 0.00 0.00 177.20 176.16 1usp h ARG 25 N 1.25 0.44 -5.21 -1.24 3.08 -1.94 -3.40 114.38 107.35 1usp h ARG 25 Ca 0.00 -0.17 -0.65 0.00 0.07 0.00 0.00 59.98 59.23 1usp h ARG 25 Cb 0.14 -0.03 -0.26 0.00 0.08 0.00 0.00 29.97 29.90 1usp h ARG 25 CO 0.00 0.67 -0.74 -0.51 -1.07 0.00 0.00 179.97 178.32 1usp s LEU 26 N -8.62 2.84 -0.43 3.04 1.43 -1.26 -5.01 118.68 110.67 1usp s LEU 26 Ca -0.06 -0.32 0.05 0.00 -1.03 0.00 0.00 54.13 52.76 1usp s LEU 26 Cb 0.14 -1.67 0.18 0.00 0.03 0.00 0.00 46.19 44.86 1usp s LEU 26 CO 0.78 0.11 0.43 -3.20 0.23 0.00 0.00 176.35 174.70 1usp n ASN 27 N 3.94 -1.14 -4.39 2.29 5.15 -1.26 -1.31 115.26 118.54 1usp n ASN 27 Ca -0.18 -2.50 -0.32 0.00 -0.60 0.00 0.00 54.58 50.98 1usp n ASN 27 Cb 0.52 -0.04 -0.15 0.00 -0.53 0.00 0.00 39.78 39.58 1usp n ASN 27 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1usp s LEU 28 N 0.21 2.41 0.44 1.20 1.43 -0.64 -5.00 118.68 118.72 1usp s LEU 28 Ca 0.32 -0.33 -0.14 0.00 -1.03 0.00 0.00 54.13 52.95 1usp s LEU 28 Cb 0.03 -1.46 -0.08 0.00 0.03 0.00 0.00 46.19 44.72 1usp s LEU 28 CO -0.17 0.32 0.86 -1.81 0.23 0.00 0.00 176.35 175.79 1usp s ASP 29 N -0.60 6.63 -0.05 2.29 1.01 -1.26 -0.63 116.67 124.05 1usp s ASP 29 Ca 0.09 1.36 0.06 0.00 0.71 0.00 0.00 52.55 54.77 1usp s ASP 29 Cb -0.11 -2.42 -0.02 0.00 1.01 0.00 0.00 42.92 41.39 1usp s ASP 29 CO 0.00 -0.44 -0.22 -0.76 0.21 0.00 0.00 175.17 173.96 1usp s LEU 30 N -3.76 2.28 0.01 1.23 1.43 -0.51 -1.09 118.68 118.27 1usp s LEU 30 Ca 0.55 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 53.27 1usp s LEU 30 Cb -0.10 -1.43 -0.01 0.00 0.03 0.00 0.00 46.19 44.68 1usp s LEU 30 CO 0.28 0.29 -0.06 -0.44 0.23 0.00 0.00 176.35 176.64 1usp s SER 31 N -0.41 0.72 -0.11 2.29 0.01 -0.08 -4.40 113.70 111.72 1usp s SER 31 Ca 0.04 -0.26 -0.26 0.00 1.31 0.00 0.00 55.95 56.77 1usp s SER 31 Cb -0.12 -0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.06 1usp s SER 31 CO 0.02 -0.03 0.87 -0.69 0.41 0.00 0.00 173.24 173.81 1usp s VAL 32 N -0.58 4.89 0.50 3.43 1.01 -1.26 -4.43 120.40 123.96 1usp s VAL 32 Ca -0.02 1.75 -0.23 0.00 0.00 0.00 0.00 61.98 63.47 1usp s VAL 32 Cb -0.05 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 32.08 1usp s VAL 32 CO 0.00 0.08 1.39 -2.84 0.00 0.00 0.00 175.10 173.73 1usp s PRO 33 N 1.72 3.42 0.51 2.72 0.02 -1.26 -2.11 135.00 140.01 1usp s PRO 33 Ca 0.42 2.31 0.24 0.00 0.02 0.00 0.00 61.00 63.99 1usp s PRO 33 Cb -0.18 -2.45 1.33 0.00 0.02 0.00 0.00 34.50 33.22 1usp s PRO 33 CO 0.17 -0.99 1.97 0.00 -0.33 0.00 0.00 177.00 177.81 1usp h ALA 34 N 1.89 2.46 0.00 -1.55 0.00 -1.87 -1.81 119.26 118.37 1usp h ALA 34 Ca -0.51 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1usp h ALA 34 Cb 1.28 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1usp h ALA 34 CO 0.59 -0.63 0.00 0.39 0.00 0.00 0.00 179.25 179.60 1usp n GLU 35 N -4.39 0.12 -0.10 0.00 4.71 -1.26 -4.20 120.64 115.53 1usp n GLU 35 Ca 0.12 0.00 0.03 0.00 -0.01 0.00 0.00 57.16 57.30 1usp n GLU 35 Cb 0.63 -1.38 0.08 0.00 -1.01 0.00 0.00 31.44 29.76 1usp n GLU 35 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1usp n GLY 37 N 0.87 3.17 3.89 0.62 0.00 -1.18 -5.23 105.19 107.32 1usp n GLY 37 Ca 0.00 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 1usp n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1usp n GLY 38 N -0.25 0.11 0.01 -0.02 0.00 -0.69 -5.00 105.19 99.35 1usp n GLY 38 Ca 0.07 -1.95 0.15 0.00 0.00 0.00 0.00 46.02 44.28 1usp n GLY 38 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1usp n ASP 39 N -3.14 0.06 -1.93 1.61 5.68 -1.14 -3.79 116.55 113.89 1usp n ASP 39 Ca 0.17 -0.04 -0.15 0.00 -0.50 0.00 0.00 54.79 54.26 1usp n ASP 39 Cb 0.59 -0.30 0.01 0.00 -1.14 0.00 0.00 41.12 40.28 1usp n ASP 39 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1usp n GLY 40 N 1.34 -0.21 3.62 6.12 0.00 -0.90 -4.79 105.19 110.37 1usp n GLY 40 Ca 0.12 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 1usp n GLY 40 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1usp s GLY 41 N -2.55 1.59 0.00 -0.02 0.00 -1.26 -4.87 107.32 100.21 1usp s GLY 41 Ca 0.10 -0.94 0.24 0.00 0.00 0.00 0.00 44.72 44.12 1usp s GLY 41 CO 0.12 -0.07 1.78 -1.55 0.00 0.00 0.00 173.10 173.38 1usp n PRO 42 N -4.67 0.05 -1.36 2.90 -0.04 -1.26 -4.79 135.00 125.83 1usp n PRO 42 Ca 0.13 0.08 -0.32 0.00 -0.04 0.00 0.00 63.50 63.35 1usp n PRO 42 Cb 0.59 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.64 1usp n PRO 42 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1usp s GLY 43 N -2.94 1.94 0.17 0.55 0.00 -1.26 -4.93 107.32 100.85 1usp s GLY 43 Ca 0.13 0.51 -0.02 0.00 0.00 0.00 0.00 44.72 45.34 1usp s GLY 43 CO 0.43 0.88 0.24 -0.37 0.00 0.00 0.00 173.10 174.28 1usp n THR 44 N -3.15 0.00 -3.93 0.90 5.66 -0.25 -3.58 114.28 109.93 1usp n THR 44 Ca 0.11 -0.25 -0.09 0.00 -3.05 0.00 0.00 64.05 60.76 1usp n THR 44 Cb 0.52 -1.62 -0.06 0.00 -1.55 0.00 0.00 70.33 67.63 1usp n THR 44 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1usp s ASN 45 N -1.91 -0.08 0.30 1.09 2.20 -1.26 -0.90 114.94 114.38 1usp s ASN 45 Ca 0.14 -0.82 -0.01 0.00 -0.94 0.00 0.00 52.86 51.23 1usp s ASN 45 Cb -0.01 0.53 0.48 0.00 -2.00 0.00 0.00 41.25 40.25 1usp s ASN 45 CO 0.10 -1.03 1.94 -0.65 -2.94 0.00 0.00 177.10 174.52 1usp h PRO 46 N 2.35 1.05 -0.51 3.55 0.11 -1.99 -0.27 132.00 136.30 1usp h PRO 46 Ca -0.29 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 65.65 1usp h PRO 46 Cb 1.25 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 1usp h PRO 46 CO 0.41 0.70 -0.12 0.93 -0.21 0.00 0.00 178.00 179.70 1usp h GLU 47 N 1.09 0.99 -0.48 1.05 3.07 -1.98 -0.25 114.58 118.06 1usp h GLU 47 Ca 0.35 -0.38 -0.10 0.00 -0.50 0.00 0.00 59.36 58.73 1usp h GLU 47 Cb 0.03 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 1usp h GLU 47 CO -0.10 1.05 -0.09 0.37 -1.40 0.00 0.00 179.01 178.84 1usp h GLN 48 N 0.85 0.88 -0.48 2.33 4.15 -1.79 -1.38 115.11 119.66 1usp h GLN 48 Ca 0.13 -0.30 -0.10 0.00 0.77 0.00 0.00 58.65 59.15 1usp h GLN 48 Cb 0.69 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.29 1usp h GLN 48 CO 0.05 0.93 -0.11 -0.07 -1.93 0.00 0.00 178.83 177.71 1usp h LEU 49 N 0.79 0.88 -0.69 -2.39 3.38 -0.78 -1.10 115.31 115.41 1usp h LEU 49 Ca 0.13 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1usp h LEU 49 Cb 0.61 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1usp h LEU 49 CO 0.04 1.01 0.24 0.15 0.09 0.00 0.00 178.44 179.97 1usp h PHE 50 N 0.80 1.08 -0.15 1.13 3.57 -0.81 -0.25 116.94 122.31 1usp h PHE 50 Ca 0.13 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1usp h PHE 50 Cb 0.63 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 1usp h PHE 50 CO 0.04 0.85 0.05 0.00 -2.23 0.00 0.00 178.31 177.02 1usp h ALA 51 N 1.11 0.19 -0.78 2.41 0.00 -0.99 0.11 119.26 121.31 1usp h ALA 51 Ca 0.23 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1usp h ALA 51 Cb 0.26 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1usp h ALA 51 CO -0.01 -0.21 0.33 0.00 0.00 0.00 0.00 179.25 179.36 1usp h ALA 52 N 0.89 1.02 -0.28 0.00 0.00 -0.96 -1.67 119.26 118.25 1usp h ALA 52 Ca 0.05 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 1usp h ALA 52 Cb 0.19 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1usp h ALA 52 CO -0.00 0.62 -0.52 0.78 0.00 0.00 0.00 179.25 180.13 1usp h GLY 53 N 1.13 0.93 1.06 0.00 0.00 -0.82 -2.49 103.07 102.87 1usp h GLY 53 Ca 0.26 -1.08 -0.13 0.00 0.00 0.00 0.00 47.33 46.39 1usp h GLY 53 CO -0.03 0.97 -0.24 -1.82 0.00 0.00 0.00 176.54 175.43 1usp h TYR 54 N 0.62 1.03 -0.72 5.60 5.03 -0.61 0.01 116.97 127.94 1usp h TYR 54 Ca 0.01 -0.27 -0.02 0.00 2.58 0.00 0.00 58.73 61.04 1usp h TYR 54 Cb 1.13 -0.23 -0.03 0.00 1.55 0.00 0.00 36.73 39.14 1usp h TYR 54 CO 0.08 1.06 0.38 0.00 -1.32 0.00 0.00 178.16 178.36 1usp h ALA 55 N 0.81 0.92 -0.57 1.82 0.00 -1.35 -1.57 119.26 119.31 1usp h ALA 55 Ca 0.09 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1usp h ALA 55 Cb 0.81 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1usp h ALA 55 CO 0.07 0.45 0.04 0.00 0.00 0.00 0.00 179.25 179.81 1usp h ALA 56 N 1.19 1.00 -0.56 0.00 0.00 -1.15 -2.38 119.26 117.36 1usp h ALA 56 Ca 0.25 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1usp h ALA 56 Cb 0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1usp h ALA 56 CO -0.04 0.62 -0.05 0.00 0.00 0.00 0.00 179.25 179.78 1usp h PHE 58 N 0.92 0.85 -0.60 0.00 -1.00 -1.15 0.66 116.94 116.62 1usp h PHE 58 Ca 0.16 -0.12 -0.09 0.00 2.81 0.00 0.00 57.97 60.73 1usp h PHE 58 Cb 0.60 -0.23 -0.02 0.00 3.61 0.00 0.00 35.95 39.91 1usp h PHE 58 CO 0.04 0.79 0.04 1.96 -1.61 0.00 0.00 178.31 179.53 1usp h GLN 59 N 0.74 1.03 -0.65 1.51 1.08 -1.02 -0.10 115.11 117.70 1usp h GLN 59 Ca 0.14 -0.31 -0.04 0.00 -1.45 0.00 0.00 58.65 56.99 1usp h GLN 59 Cb 0.47 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.77 1usp h GLN 59 CO 0.02 1.00 0.26 0.78 -0.95 0.00 0.00 178.83 179.94 1usp h GLY 60 N 0.93 1.04 1.32 3.46 0.00 -0.94 -2.12 103.07 106.76 1usp h GLY 60 Ca 0.17 -0.57 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 1usp h GLY 60 CO 0.02 0.53 0.21 0.00 0.00 0.00 0.00 176.54 177.31 1usp h ALA 61 N 1.11 1.27 -0.43 3.60 0.00 -0.60 -0.50 119.26 123.72 1usp h ALA 61 Ca 0.22 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1usp h ALA 61 Cb 0.20 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1usp h ALA 61 CO -0.02 0.53 0.09 -0.07 0.00 0.00 0.00 179.25 179.78 1usp h LEU 62 N 0.85 0.60 -0.44 0.00 3.38 -0.75 -0.29 115.31 118.66 1usp h LEU 62 Ca 0.20 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1usp h LEU 62 Cb 0.20 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1usp h LEU 62 CO -0.01 0.61 0.21 1.23 0.09 0.00 0.00 178.44 180.56 1usp h GLY 63 N 0.86 0.68 0.99 0.83 0.00 -0.57 -1.75 103.07 104.11 1usp h GLY 63 Ca 0.14 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 1usp h GLY 63 CO -0.00 0.32 0.20 -2.08 0.00 0.00 0.00 176.54 174.98 1usp h VAL 64 N 0.57 1.23 -0.54 4.60 2.07 -0.73 -2.83 116.25 120.63 1usp h VAL 64 Ca 0.15 -0.76 -0.11 0.00 0.82 0.00 0.00 66.70 66.80 1usp h VAL 64 Cb 0.12 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1usp h VAL 64 CO -0.02 0.29 -0.10 0.58 0.02 0.00 0.00 177.57 178.34 1usp h VAL 65 N 0.79 1.27 -0.48 2.57 2.07 -0.92 -2.30 116.25 119.25 1usp h VAL 65 Ca 0.19 -1.26 -0.12 0.00 0.82 0.00 0.00 66.70 66.33 1usp h VAL 65 Cb 0.25 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1usp h VAL 65 CO -0.01 0.44 -0.17 0.77 0.02 0.00 0.00 177.57 178.63 1usp h SER 66 N 0.91 0.98 -0.07 0.57 4.64 -1.23 -1.15 113.55 118.19 1usp h SER 66 Ca 0.14 -0.38 -0.01 0.00 -0.47 0.00 0.00 61.79 61.07 1usp h SER 66 Cb 0.67 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1usp h SER 66 CO 0.05 1.13 -0.01 0.03 -0.87 0.00 0.00 176.83 177.16 1usp h ARG 67 N 0.81 0.13 -0.35 4.77 3.08 -1.46 0.75 114.38 122.10 1usp h ARG 67 Ca 0.12 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.05 1usp h ARG 67 Cb 0.73 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 1usp h ARG 67 CO 0.06 0.43 -0.09 0.00 -1.07 0.00 0.00 179.97 179.30 1usp h ARG 68 N -0.18 0.60 -0.51 0.04 3.08 -1.40 -3.03 114.38 112.98 1usp h ARG 68 Ca 0.02 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1usp h ARG 68 Cb 0.37 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1usp h ARG 68 CO 0.01 0.68 0.00 1.04 -1.07 0.00 0.00 179.97 180.63 1usp n GLN 69 N -4.21 2.58 -4.07 0.04 6.02 -0.44 -4.97 117.38 112.35 1usp n GLN 69 Ca 0.01 -2.42 -0.34 0.00 -0.01 0.00 0.00 57.00 54.25 1usp n GLN 69 Cb 0.32 -1.53 -0.00 0.00 1.02 0.00 0.00 30.24 30.04 1usp n GLN 69 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1usp n LYS 70 N 1.55 -4.13 -3.76 -1.09 4.01 -0.15 -4.97 118.16 109.61 1usp n LYS 70 Ca 0.21 0.47 -0.21 0.00 -0.51 0.00 0.00 58.31 58.27 1usp n LYS 70 Cb 0.61 -5.27 -0.03 0.00 -0.51 0.00 0.00 35.03 29.83 1usp n LYS 70 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1usp s ILE 71 N -3.27 3.88 -0.23 -0.18 1.01 0.07 -5.03 121.20 117.46 1usp s ILE 71 Ca 0.71 -1.25 0.02 0.00 0.00 0.00 0.00 60.65 60.13 1usp s ILE 71 Cb -0.37 -3.31 0.05 0.00 0.01 0.00 0.00 42.46 38.83 1usp s ILE 71 CO 0.87 -0.20 -0.13 -1.81 0.00 0.00 0.00 174.94 173.67 1usp s ASP 72 N -4.03 4.01 -0.17 3.58 1.01 -1.26 -4.61 116.67 115.20 1usp s ASP 72 Ca 0.41 -1.16 -0.17 0.00 0.71 0.00 0.00 52.55 52.34 1usp s ASP 72 Cb -0.07 -1.49 -0.04 0.00 1.01 0.00 0.00 42.92 42.33 1usp s ASP 72 CO 0.28 -0.14 0.43 -0.69 0.21 0.00 0.00 175.17 175.25 1usp s VAL 73 N 1.18 5.20 0.10 -1.27 1.01 -1.26 -5.00 120.40 120.36 1usp s VAL 73 Ca -0.05 0.79 -0.20 0.00 0.00 0.00 0.00 61.98 62.53 1usp s VAL 73 Cb -0.18 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1usp s VAL 73 CO -0.07 0.28 1.17 -2.65 0.00 0.00 0.00 175.10 173.83 1usp n PRO 74 N 4.17 -0.28 0.00 2.72 -0.02 -1.26 -4.98 135.00 135.36 1usp n PRO 74 Ca -0.08 1.15 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 1usp n PRO 74 Cb 0.51 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 1usp n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1usp n ALA 75 N -3.25 -0.89 -0.40 3.55 0.00 -1.26 -4.85 120.51 113.42 1usp n ALA 75 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1usp n ALA 75 Cb 0.16 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.25 1usp n ALA 75 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1usp n ASP 76 N -0.83 0.00 -4.77 0.00 5.75 -1.26 -4.86 116.55 110.58 1usp n ASP 76 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 54.79 54.40 1usp n ASP 76 Cb 0.00 -0.62 -0.01 0.00 -1.03 0.00 0.00 41.12 39.46 1usp n ASP 76 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1usp s SER 77 N -3.04 6.22 -0.01 -1.12 0.01 -1.26 -4.67 113.70 109.82 1usp s SER 77 Ca 0.00 2.42 0.00 0.00 1.31 0.00 0.00 55.95 59.69 1usp s SER 77 Cb 0.00 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.63 1usp s SER 77 CO 0.00 -0.89 0.00 0.28 0.41 0.00 0.00 173.24 173.04 1usp s THR 78 N -1.43 0.03 -0.13 1.44 -1.32 -0.37 -5.00 115.64 108.87 1usp s THR 78 Ca 0.61 0.06 0.02 0.00 -1.21 0.00 0.00 61.69 61.17 1usp s THR 78 Cb -0.32 -0.09 0.01 0.00 -1.51 0.00 0.00 72.50 70.59 1usp s THR 78 CO 0.40 0.05 -0.19 -0.63 -2.21 0.00 0.00 174.62 172.04 1usp s ILE 79 N 0.42 1.85 -0.21 5.08 -1.09 -1.26 -1.29 121.20 124.70 1usp s ILE 79 Ca -0.04 -0.85 -0.03 0.00 -2.23 0.00 0.00 60.65 57.50 1usp s ILE 79 Cb -0.06 -1.65 -0.01 0.00 -1.58 0.00 0.00 42.46 39.16 1usp s ILE 79 CO -0.01 0.51 -0.05 -0.89 -1.23 0.00 0.00 174.94 173.26 1usp s THR 80 N 0.91 3.34 -0.16 2.92 2.01 -0.33 -4.86 115.64 119.47 1usp s THR 80 Ca -0.06 -0.51 -0.10 0.00 0.31 0.00 0.00 61.69 61.33 1usp s THR 80 Cb -0.15 -2.50 -0.05 0.00 0.01 0.00 0.00 72.50 69.81 1usp s THR 80 CO -0.02 0.44 0.18 0.00 -0.69 0.00 0.00 174.62 174.52 1usp s ALA 81 N 1.32 3.72 -0.22 7.40 0.00 -1.26 -0.65 121.76 132.07 1usp s ALA 81 Ca 0.04 -0.61 -0.01 0.00 0.00 0.00 0.00 51.96 51.37 1usp s ALA 81 Cb -0.14 -2.17 0.01 0.00 0.00 0.00 0.00 23.12 20.82 1usp s ALA 81 CO -0.02 0.28 -0.10 1.03 0.00 0.00 0.00 175.76 176.94 1usp s ARG 82 N -0.04 3.04 -0.22 0.00 0.52 -0.18 -4.88 118.95 117.19 1usp s ARG 82 Ca 0.12 -0.83 0.02 0.00 -0.52 0.00 0.00 55.73 54.52 1usp s ARG 82 Cb -0.12 -2.85 0.04 0.00 0.52 0.00 0.00 34.95 32.55 1usp s ARG 82 CO 0.01 -0.28 -0.13 0.08 0.02 0.00 0.00 175.30 175.01 1usp s VAL 83 N 1.35 1.92 -0.03 3.52 1.01 -1.26 -1.30 120.40 125.61 1usp s VAL 83 Ca 0.03 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 60.79 1usp s VAL 83 Cb -0.15 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 1usp s VAL 83 CO -0.07 0.17 0.01 -0.83 0.00 0.00 0.00 175.10 174.38 1usp s GLY 84 N 1.27 1.88 -0.18 4.51 0.00 0.53 -4.83 107.32 110.51 1usp s GLY 84 Ca -0.03 -0.89 -0.16 0.00 0.00 0.00 0.00 44.72 43.63 1usp s GLY 84 CO -0.08 -0.73 0.42 -2.27 0.00 0.00 0.00 173.10 170.44 1usp s LEU 85 N -1.34 4.20 -0.00 0.66 2.96 -1.26 -0.63 118.68 123.26 1usp s LEU 85 Ca 0.18 0.61 0.08 0.00 -0.22 0.00 0.00 54.13 54.78 1usp s LEU 85 Cb -0.11 -2.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.99 1usp s LEU 85 CO 0.08 -0.05 -0.26 -1.10 -1.32 0.00 0.00 176.35 173.70 1usp s GLN 86 N 1.07 2.02 0.10 1.98 -0.21 -0.07 -4.98 119.66 119.57 1usp s GLN 86 Ca 0.21 -0.97 -0.26 0.00 0.02 0.00 0.00 55.36 54.37 1usp s GLN 86 Cb -0.15 -2.01 -0.06 0.00 1.00 0.00 0.00 33.01 31.79 1usp s GLN 86 CO 0.08 0.54 0.79 0.15 -2.12 0.00 0.00 175.29 174.73 1usp s LYS 87 N -0.76 4.54 -0.44 2.91 1.02 -1.26 -1.15 119.74 124.61 1usp s LYS 87 Ca 0.10 1.14 0.07 0.00 0.02 0.00 0.00 55.97 57.30 1usp s LYS 87 Cb -0.10 -3.32 0.24 0.00 -0.52 0.00 0.00 37.83 34.12 1usp s LYS 87 CO -0.00 0.39 0.52 0.00 -0.92 0.00 0.00 175.35 175.34 1usp n ALA 88 N 2.33 2.75 -0.42 5.17 0.00 0.33 -4.89 120.51 125.78 1usp n ALA 88 Ca -0.03 -3.58 0.00 0.00 0.00 0.00 0.00 53.44 49.83 1usp n ALA 88 Cb 0.49 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.12 1usp n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1usp n GLY 89 N 1.57 3.00 0.07 0.00 0.00 -1.26 -1.50 105.19 107.07 1usp n GLY 89 Ca 0.24 -0.23 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1usp n GLY 89 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1usp n LEU 90 N 0.00 0.57 -4.98 0.99 4.77 -1.26 -4.91 117.00 112.18 1usp n LEU 90 Ca 0.00 -0.01 -0.20 0.00 -0.03 0.00 0.00 56.01 55.77 1usp n LEU 90 Cb 0.00 -0.24 0.02 0.00 -2.33 0.00 0.00 43.42 40.87 1usp n LEU 90 CO 0.00 0.12 0.25 0.00 -1.33 0.00 0.00 177.39 176.44 1usp s ALA 91 N -2.83 4.11 0.22 -1.18 0.00 -0.56 -5.13 121.76 116.39 1usp s ALA 91 Ca 0.16 -1.41 0.10 0.00 0.00 0.00 0.00 51.96 50.82 1usp s ALA 91 Cb 0.18 -1.90 -0.05 0.00 0.00 0.00 0.00 23.12 21.36 1usp s ALA 91 CO 0.62 -0.47 -0.20 -0.06 0.00 0.00 0.00 175.76 175.65 1usp s PHE 92 N -2.54 2.11 0.03 0.00 0.40 -1.26 -0.51 117.98 116.20 1usp s PHE 92 Ca 0.54 -0.40 -0.03 0.00 -0.60 0.00 0.00 56.93 56.43 1usp s PHE 92 Cb -0.10 -0.99 -0.02 0.00 0.51 0.00 0.00 43.02 42.43 1usp s PHE 92 CO 0.36 0.52 0.04 0.00 0.70 0.00 0.00 175.22 176.84 1usp s ALA 93 N -2.24 0.02 -0.07 5.36 0.00 -0.30 -4.85 121.76 119.69 1usp s ALA 93 Ca 0.23 -0.56 -0.11 0.00 0.00 0.00 0.00 51.96 51.52 1usp s ALA 93 Cb -0.05 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.20 1usp s ALA 93 CO 0.11 -0.24 0.28 -0.51 0.00 0.00 0.00 175.76 175.39 1usp s LEU 94 N -1.81 4.42 -0.17 0.00 1.43 -1.26 -0.89 118.68 120.41 1usp s LEU 94 Ca -0.10 0.71 -0.02 0.00 -1.03 0.00 0.00 54.13 53.69 1usp s LEU 94 Cb -0.05 -2.34 -0.01 0.00 0.03 0.00 0.00 46.19 43.82 1usp s LEU 94 CO -0.03 0.35 -0.10 -0.62 0.23 0.00 0.00 176.35 176.18 1usp s ASP 95 N -0.94 4.11 -0.05 2.29 2.15 0.19 -4.74 116.67 119.69 1usp s ASP 95 Ca 0.19 -0.35 0.02 0.00 0.43 0.00 0.00 52.55 52.84 1usp s ASP 95 Cb -0.14 -1.66 0.02 0.00 -0.30 0.00 0.00 42.92 40.83 1usp s ASP 95 CO 0.08 0.09 -0.09 -0.69 -0.17 0.00 0.00 175.17 174.40 1usp s VAL 96 N 0.79 0.89 0.04 1.11 1.01 -1.26 -0.35 120.40 122.62 1usp s VAL 96 Ca -0.04 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 61.66 1usp s VAL 96 Cb -0.15 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 1usp s VAL 96 CO 0.01 0.30 -0.15 -1.83 0.00 0.00 0.00 175.10 173.43 1usp s GLU 97 N 0.73 1.04 -0.12 2.72 -1.05 -0.42 -1.69 118.70 119.91 1usp s GLU 97 Ca -0.13 -0.77 0.02 0.00 -0.15 0.00 0.00 54.97 53.94 1usp s GLU 97 Cb -0.15 -1.06 0.01 0.00 -0.44 0.00 0.00 34.13 32.49 1usp s GLU 97 CO 0.02 0.27 -0.19 -0.51 0.95 0.00 0.00 175.26 175.80 1usp s LEU 98 N -1.08 1.93 -0.18 1.83 1.43 0.62 -1.01 118.68 122.23 1usp s LEU 98 Ca 0.03 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 1usp s LEU 98 Cb -0.08 -1.27 0.03 0.00 0.03 0.00 0.00 46.19 44.90 1usp s LEU 98 CO 0.01 0.06 -0.13 -0.70 0.23 0.00 0.00 176.35 175.82 1usp s GLU 99 N 0.81 2.29 0.14 1.70 2.12 0.18 -0.62 118.70 125.31 1usp s GLU 99 Ca -0.09 -0.76 -0.01 0.00 0.36 0.00 0.00 54.97 54.47 1usp s GLU 99 Cb -0.16 -2.35 -0.04 0.00 0.26 0.00 0.00 34.13 31.85 1usp s GLU 99 CO 0.00 -0.33 0.32 0.20 -0.54 0.00 0.00 175.26 174.91 1usp s GLY 100 N 1.40 1.98 -0.04 -1.50 0.00 -0.24 -1.18 107.32 107.74 1usp s GLY 100 Ca 0.02 -0.81 -0.01 0.00 0.00 0.00 0.00 44.72 43.92 1usp s GLY 100 CO -0.10 -0.77 0.03 -1.58 0.00 0.00 0.00 173.10 170.67 1usp s HIS 101 N -1.70 0.28 -0.44 1.90 2.46 -0.41 -0.68 115.29 116.69 1usp s HIS 101 Ca 0.37 0.07 0.02 0.00 0.47 0.00 0.00 55.06 55.99 1usp s HIS 101 Cb -0.12 -0.51 0.13 0.00 -0.13 0.00 0.00 32.58 31.95 1usp s HIS 101 CO 0.28 -0.19 0.23 -0.06 -2.47 0.00 0.00 174.74 172.52 1usp s PHE 102 N 1.68 2.02 0.07 3.88 0.40 -1.26 -1.23 117.98 123.54 1usp s PHE 102 Ca -0.01 -2.42 -0.35 0.00 -0.60 0.00 0.00 56.93 53.55 1usp s PHE 102 Cb -0.13 -1.92 -0.14 0.00 0.51 0.00 0.00 43.02 41.34 1usp s PHE 102 CO -0.03 -0.79 1.58 -2.30 0.70 0.00 0.00 175.22 174.38 1usp n PRO 103 N 3.59 1.84 -0.69 0.24 -0.02 -1.26 -2.07 135.00 136.63 1usp n PRO 103 Ca 0.08 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1usp n PRO 103 Cb 0.35 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1usp n PRO 103 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1usp n GLY 104 N 3.41 0.84 3.90 -1.23 0.00 -1.26 -4.76 105.19 106.09 1usp n GLY 104 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1usp n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1usp s LEU 105 N 0.00 4.36 0.81 0.99 1.43 -0.88 -5.10 118.68 120.29 1usp s LEU 105 Ca 0.00 0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 53.38 1usp s LEU 105 Cb 0.00 -2.76 0.08 0.00 0.03 0.00 0.00 46.19 43.55 1usp s LEU 105 CO 0.00 0.22 1.15 -0.94 0.23 0.00 0.00 176.35 177.02 1usp s SER 106 N -2.04 3.81 0.22 2.29 1.04 -1.26 -4.84 113.70 112.93 1usp s SER 106 Ca 0.30 2.15 -0.07 0.00 0.48 0.00 0.00 55.95 58.81 1usp s SER 106 Cb -0.13 -2.56 0.32 0.00 0.10 0.00 0.00 66.02 63.75 1usp s SER 106 CO 0.20 -2.51 1.79 -0.09 0.98 0.00 0.00 173.24 173.61 1usp h ARG 107 N -1.08 0.61 -0.81 4.02 2.43 -1.98 -1.21 114.38 116.35 1usp h ARG 107 Ca -0.45 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 58.65 1usp h ARG 107 Cb 1.27 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.64 1usp h ARG 107 CO 0.47 0.40 0.38 1.49 -1.51 0.00 0.00 179.97 181.20 1usp h GLU 108 N 0.62 1.17 -0.41 0.20 4.57 -1.98 0.15 114.58 118.91 1usp h GLU 108 Ca 0.34 -0.18 -0.07 0.00 -1.18 0.00 0.00 59.36 58.27 1usp h GLU 108 Cb 0.33 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 1usp h GLU 108 CO -0.25 0.91 -0.02 1.96 -1.18 0.00 0.00 179.01 180.43 1usp h GLN 109 N 1.16 0.74 -0.65 1.92 4.20 -1.80 -0.78 115.11 119.90 1usp h GLN 109 Ca 0.28 -0.25 -0.08 0.00 0.06 0.00 0.00 58.65 58.66 1usp h GLN 109 Cb 0.13 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 1usp h GLN 109 CO -0.03 0.83 0.09 0.00 -0.67 0.00 0.00 178.83 179.05 1usp h ALA 110 N 0.88 0.87 -0.35 3.87 0.00 -0.94 -1.98 119.26 121.61 1usp h ALA 110 Ca 0.11 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1usp h ALA 110 Cb 0.51 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1usp h ALA 110 CO 0.03 0.66 -0.05 0.93 0.00 0.00 0.00 179.25 180.81 1usp h GLU 111 N 1.02 0.66 -0.70 0.00 5.08 -0.82 -2.52 114.58 117.29 1usp h GLU 111 Ca 0.20 -0.23 0.15 0.00 -1.00 0.00 0.00 59.36 58.47 1usp h GLU 111 Cb 0.47 -0.05 -0.13 0.00 0.50 0.00 0.00 28.75 29.54 1usp h GLU 111 CO 0.02 0.80 -0.07 0.78 -1.00 0.00 0.00 179.01 179.53 1usp h GLY 112 N 0.45 0.67 -2.14 -3.84 0.00 -0.94 -2.42 103.07 94.85 1usp h GLY 112 Ca 0.09 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1usp h GLY 112 CO 0.03 -0.27 0.00 1.04 0.00 0.00 0.00 176.54 177.34 1usp n LEU 113 N -5.39 1.01 0.00 3.11 4.77 -0.76 -1.84 117.00 117.91 1usp n LEU 113 Ca 0.11 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 1usp n LEU 113 Cb 0.41 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1usp n LEU 113 CO 0.04 0.17 0.00 1.41 -1.33 0.00 0.00 177.39 177.69 1usp n HIS 115 N 0.92 0.00 -0.12 -1.77 8.25 -0.91 -1.12 115.22 120.47 1usp n HIS 115 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.38 1usp n HIS 115 Cb 0.16 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.26 1usp n HIS 115 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1usp h ALA 116 N 0.00 0.47 -0.77 -1.41 0.00 -1.64 -1.75 119.26 114.16 1usp h ALA 116 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1usp h ALA 116 Cb 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1usp h ALA 116 CO 0.00 -0.05 0.32 0.00 0.00 0.00 0.00 179.25 179.52 1usp h ALA 117 N 1.11 1.11 -0.09 0.00 0.00 -1.39 -2.80 119.26 117.20 1usp h ALA 117 Ca 0.13 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1usp h ALA 117 Cb -0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1usp h ALA 117 CO -0.03 0.64 -0.18 1.25 0.00 0.00 0.00 179.25 180.93 1usp h HIS 118 N 1.11 0.14 -0.12 0.00 6.17 -1.69 0.13 115.15 120.90 1usp h HIS 118 Ca 0.26 -0.02 -0.17 0.00 0.71 0.00 0.00 60.37 61.15 1usp h HIS 118 Cb 0.19 -0.04 -0.01 0.00 2.52 0.00 0.00 27.41 30.08 1usp h HIS 118 CO 0.02 0.32 -0.64 1.49 0.71 0.00 0.00 177.93 179.83 1usp h GLU 119 N 0.13 0.45 0.12 5.26 4.57 -1.11 -3.36 114.58 120.64 1usp h GLU 119 Ca 0.03 -0.32 -0.36 0.00 -1.18 0.00 0.00 59.36 57.53 1usp h GLU 119 Cb 0.40 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.03 1usp h GLU 119 CO 0.03 0.94 -1.98 0.28 -1.18 0.00 0.00 179.01 177.09 1usp n VAL 120 N -3.90 1.78 -1.68 0.32 0.31 -0.82 -4.88 118.33 109.46 1usp n VAL 120 Ca -0.04 -0.67 -0.47 0.00 -0.01 0.00 0.00 64.34 63.15 1usp n VAL 120 Cb 0.65 -1.70 -0.05 0.00 -0.91 0.00 0.00 33.84 31.83 1usp n VAL 120 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1usp h PRO 122 N 8.38 0.00 -0.63 0.00 0.13 -1.90 -2.06 132.00 135.91 1usp h PRO 122 Ca -0.48 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.57 1usp h PRO 122 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1usp h PRO 122 CO 0.93 0.09 0.04 1.88 -0.23 0.00 0.00 178.00 180.72 1usp h TYR 123 N 0.00 1.16 -0.56 1.56 -1.99 -1.96 0.02 116.97 115.20 1usp h TYR 123 Ca -0.00 -0.18 -0.05 0.00 2.00 0.00 0.00 58.73 60.50 1usp h TYR 123 Cb 0.20 -0.31 -0.02 0.00 2.00 0.00 0.00 36.73 38.60 1usp h TYR 123 CO 0.00 1.00 0.17 0.77 -0.00 0.00 0.00 178.16 180.11 1usp h SER 124 N 1.00 0.82 -0.72 3.88 0.02 -1.71 -1.90 113.55 114.93 1usp h SER 124 Ca 0.19 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1usp h SER 124 Cb 0.51 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.80 1usp h SER 124 CO 0.02 0.81 0.46 0.00 -1.14 0.00 0.00 176.83 176.99 1usp h ALA 125 N 1.04 0.91 -0.30 3.77 0.00 -1.19 -1.50 119.26 121.99 1usp h ALA 125 Ca 0.18 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1usp h ALA 125 Cb 0.28 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1usp h ALA 125 CO -0.01 0.35 0.01 0.00 0.00 0.00 0.00 179.25 179.61 1usp h ALA 126 N 1.25 1.46 -0.12 0.00 0.00 -0.73 -3.13 119.26 117.99 1usp h ALA 126 Ca 0.26 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1usp h ALA 126 Cb -0.08 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1usp h ALA 126 CO -0.05 0.39 0.00 0.25 0.00 0.00 0.00 179.25 179.83 1usp n THR 127 N -4.31 0.19 -1.65 0.00 -2.24 -0.74 -4.98 114.28 100.55 1usp n THR 127 Ca 0.01 -0.59 -0.45 0.00 -2.27 0.00 0.00 64.05 60.74 1usp n THR 127 Cb 0.22 1.20 -0.03 0.00 -2.10 0.00 0.00 70.33 69.62 1usp n THR 127 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1usp n ARG 128 N 1.00 1.84 -0.32 -0.78 0.63 -0.58 -1.66 116.66 116.79 1usp n ARG 128 Ca 0.12 0.65 0.00 0.00 -0.92 0.00 0.00 57.85 57.70 1usp n ARG 128 Cb 0.45 -2.26 0.00 0.00 0.45 0.00 0.00 32.46 31.10 1usp n ARG 128 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1usp n ASN 129 N 2.02 0.00 -0.11 6.15 3.02 -1.26 -4.68 115.26 120.39 1usp n ASN 129 Ca 0.12 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.50 1usp n ASN 129 Cb 0.30 -1.27 -0.10 0.00 -0.61 0.00 0.00 39.78 38.11 1usp n ASN 129 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1usp n ASN 130 N 0.00 2.17 -4.48 6.41 3.02 -0.70 -4.95 115.26 116.73 1usp n ASN 130 Ca 0.00 -0.04 -0.34 0.00 -0.03 0.00 0.00 54.58 54.17 1usp n ASN 130 Cb 0.00 -0.41 -0.12 0.00 -0.61 0.00 0.00 39.78 38.63 1usp n ASN 130 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1usp s VAL 131 N -2.43 3.98 -1.45 2.41 1.01 -0.66 -5.00 120.40 118.26 1usp s VAL 131 Ca -0.30 -0.31 -0.14 0.00 0.00 0.00 0.00 61.98 61.23 1usp s VAL 131 Cb 0.09 -2.78 0.05 0.00 0.00 0.00 0.00 36.38 33.74 1usp s VAL 131 CO 0.48 0.46 2.20 -0.67 0.00 0.00 0.00 175.10 177.57 1usp n ASP 132 N 3.88 3.95 -4.76 3.32 2.03 -1.26 -4.80 116.55 118.91 1usp n ASP 132 Ca -0.17 -2.85 -0.41 0.00 0.52 0.00 0.00 54.79 51.87 1usp n ASP 132 Cb 0.52 -1.66 -0.02 0.00 -0.72 0.00 0.00 41.12 39.25 1usp n ASP 132 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1usp s VAL 133 N 3.14 2.45 -0.21 5.18 1.01 -1.26 -4.68 120.40 126.02 1usp s VAL 133 Ca 0.47 0.41 -0.05 0.00 0.00 0.00 0.00 61.98 62.81 1usp s VAL 133 Cb 0.13 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 1usp s VAL 133 CO -0.08 0.08 0.00 -0.13 0.00 0.00 0.00 175.10 174.97 1usp s ARG 134 N -1.08 3.56 -0.20 2.72 0.52 -0.68 -5.01 118.95 118.78 1usp s ARG 134 Ca 0.56 -0.54 -0.09 0.00 -0.52 0.00 0.00 55.73 55.14 1usp s ARG 134 Cb -0.43 -3.10 -0.05 0.00 0.52 0.00 0.00 34.95 31.89 1usp s ARG 134 CO 0.50 -0.08 0.11 -0.51 0.02 0.00 0.00 175.30 175.35 1usp s LEU 135 N 1.24 4.09 0.07 2.53 1.43 -1.26 -0.27 118.68 126.51 1usp s LEU 135 Ca 0.03 0.18 0.04 0.00 -1.03 0.00 0.00 54.13 53.35 1usp s LEU 135 Cb -0.15 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 1usp s LEU 135 CO 0.01 0.17 -0.10 -0.54 0.23 0.00 0.00 176.35 176.11 1usp s LYS 136 N 0.43 0.72 -0.09 1.70 1.02 0.20 -4.98 119.74 118.76 1usp s LYS 136 Ca 0.07 -0.96 0.02 0.00 0.02 0.00 0.00 55.97 55.12 1usp s LYS 136 Cb -0.12 -0.52 0.01 0.00 -0.52 0.00 0.00 37.83 36.68 1usp s LYS 136 CO -0.01 0.10 -0.16 0.08 -0.92 0.00 0.00 175.35 174.44 1usp s VAL 137 N -1.75 1.47 -0.19 3.17 1.01 -1.26 -1.07 120.40 121.77 1usp s VAL 137 Ca -0.02 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 1usp s VAL 137 Cb -0.07 -1.32 -0.22 0.00 0.00 0.00 0.00 36.38 34.77 1usp s VAL 137 CO 0.01 0.43 0.08 -1.14 0.00 0.00 0.00 175.10 174.48 1usp n ARG 138 N 3.89 0.71 0.00 2.72 0.63 0.14 -4.93 116.66 119.82 1usp n ARG 138 Ca -0.21 0.20 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1usp n ARG 138 Cb 0.52 -1.62 0.00 0.00 0.45 0.00 0.00 32.46 31.81 1usp n ARG 138 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51