#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uc3 s ILE 2 N 0.00 4.80 0.34 4.25 1.01 -1.26 -4.69 121.20 125.65 1uc3 s ILE 2 Ca 0.00 -0.03 0.08 0.00 0.00 0.00 0.00 60.65 60.70 1uc3 s ILE 2 Cb 0.00 -3.15 -0.07 0.00 0.01 0.00 0.00 42.46 39.26 1uc3 s ILE 2 CO 0.00 0.48 -0.06 0.68 0.00 0.00 0.00 174.94 176.04 1uc3 s VAL 3 N 0.18 1.99 -0.05 2.92 -7.23 -1.26 -5.01 120.40 111.94 1uc3 s VAL 3 Ca 0.04 -2.14 0.12 0.00 -1.81 0.00 0.00 61.98 58.20 1uc3 s VAL 3 Cb -0.12 -2.68 0.23 0.00 0.56 0.00 0.00 36.38 34.37 1uc3 s VAL 3 CO 0.00 -0.17 1.10 -0.90 -0.31 0.00 0.00 175.10 174.82 1uc3 n ASP 4 N -0.77 0.91 -3.48 4.85 5.68 -1.26 -4.39 116.55 118.09 1uc3 n ASP 4 Ca -0.05 -2.42 -0.15 0.00 -0.50 0.00 0.00 54.79 51.67 1uc3 n ASP 4 Cb 0.64 -0.31 -0.04 0.00 -1.14 0.00 0.00 41.12 40.27 1uc3 n ASP 4 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1uc3 s SER 5 N -1.89 -0.61 0.09 -1.12 1.04 -1.26 -4.26 113.70 105.69 1uc3 s SER 5 Ca 0.20 0.39 0.00 0.00 0.48 0.00 0.00 55.95 57.02 1uc3 s SER 5 Cb 0.21 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.88 1uc3 s SER 5 CO -0.05 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.02 1uc3 n GLY 6 N 0.32 0.94 3.58 7.32 0.00 -1.26 -4.95 105.19 111.14 1uc3 n GLY 6 Ca -0.18 -1.34 -0.12 0.00 0.00 0.00 0.00 46.02 44.38 1uc3 n GLY 6 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uc3 s SER 7 N -4.00 -0.75 0.02 1.61 0.15 -1.26 -5.08 113.70 104.40 1uc3 s SER 7 Ca 0.00 1.37 0.05 0.00 0.70 0.00 0.00 55.95 58.07 1uc3 s SER 7 Cb 0.00 1.34 -0.03 0.00 -1.71 0.00 0.00 66.02 65.62 1uc3 s SER 7 CO 0.00 -0.23 -0.12 0.68 1.20 0.00 0.00 173.24 174.77 1uc3 s VAL 8 N 0.69 3.24 0.82 4.45 -7.23 -1.26 -5.11 120.40 115.99 1uc3 s VAL 8 Ca -0.03 -0.96 -0.11 0.00 -1.81 0.00 0.00 61.98 59.07 1uc3 s VAL 8 Cb -0.05 -2.39 0.09 0.00 0.56 0.00 0.00 36.38 34.59 1uc3 s VAL 8 CO -0.04 0.37 1.14 0.00 -0.31 0.00 0.00 175.10 176.26 1uc3 s ALA 9 N -0.96 1.91 0.50 1.32 0.00 -1.26 -4.95 121.76 118.32 1uc3 s ALA 9 Ca 0.16 0.54 -0.23 0.00 0.00 0.00 0.00 51.96 52.42 1uc3 s ALA 9 Cb -0.11 -3.39 -0.07 0.00 0.00 0.00 0.00 23.12 19.56 1uc3 s ALA 9 CO 0.06 -2.19 1.33 -2.30 0.00 0.00 0.00 175.76 172.67 1uc3 n PRO 10 N -3.61 1.83 -1.95 0.00 -0.02 -1.26 -4.94 135.00 125.04 1uc3 n PRO 10 Ca 0.11 0.66 -0.41 0.00 -2.02 0.00 0.00 63.50 61.85 1uc3 n PRO 10 Cb 0.52 -2.52 -0.01 0.00 -0.02 0.00 0.00 33.50 31.47 1uc3 n PRO 10 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1uc3 s LEU 11 N -2.79 4.36 0.66 2.45 1.43 -1.26 -5.01 118.68 118.52 1uc3 s LEU 11 Ca 0.67 2.88 -0.06 0.00 -1.03 0.00 0.00 54.13 56.59 1uc3 s LEU 11 Cb -0.44 -3.67 0.05 0.00 0.03 0.00 0.00 46.19 42.15 1uc3 s LEU 11 CO 0.53 -0.72 0.96 -0.94 0.23 0.00 0.00 176.35 176.41 1uc3 s SER 12 N -0.32 5.05 0.26 2.29 1.04 -1.26 -4.89 113.70 115.87 1uc3 s SER 12 Ca 0.51 0.46 -0.04 0.00 0.48 0.00 0.00 55.95 57.36 1uc3 s SER 12 Cb -0.43 -1.22 0.31 0.00 0.10 0.00 0.00 66.02 64.78 1uc3 s SER 12 CO 0.58 -1.42 1.85 0.00 0.98 0.00 0.00 173.24 175.23 1uc3 h ALA 13 N -0.42 1.20 0.07 5.32 0.00 -2.00 -1.22 119.26 122.21 1uc3 h ALA 13 Ca -0.44 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 1uc3 h ALA 13 Cb 1.30 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1uc3 h ALA 13 CO 0.59 0.60 -0.03 0.00 0.00 0.00 0.00 179.25 180.41 1uc3 h ALA 14 N 1.32 -0.09 -0.80 0.00 0.00 -2.00 -2.28 119.26 115.41 1uc3 h ALA 14 Ca 0.25 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.17 1uc3 h ALA 14 Cb 0.13 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1uc3 h ALA 14 CO -0.03 -0.50 0.47 0.93 0.00 0.00 0.00 179.25 180.12 1uc3 h GLU 15 N -0.20 0.81 -0.62 0.00 5.08 -1.83 -0.97 114.58 116.85 1uc3 h GLU 15 Ca -0.01 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1uc3 h GLU 15 Cb 0.17 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1uc3 h GLU 15 CO 0.02 0.53 0.28 0.87 -1.00 0.00 0.00 179.01 179.71 1uc3 h LYS 16 N 0.83 0.88 -0.20 2.33 1.57 -1.08 -1.40 116.57 119.50 1uc3 h LYS 16 Ca 0.37 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 59.00 1uc3 h LYS 16 Cb 0.25 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1uc3 h LYS 16 CO -0.21 0.70 0.05 1.15 -0.57 0.00 0.00 179.45 180.57 1uc3 h THR 17 N 0.88 1.21 -0.54 -0.16 2.02 -0.61 -1.83 112.91 113.88 1uc3 h THR 17 Ca 0.21 -0.67 -0.07 0.00 0.77 0.00 0.00 66.41 66.65 1uc3 h THR 17 Cb 0.12 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 1uc3 h THR 17 CO -0.03 0.21 0.06 0.50 0.37 0.00 0.00 175.52 176.63 1uc3 h LYS 18 N 0.14 0.87 0.17 6.66 3.11 -1.14 -2.71 116.57 123.66 1uc3 h LYS 18 Ca 0.06 -0.22 -0.01 0.00 -2.81 0.00 0.00 60.65 57.68 1uc3 h LYS 18 Cb 0.28 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 31.40 1uc3 h LYS 18 CO 0.00 0.83 -0.08 0.82 -2.81 0.00 0.00 179.45 178.21 1uc3 h ILE 19 N 0.82 0.88 -0.59 2.00 2.04 -1.09 -0.98 117.51 120.58 1uc3 h ILE 19 Ca 0.17 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1uc3 h ILE 19 Cb 0.41 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1uc3 h ILE 19 CO 0.01 0.05 0.38 0.03 0.00 0.00 0.00 178.15 178.62 1uc3 h ARG 20 N -0.33 0.79 -0.47 2.37 3.08 -1.30 0.11 114.38 118.64 1uc3 h ARG 20 Ca -0.02 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 1uc3 h ARG 20 Cb 0.26 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1uc3 h ARG 20 CO 0.04 0.54 0.06 0.66 -1.07 0.00 0.00 179.97 180.20 1uc3 h SER 21 N 0.80 0.77 -0.34 7.04 4.64 -1.42 -0.70 113.55 124.34 1uc3 h SER 21 Ca 0.22 -0.27 -0.14 0.00 -0.47 0.00 0.00 61.79 61.13 1uc3 h SER 21 Cb -0.06 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.81 1uc3 h SER 21 CO -0.04 0.85 -0.29 0.00 -0.87 0.00 0.00 176.83 176.47 1uc3 h ALA 22 N 0.95 0.72 -0.27 5.18 0.00 -1.02 -3.29 119.26 121.53 1uc3 h ALA 22 Ca 0.14 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 1uc3 h ALA 22 Cb 0.42 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1uc3 h ALA 22 CO 0.01 0.66 -0.13 2.35 0.00 0.00 0.00 179.25 182.15 1uc3 h TRP 23 N 0.73 0.66 -0.93 0.00 2.91 -0.57 -3.35 115.95 115.39 1uc3 h TRP 23 Ca 0.08 -0.16 0.14 0.00 1.13 0.00 0.00 58.89 60.08 1uc3 h TRP 23 Cb 0.85 -0.15 -0.15 0.00 -0.51 0.00 0.00 29.16 29.20 1uc3 h TRP 23 CO 0.05 0.82 -0.38 0.00 -1.03 0.00 0.00 178.44 177.89 1uc3 n ALA 24 N -2.43 -0.17 0.07 2.65 0.00 -0.29 -1.12 120.51 119.22 1uc3 n ALA 24 Ca -0.04 0.92 -0.11 0.00 0.00 0.00 0.00 53.44 54.21 1uc3 n ALA 24 Cb 0.36 -0.39 -0.05 0.00 0.00 0.00 0.00 19.45 19.37 1uc3 n ALA 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1uc3 h PRO 25 N 0.00 -0.26 -0.64 0.00 0.11 -1.75 -0.88 132.00 128.58 1uc3 h PRO 25 Ca 0.31 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.43 1uc3 h PRO 25 Cb 0.54 0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.68 1uc3 h PRO 25 CO -0.92 -0.17 0.39 0.28 -0.21 0.00 0.00 178.00 177.36 1uc3 h VAL 26 N -0.27 1.19 -0.25 3.15 2.07 -1.48 -3.22 116.25 117.44 1uc3 h VAL 26 Ca 0.04 -0.40 -0.16 0.00 0.82 0.00 0.00 66.70 67.00 1uc3 h VAL 26 Cb 0.32 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1uc3 h VAL 26 CO -0.13 0.19 -0.45 0.22 0.02 0.00 0.00 177.57 177.42 1uc3 h TYR 27 N 0.87 0.94 0.00 1.57 5.03 -0.90 -2.51 116.97 121.97 1uc3 h TYR 27 Ca 0.23 -0.33 0.00 0.00 2.58 0.00 0.00 58.73 61.21 1uc3 h TYR 27 Cb -0.03 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.07 1uc3 h TYR 27 CO -0.02 1.12 0.02 -1.13 -1.32 0.00 0.00 178.16 176.83 1uc3 n SER 28 N -4.14 0.37 -0.34 -2.11 3.41 -0.36 0.21 113.62 110.66 1uc3 n SER 28 Ca -0.05 0.67 0.07 0.00 -0.26 0.00 0.00 58.87 59.30 1uc3 n SER 28 Cb 0.57 -0.71 0.14 0.00 -0.26 0.00 0.00 64.21 63.95 1uc3 n SER 28 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1uc3 n ASN 29 N -2.00 2.73 -0.32 4.04 5.15 -1.08 -4.89 115.26 118.89 1uc3 n ASN 29 Ca -0.01 -2.68 0.28 0.00 -0.60 0.00 0.00 54.58 51.57 1uc3 n ASN 29 Cb 0.04 -0.34 0.53 0.00 -0.53 0.00 0.00 39.78 39.49 1uc3 n ASN 29 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 1uc3 h TYR 30 N 0.72 0.75 -0.02 1.20 -0.00 0.19 0.12 116.97 119.93 1uc3 h TYR 30 Ca 0.00 0.04 0.01 0.00 0.00 0.00 0.00 58.73 58.78 1uc3 h TYR 30 Cb 0.96 -0.16 -0.00 0.00 0.00 0.00 0.00 36.73 37.53 1uc3 h TYR 30 CO 0.16 -0.42 0.02 0.93 -0.00 0.00 0.00 178.16 178.85 1uc3 h GLU 31 N 0.06 0.00 0.00 0.10 3.07 -1.90 0.11 114.58 116.02 1uc3 h GLU 31 Ca 0.80 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.58 1uc3 h GLU 31 Cb 2.03 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.92 1uc3 h GLU 31 CO -0.76 0.00 -0.98 2.41 -1.40 0.00 0.00 179.01 178.29 1uc3 n THR 32 N -4.16 1.47 -0.20 1.13 -1.04 0.33 -3.87 114.28 107.94 1uc3 n THR 32 Ca -0.02 0.10 -0.02 0.00 -2.04 0.00 0.00 64.05 62.07 1uc3 n THR 32 Cb 0.11 -2.29 0.05 0.00 -1.82 0.00 0.00 70.33 66.38 1uc3 n THR 32 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1uc3 h SER 33 N -1.00 -0.76 -0.25 8.00 0.02 -1.27 -1.12 113.55 117.19 1uc3 h SER 33 Ca -0.11 0.20 0.04 0.00 -0.84 0.00 0.00 61.79 61.07 1uc3 h SER 33 Cb 0.89 0.44 -0.03 0.00 0.14 0.00 0.00 62.40 63.84 1uc3 h SER 33 CO -0.07 -0.24 0.03 1.23 -1.14 0.00 0.00 176.83 176.64 1uc3 h GLY 34 N -0.06 0.26 0.79 -3.77 0.00 -1.00 -0.79 103.07 98.50 1uc3 h GLY 34 Ca 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.61 1uc3 h GLY 34 CO -0.65 -0.02 -0.22 -2.08 0.00 0.00 0.00 176.54 173.56 1uc3 h VAL 35 N 0.11 0.52 -0.80 4.60 2.07 -1.45 -0.88 116.25 120.43 1uc3 h VAL 35 Ca 0.11 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.77 1uc3 h VAL 35 Cb 0.13 0.52 -0.09 0.00 -1.52 0.00 0.00 31.29 30.33 1uc3 h VAL 35 CO -0.17 0.00 0.38 0.44 0.02 0.00 0.00 177.57 178.24 1uc3 h ASP 36 N -0.51 0.43 -0.51 0.57 3.32 -1.03 0.00 116.42 118.70 1uc3 h ASP 36 Ca -0.01 0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 1uc3 h ASP 36 Cb 0.45 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 1uc3 h ASP 36 CO -0.02 0.18 0.06 0.40 -1.72 0.00 0.00 179.24 178.15 1uc3 h ILE 37 N 0.56 1.25 -0.17 0.35 2.04 -0.71 -1.85 117.51 118.98 1uc3 h ILE 37 Ca 0.43 -0.97 -0.14 0.00 1.00 0.00 0.00 64.86 65.19 1uc3 h ILE 37 Cb 0.62 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1uc3 h ILE 37 CO -0.37 0.35 -0.44 0.25 0.00 0.00 0.00 178.15 177.94 1uc3 h LEU 38 N 0.73 0.68 -0.58 1.44 5.85 -0.37 -1.89 115.31 121.17 1uc3 h LEU 38 Ca 0.15 -0.58 -0.02 0.00 0.84 0.00 0.00 57.88 58.27 1uc3 h LEU 38 Cb 0.43 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1uc3 h LEU 38 CO 0.01 1.13 0.28 0.58 -0.34 0.00 0.00 178.44 180.11 1uc3 h VAL 39 N 0.25 1.21 -0.68 1.05 2.07 -1.06 0.29 116.25 119.38 1uc3 h VAL 39 Ca -0.01 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 1uc3 h VAL 39 Cb 1.05 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1uc3 h VAL 39 CO 0.09 0.23 0.28 0.50 0.02 0.00 0.00 177.57 178.70 1uc3 h LYS 40 N 0.78 1.02 -0.41 1.57 3.64 -1.36 0.78 116.57 122.59 1uc3 h LYS 40 Ca 0.20 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1uc3 h LYS 40 Cb 0.11 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1uc3 h LYS 40 CO -0.03 0.84 0.12 0.35 -2.27 0.00 0.00 179.45 178.47 1uc3 h PHE 41 N 0.97 0.67 0.18 1.91 3.57 -0.83 -2.56 116.94 120.85 1uc3 h PHE 41 Ca 0.23 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 1uc3 h PHE 41 Cb 0.19 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1uc3 h PHE 41 CO 0.01 0.62 -0.09 0.35 -2.23 0.00 0.00 178.31 176.98 1uc3 h PHE 42 N 0.53 -0.22 0.00 0.41 3.57 -0.02 -2.66 116.94 118.55 1uc3 h PHE 42 Ca 0.13 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1uc3 h PHE 42 Cb 0.27 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.08 1uc3 h PHE 42 CO 0.01 -0.09 0.00 1.79 -2.23 0.00 0.00 178.31 177.79 1uc3 h THR 43 N -0.30 0.00 -0.32 4.41 1.35 -0.84 -2.88 112.91 114.32 1uc3 h THR 43 Ca -0.02 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1uc3 h THR 43 Cb 0.23 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 1uc3 h THR 43 CO 0.04 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 173.77 1uc3 n SER 44 N -3.05 3.02 -3.26 5.36 3.41 -0.97 -4.67 113.62 113.47 1uc3 n SER 44 Ca -0.00 -1.88 -0.25 0.00 -0.26 0.00 0.00 58.87 56.47 1uc3 n SER 44 Cb 0.23 -0.21 -0.07 0.00 -0.26 0.00 0.00 64.21 63.90 1uc3 n SER 44 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1uc3 n THR 45 N 1.03 -0.00 -0.33 6.66 -1.04 -1.01 -5.00 114.28 114.59 1uc3 n THR 45 Ca 0.15 -4.27 0.14 0.00 -2.04 0.00 0.00 64.05 58.03 1uc3 n THR 45 Cb 0.49 -1.98 0.29 0.00 -1.82 0.00 0.00 70.33 67.30 1uc3 n THR 45 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1uc3 h PRO 46 N 4.11 0.04 0.00 -2.82 0.11 -1.83 0.71 132.00 132.32 1uc3 h PRO 46 Ca 0.11 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1uc3 h PRO 46 Cb 0.83 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1uc3 h PRO 46 CO 0.54 0.03 0.00 0.00 -0.21 0.00 0.00 178.00 178.36 1uc3 h ALA 47 N 1.93 1.00 0.00 -0.75 0.00 -1.94 -2.55 119.26 116.94 1uc3 h ALA 47 Ca 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.47 1uc3 h ALA 47 Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1uc3 h ALA 47 CO -0.85 0.00 -1.05 0.00 0.00 0.00 0.00 179.25 177.35 1uc3 h ALA 48 N 2.10 0.53 -0.94 0.00 0.00 -1.21 -3.38 119.26 116.36 1uc3 h ALA 48 Ca 0.00 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 54.91 1uc3 h ALA 48 Cb 0.25 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.00 1uc3 h ALA 48 CO 0.00 0.15 0.60 1.96 0.00 0.00 0.00 179.25 181.96 1uc3 h GLN 49 N 0.00 0.80 -0.16 0.00 4.20 -1.43 -1.63 115.11 116.89 1uc3 h GLN 49 Ca -0.03 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.68 1uc3 h GLN 49 Cb 1.10 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 1uc3 h GLN 49 CO 0.01 0.53 0.18 1.05 -0.67 0.00 0.00 178.83 179.93 1uc3 h GLU 50 N 0.83 0.00 0.00 1.46 4.11 -1.75 -0.64 114.58 118.58 1uc3 h GLU 50 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.91 1uc3 h GLU 50 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1uc3 h GLU 50 CO -0.24 0.00 0.00 1.19 0.07 0.00 0.00 179.01 180.03 1uc3 n PHE 51 N -3.78 0.00 -3.23 2.06 3.72 -0.61 -4.02 117.46 111.60 1uc3 n PHE 51 Ca 0.01 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.12 1uc3 n PHE 51 Cb 0.30 -0.02 -0.06 0.00 -0.94 0.00 0.00 39.48 38.77 1uc3 n PHE 51 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1uc3 n PHE 52 N -1.02 3.63 -0.30 1.38 3.01 -0.25 -4.94 117.46 118.98 1uc3 n PHE 52 Ca 0.23 -3.94 0.13 0.00 1.01 0.00 0.00 57.45 54.89 1uc3 n PHE 52 Cb 0.12 -0.62 0.29 0.00 -0.01 0.00 0.00 39.48 39.26 1uc3 n PHE 52 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1uc3 h PRO 53 N 3.95 0.16 0.00 -1.08 0.11 -1.79 0.06 132.00 133.41 1uc3 h PRO 53 Ca 0.19 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 1uc3 h PRO 53 Cb 0.60 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.67 1uc3 h PRO 53 CO 0.89 0.11 -0.03 0.87 -0.21 0.00 0.00 178.00 179.62 1uc3 h LYS 54 N 0.17 0.00 0.00 1.05 1.57 -1.95 -1.86 116.57 115.55 1uc3 h LYS 54 Ca 0.56 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.34 1uc3 h LYS 54 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1uc3 h LYS 54 CO -0.69 0.03 -0.12 1.19 -0.57 0.00 0.00 179.45 179.29 1uc3 n PHE 55 N -3.19 0.60 -1.58 -1.35 3.01 0.00 -4.90 117.46 110.05 1uc3 n PHE 55 Ca -0.01 0.17 -0.55 0.00 1.01 0.00 0.00 57.45 58.08 1uc3 n PHE 55 Cb 0.24 -0.75 -0.07 0.00 -0.01 0.00 0.00 39.48 38.89 1uc3 n PHE 55 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1uc3 n LYS 56 N -2.01 0.79 0.00 -1.08 4.81 -0.70 -2.48 118.16 117.49 1uc3 n LYS 56 Ca 0.06 0.28 0.00 0.00 -0.87 0.00 0.00 58.31 57.78 1uc3 n LYS 56 Cb 0.40 -1.89 0.00 0.00 0.02 0.00 0.00 35.03 33.57 1uc3 n LYS 56 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1uc3 n GLY 57 N 2.42 0.68 3.02 3.14 0.00 -1.26 -5.09 105.19 108.09 1uc3 n GLY 57 Ca 0.20 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.06 1uc3 n GLY 57 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1uc3 s MET 58 N -0.58 0.56 0.00 1.61 -1.94 -1.03 -5.02 119.30 112.89 1uc3 s MET 58 Ca 0.00 -0.44 0.00 0.00 -1.71 0.00 0.00 55.69 53.54 1uc3 s MET 58 Cb 0.00 -0.48 0.00 0.00 2.01 0.00 0.00 34.83 36.36 1uc3 s MET 58 CO 0.00 0.12 0.00 0.25 -0.01 0.00 0.00 175.02 175.38 1uc3 n THR 59 N 2.37 0.00 -3.10 2.05 -2.24 -1.26 -5.00 114.28 107.10 1uc3 n THR 59 Ca -0.16 -0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.22 1uc3 n THR 59 Cb 0.57 0.14 -0.05 0.00 -2.10 0.00 0.00 70.33 68.88 1uc3 n THR 59 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1uc3 s SER 60 N -0.08 7.13 0.31 3.42 1.04 -1.26 -4.90 113.70 119.37 1uc3 s SER 60 Ca 0.00 1.34 0.06 0.00 0.48 0.00 0.00 55.95 57.83 1uc3 s SER 60 Cb 0.00 -2.42 0.71 0.00 0.10 0.00 0.00 66.02 64.41 1uc3 s SER 60 CO 0.00 0.11 1.82 0.00 0.98 0.00 0.00 173.24 176.14 1uc3 h ALA 61 N 5.32 1.68 -0.38 5.32 0.00 -1.97 -2.09 119.26 127.15 1uc3 h ALA 61 Ca -0.46 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1uc3 h ALA 61 Cb 1.20 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1uc3 h ALA 61 CO 0.69 0.01 0.20 -0.44 0.00 0.00 0.00 179.25 179.71 1uc3 h ASP 62 N 0.81 0.46 -0.01 0.00 5.19 -1.99 -0.29 116.42 120.59 1uc3 h ASP 62 Ca 0.53 -0.03 -0.11 0.00 -0.62 0.00 0.00 57.03 56.79 1uc3 h ASP 62 Cb 0.75 -0.11 0.01 0.00 0.18 0.00 0.00 39.33 40.16 1uc3 h ASP 62 CO -0.30 0.38 -0.44 1.56 -3.12 0.00 0.00 179.24 177.31 1uc3 h GLN 63 N 0.52 0.31 -0.72 3.56 4.20 -1.79 -3.23 115.11 117.96 1uc3 h GLN 63 Ca 0.14 -0.33 0.06 0.00 0.06 0.00 0.00 58.65 58.58 1uc3 h GLN 63 Cb 0.03 0.09 -0.06 0.00 0.30 0.00 0.00 27.48 27.84 1uc3 h GLN 63 CO -0.02 1.02 0.42 -0.07 -0.67 0.00 0.00 178.83 179.50 1uc3 h LEU 64 N -0.26 0.64 -2.40 1.46 3.38 -1.16 -0.73 115.31 116.23 1uc3 h LEU 64 Ca -0.05 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1uc3 h LEU 64 Cb 1.17 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1uc3 h LEU 64 CO 0.09 0.41 -0.00 0.11 0.09 0.00 0.00 178.44 179.13 1uc3 h LYS 65 N 0.77 0.00 0.00 1.13 1.57 -1.14 -1.99 116.57 116.91 1uc3 h LYS 65 Ca 0.32 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.94 1uc3 h LYS 65 Cb 0.17 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 1uc3 h LYS 65 CO -0.18 0.00 -1.34 0.87 -0.57 0.00 0.00 179.45 178.23 1uc3 h LYS 66 N 0.00 0.00 -6.43 3.15 1.79 -1.17 -3.47 116.57 110.44 1uc3 h LYS 66 Ca -0.00 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.93 1uc3 h LYS 66 Cb 0.20 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.86 1uc3 h LYS 66 CO 0.00 0.30 0.98 0.45 -1.08 0.00 0.00 179.45 180.10 1uc3 s SER 67 N -5.82 6.64 0.44 0.86 0.15 -0.75 -4.90 113.70 110.33 1uc3 s SER 67 Ca -0.02 2.43 0.20 0.00 0.70 0.00 0.00 55.95 59.25 1uc3 s SER 67 Cb 0.09 -2.56 1.04 0.00 -1.71 0.00 0.00 66.02 62.88 1uc3 s SER 67 CO 0.81 -0.87 1.93 0.00 1.20 0.00 0.00 173.24 176.31 1uc3 h ALA 68 N 8.31 1.34 -0.49 5.45 0.00 -1.90 -1.52 119.26 130.45 1uc3 h ALA 68 Ca -0.42 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.14 1uc3 h ALA 68 Cb 1.20 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1uc3 h ALA 68 CO 0.93 0.30 -0.19 -0.44 0.00 0.00 0.00 179.25 179.85 1uc3 h ASP 69 N 0.00 1.02 -0.45 0.00 3.32 -1.93 -1.03 116.42 117.35 1uc3 h ASP 69 Ca -0.00 -0.39 -0.13 0.00 0.02 0.00 0.00 57.03 56.53 1uc3 h ASP 69 Cb 0.51 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1uc3 h ASP 69 CO 0.03 1.18 -0.24 0.58 -1.72 0.00 0.00 179.24 179.07 1uc3 h VAL 70 N 0.86 1.27 -0.09 -1.35 2.07 -1.69 -2.15 116.25 115.17 1uc3 h VAL 70 Ca 0.12 -1.40 -0.01 0.00 0.82 0.00 0.00 66.70 66.22 1uc3 h VAL 70 Cb 0.77 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1uc3 h VAL 70 CO 0.06 0.48 0.01 0.03 0.02 0.00 0.00 177.57 178.17 1uc3 h ARG 71 N 0.80 0.16 -0.45 1.57 3.08 -1.17 -0.47 114.38 117.89 1uc3 h ARG 71 Ca 0.10 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1uc3 h ARG 71 Cb 0.82 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.83 1uc3 h ARG 71 CO 0.07 0.40 0.30 2.35 -1.07 0.00 0.00 179.97 182.02 1uc3 h TRP 72 N -0.10 0.57 -0.23 3.04 -0.00 -1.20 0.25 115.95 118.28 1uc3 h TRP 72 Ca 0.03 0.01 -0.14 0.00 -0.00 0.00 0.00 58.89 58.79 1uc3 h TRP 72 Cb 0.33 -0.19 -0.00 0.00 -0.00 0.00 0.00 29.16 29.29 1uc3 h TRP 72 CO 0.03 0.36 -0.39 1.25 -0.00 0.00 0.00 178.44 179.69 1uc3 h HIS 73 N 0.62 0.83 -0.18 2.65 2.76 -1.21 -2.44 115.15 118.19 1uc3 h HIS 73 Ca 0.17 -0.29 -0.03 0.00 -2.20 0.00 0.00 60.37 58.02 1uc3 h HIS 73 Cb -0.07 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 28.72 1uc3 h HIS 73 CO 0.00 1.05 0.00 0.00 -1.30 0.00 0.00 177.93 177.68 1uc3 h ALA 74 N 0.63 0.24 -0.83 5.26 0.00 -0.24 -2.08 119.26 122.25 1uc3 h ALA 74 Ca 0.02 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.80 1uc3 h ALA 74 Cb 0.98 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1uc3 h ALA 74 CO 0.09 -0.05 0.54 0.93 0.00 0.00 0.00 179.25 180.76 1uc3 h GLU 75 N 0.07 0.87 -0.24 0.00 5.08 -0.56 0.77 114.58 120.57 1uc3 h GLU 75 Ca 0.05 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 1uc3 h GLU 75 Cb 0.38 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1uc3 h GLU 75 CO 0.01 0.57 -0.56 0.00 -1.00 0.00 0.00 179.01 178.04 1uc3 h ARG 76 N 0.89 0.74 0.10 2.33 3.08 -1.32 -2.52 114.38 117.68 1uc3 h ARG 76 Ca 0.36 -0.47 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 1uc3 h ARG 76 Cb 0.26 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1uc3 h ARG 76 CO -0.13 1.10 -0.05 0.82 -1.07 0.00 0.00 179.97 180.64 1uc3 h ILE 77 N 0.57 1.09 0.00 2.04 2.04 -0.57 -2.70 117.51 119.97 1uc3 h ILE 77 Ca 0.01 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 1uc3 h ILE 77 Cb 1.14 1.59 -0.00 0.00 -0.74 0.00 0.00 36.82 38.80 1uc3 h ILE 77 CO 0.12 0.19 -0.09 -0.29 0.00 0.00 0.00 178.15 178.07 1uc3 h ILE 78 N -0.50 0.54 0.02 -0.67 6.09 -0.95 -2.42 117.51 119.62 1uc3 h ILE 78 Ca -0.01 -0.43 -0.21 0.00 -1.37 0.00 0.00 64.86 62.84 1uc3 h ILE 78 Cb 0.41 1.28 -0.02 0.00 0.47 0.00 0.00 36.82 38.96 1uc3 h ILE 78 CO 0.02 0.09 -0.99 0.78 -3.07 0.00 0.00 178.15 174.99 1uc3 h ASN 79 N 0.00 0.07 0.36 2.19 2.35 -1.38 -1.51 115.58 117.66 1uc3 h ASN 79 Ca -0.00 -0.07 -0.14 0.00 -0.55 0.00 0.00 56.30 55.55 1uc3 h ASN 79 Cb 0.27 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1uc3 h ASN 79 CO 0.01 1.01 -0.56 0.00 -1.65 0.00 0.00 177.43 176.24 1uc3 h ALA 80 N 0.98 0.92 -0.34 -0.83 0.00 -1.11 0.34 119.26 119.23 1uc3 h ALA 80 Ca -0.03 -0.52 -0.14 0.00 0.00 0.00 0.00 54.91 54.23 1uc3 h ALA 80 Cb 1.71 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1uc3 h ALA 80 CO 0.13 0.70 -0.34 0.28 0.00 0.00 0.00 179.25 180.03 1uc3 h VAL 81 N 0.16 1.29 -0.61 0.00 2.07 -1.42 -1.72 116.25 116.01 1uc3 h VAL 81 Ca -0.00 -1.51 0.01 0.00 0.82 0.00 0.00 66.70 66.02 1uc3 h VAL 81 Cb 1.04 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 32.26 1uc3 h VAL 81 CO 0.09 0.50 0.39 -1.13 0.02 0.00 0.00 177.57 177.44 1uc3 h ASN 82 N 0.60 0.67 -0.80 0.57 -1.24 -0.74 -0.92 115.58 113.73 1uc3 h ASN 82 Ca 0.05 -0.01 0.10 0.00 0.71 0.00 0.00 56.30 57.16 1uc3 h ASN 82 Cb 0.92 -0.16 -0.08 0.00 0.73 0.00 0.00 38.32 39.74 1uc3 h ASN 82 CO 0.08 0.48 0.43 0.44 -1.29 0.00 0.00 177.43 177.58 1uc3 h ASP 83 N 0.80 0.59 -0.21 1.15 3.32 -0.01 -1.13 116.42 120.93 1uc3 h ASP 83 Ca 0.23 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.31 1uc3 h ASP 83 Cb -0.05 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1uc3 h ASP 83 CO -0.07 0.32 0.03 0.00 -1.72 0.00 0.00 179.24 177.80 1uc3 h ALA 84 N 1.47 0.28 -0.81 3.45 0.00 -0.30 -2.57 119.26 120.77 1uc3 h ALA 84 Ca 0.40 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.20 1uc3 h ALA 84 Cb 0.42 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1uc3 h ALA 84 CO -0.27 -0.03 0.48 0.28 0.00 0.00 0.00 179.25 179.70 1uc3 h VAL 85 N 0.15 0.98 0.00 0.00 2.07 -0.61 -0.03 116.25 118.80 1uc3 h VAL 85 Ca 0.06 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1uc3 h VAL 85 Cb 0.34 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1uc3 h VAL 85 CO 0.01 0.16 0.00 0.00 0.02 0.00 0.00 177.57 177.75 1uc3 h ALA 86 N 1.41 1.00 -0.50 1.67 0.00 -1.11 -2.97 119.26 118.77 1uc3 h ALA 86 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1uc3 h ALA 86 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1uc3 h ALA 86 CO -0.20 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.48 1uc3 n SER 87 N -2.56 4.51 0.31 0.00 7.64 -0.04 -4.55 113.62 118.93 1uc3 n SER 87 Ca 0.01 -2.63 0.21 0.00 1.01 0.00 0.00 58.87 57.47 1uc3 n SER 87 Cb 0.24 -0.55 1.03 0.00 -1.01 0.00 0.00 64.21 63.93 1uc3 n SER 87 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1uc3 h MET 88 N 3.22 0.00 -0.64 1.43 2.86 -1.34 0.80 114.93 121.26 1uc3 h MET 88 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1uc3 h MET 88 Cb 1.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.13 1uc3 h MET 88 CO 0.25 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 177.97 1uc3 n ASP 89 N -3.03 5.06 -2.83 1.22 8.00 -1.26 -4.48 116.55 119.23 1uc3 n ASP 89 Ca -0.02 -2.58 -0.11 0.00 0.71 0.00 0.00 54.79 52.79 1uc3 n ASP 89 Cb 0.14 -0.62 0.03 0.00 -0.02 0.00 0.00 41.12 40.65 1uc3 n ASP 89 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1uc3 n ASP 90 N 1.00 -2.30 0.04 -2.24 -0.08 0.27 -5.00 116.55 108.24 1uc3 n ASP 90 Ca 0.26 -3.22 0.21 0.00 -1.51 0.00 0.00 54.79 50.54 1uc3 n ASP 90 Cb 0.98 1.38 0.73 0.00 2.34 0.00 0.00 41.12 46.56 1uc3 n ASP 90 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1uc3 h THR 91 N 2.80 0.54 0.02 5.18 2.02 -1.77 -1.08 112.91 120.63 1uc3 h THR 91 Ca -0.11 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 1uc3 h THR 91 Cb 1.01 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1uc3 h THR 91 CO 0.34 0.00 -0.01 -0.08 0.37 0.00 0.00 175.52 176.14 1uc3 h GLU 92 N 0.00 -0.03 -0.74 6.66 4.81 -1.94 -1.06 114.58 122.27 1uc3 h GLU 92 Ca 0.23 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.41 1uc3 h GLU 92 Cb 1.07 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.43 1uc3 h GLU 92 CO -0.00 0.17 0.24 -0.22 -0.73 0.00 0.00 179.01 178.47 1uc3 h LYS 93 N -0.23 1.14 -0.91 1.92 3.64 -1.57 -2.14 116.57 118.41 1uc3 h LYS 93 Ca -0.00 -0.24 0.08 0.00 -1.27 0.00 0.00 60.65 59.22 1uc3 h LYS 93 Cb 0.22 -0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 31.80 1uc3 h LYS 93 CO 0.01 0.97 0.56 1.98 -2.27 0.00 0.00 179.45 180.69 1uc3 h MET 94 N 1.09 0.95 -0.08 1.90 4.05 -1.17 -2.59 114.93 119.08 1uc3 h MET 94 Ca 0.24 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.58 1uc3 h MET 94 Cb 0.30 -0.21 -0.00 0.00 -0.80 0.00 0.00 31.60 30.88 1uc3 h MET 94 CO -0.01 0.63 -0.04 0.77 0.23 0.00 0.00 176.91 178.49 1uc3 h SER 95 N 0.98 0.18 -0.24 1.39 0.02 -0.88 -2.01 113.55 112.99 1uc3 h SER 95 Ca 0.42 -0.42 0.06 0.00 -0.84 0.00 0.00 61.79 61.01 1uc3 h SER 95 Cb 0.27 -0.05 -0.07 0.00 0.14 0.00 0.00 62.40 62.70 1uc3 h SER 95 CO -0.21 0.56 -0.19 0.24 -1.14 0.00 0.00 176.83 176.09 1uc3 h MET 96 N -0.19 -0.18 -0.31 3.45 2.07 -1.09 1.16 114.93 119.83 1uc3 h MET 96 Ca 0.02 0.01 -0.05 0.00 -2.07 0.00 0.00 59.70 57.61 1uc3 h MET 96 Cb 0.49 0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 30.25 1uc3 h MET 96 CO 0.01 -0.12 0.01 0.87 1.07 0.00 0.00 176.91 178.75 1uc3 h LYS 97 N -0.19 0.54 -0.55 1.72 1.57 -1.54 -1.63 116.57 116.49 1uc3 h LYS 97 Ca 0.14 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1uc3 h LYS 97 Cb 0.39 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1uc3 h LYS 97 CO -0.35 0.67 0.11 -0.07 -0.57 0.00 0.00 179.45 179.24 1uc3 h LEU 98 N 0.34 0.81 -0.49 2.94 3.38 -0.77 0.34 115.31 121.86 1uc3 h LEU 98 Ca 0.09 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1uc3 h LEU 98 Cb 0.42 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1uc3 h LEU 98 CO 0.01 0.81 0.07 0.03 0.09 0.00 0.00 178.44 179.45 1uc3 h ARG 99 N 0.82 0.81 -0.57 1.13 3.08 0.15 -0.21 114.38 119.59 1uc3 h ARG 99 Ca 0.17 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1uc3 h ARG 99 Cb 0.34 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 1uc3 h ARG 99 CO 0.00 0.82 0.32 0.22 -1.07 0.00 0.00 179.97 180.26 1uc3 h ASP 100 N 0.68 0.70 -0.61 7.04 3.58 -0.76 -2.10 116.42 124.95 1uc3 h ASP 100 Ca 0.15 -0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.47 1uc3 h ASP 100 Cb 0.40 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.25 1uc3 h ASP 100 CO 0.01 0.58 0.25 0.25 -2.88 0.00 0.00 179.24 177.45 1uc3 h LEU 101 N 0.76 0.86 -1.05 2.28 5.85 -0.68 -2.00 115.31 121.34 1uc3 h LEU 101 Ca 0.20 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1uc3 h LEU 101 Cb 0.03 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 1uc3 h LEU 101 CO -0.03 0.78 0.63 -1.28 -0.34 0.00 0.00 178.44 178.19 1uc3 h SER 102 N 0.92 1.11 -0.22 1.25 0.87 -0.42 -2.16 113.55 114.90 1uc3 h SER 102 Ca 0.22 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1uc3 h SER 102 Cb 0.19 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1uc3 h SER 102 CO -0.02 0.81 0.13 1.23 -0.53 0.00 0.00 176.83 178.45 1uc3 h GLY 103 N 1.30 0.33 0.41 5.77 0.00 -0.74 -1.59 103.07 108.56 1uc3 h GLY 103 Ca 0.35 -0.15 0.13 0.00 0.00 0.00 0.00 47.33 47.67 1uc3 h GLY 103 CO -0.07 0.14 0.63 0.50 0.00 0.00 0.00 176.54 177.73 1uc3 h LYS 104 N 0.26 0.91 0.12 4.80 1.57 -0.99 0.20 116.57 123.45 1uc3 h LYS 104 Ca 0.08 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1uc3 h LYS 104 Cb 0.05 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.16 1uc3 h LYS 104 CO -0.01 0.60 -0.06 0.45 -0.57 0.00 0.00 179.45 179.86 1uc3 h HIS 105 N 0.94 -0.15 0.00 -1.35 3.86 -1.07 -1.73 115.15 115.64 1uc3 h HIS 105 Ca 0.51 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.68 1uc3 h HIS 105 Cb 0.58 0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.09 1uc3 h HIS 105 CO -0.00 0.28 -0.17 0.00 0.86 0.00 0.00 177.93 178.90 1uc3 h ALA 106 N 0.11 1.53 0.00 2.45 0.00 -0.93 0.35 119.26 122.76 1uc3 h ALA 106 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1uc3 h ALA 106 Cb 0.50 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1uc3 h ALA 106 CO 0.03 0.21 -0.16 1.63 0.00 0.00 0.00 179.25 180.95 1uc3 n LYS 107 N -4.05 0.11 0.05 0.00 5.02 0.69 -4.53 118.16 115.44 1uc3 n LYS 107 Ca -0.02 0.17 -0.04 0.00 -2.02 0.00 0.00 58.31 56.40 1uc3 n LYS 107 Cb 0.25 -0.82 -0.02 0.00 -0.02 0.00 0.00 35.03 34.41 1uc3 n LYS 107 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1uc3 h SER 108 N -0.22 -0.19 1.15 4.39 0.02 -1.51 -3.37 113.55 113.82 1uc3 h SER 108 Ca 0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1uc3 h SER 108 Cb 0.16 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1uc3 h SER 108 CO 0.00 0.30 0.00 -0.26 -1.14 0.00 0.00 176.83 175.73 1uc3 h PHE 109 N -1.05 0.00 -6.67 3.45 0.04 -1.53 -3.48 116.94 107.70 1uc3 h PHE 109 Ca -0.02 0.00 -0.47 0.00 2.80 0.00 0.00 57.97 60.28 1uc3 h PHE 109 Cb 0.23 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.38 1uc3 h PHE 109 CO 0.01 0.00 -1.04 1.04 -0.60 0.00 0.00 178.31 177.72 1uc3 n GLN 110 N -2.42 -1.41 -4.27 1.51 6.02 0.10 -4.94 117.38 111.97 1uc3 n GLN 110 Ca 0.03 0.67 -0.32 0.00 -0.01 0.00 0.00 57.00 57.38 1uc3 n GLN 110 Cb 0.34 -2.07 -0.09 0.00 1.02 0.00 0.00 30.24 29.44 1uc3 n GLN 110 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1uc3 s VAL 111 N -2.94 4.04 -0.23 5.09 -7.23 -1.16 -5.02 120.40 112.95 1uc3 s VAL 111 Ca 0.01 -0.72 -0.29 0.00 -1.81 0.00 0.00 61.98 59.17 1uc3 s VAL 111 Cb -0.01 -2.82 -0.02 0.00 0.56 0.00 0.00 36.38 34.09 1uc3 s VAL 111 CO 0.84 0.32 1.57 -0.62 -0.31 0.00 0.00 175.10 176.90 1uc3 s ASP 112 N -1.72 6.43 0.57 4.85 -1.08 -1.26 -4.81 116.67 119.64 1uc3 s ASP 112 Ca 0.21 1.58 0.29 0.00 -0.52 0.00 0.00 52.55 54.10 1uc3 s ASP 112 Cb -0.11 -2.53 1.57 0.00 -1.46 0.00 0.00 42.92 40.38 1uc3 s ASP 112 CO 0.12 -1.22 1.86 1.55 0.52 0.00 0.00 175.17 178.00 1uc3 h PRO 113 N 10.50 0.00 0.00 4.34 0.13 -1.98 -2.92 132.00 142.07 1uc3 h PRO 113 Ca -0.33 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.79 1uc3 h PRO 113 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1uc3 h PRO 113 CO 1.00 0.00 -0.08 -0.56 -0.23 0.00 0.00 178.00 178.14 1uc3 h GLN 114 N 0.00 0.00 0.00 0.86 3.07 -2.01 -3.07 115.11 113.95 1uc3 h GLN 114 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1uc3 h GLN 114 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.02 1uc3 h GLN 114 CO 0.00 0.08 -0.04 0.66 0.09 0.00 0.00 178.83 179.61 1uc3 n TYR 115 N -3.44 0.28 -0.06 0.06 4.01 -1.10 -4.09 117.16 112.81 1uc3 n TYR 115 Ca -0.02 0.08 -0.08 0.00 -0.16 0.00 0.00 57.90 57.72 1uc3 n TYR 115 Cb 0.22 -0.61 -0.02 0.00 -0.31 0.00 0.00 39.34 38.62 1uc3 n TYR 115 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 1uc3 h PHE 116 N 0.00 0.17 0.00 -0.72 0.04 -1.79 -1.56 116.94 113.08 1uc3 h PHE 116 Ca 0.00 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.73 1uc3 h PHE 116 Cb 0.57 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 1uc3 h PHE 116 CO 0.00 0.09 -0.26 1.57 -0.60 0.00 0.00 178.31 179.11 1uc3 h LYS 117 N 0.21 0.00 0.09 1.51 2.10 -1.82 0.46 116.57 119.13 1uc3 h LYS 117 Ca 0.11 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.75 1uc3 h LYS 117 Cb 0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 1uc3 h LYS 117 CO -0.10 0.26 -0.05 0.28 -2.00 0.00 0.00 179.45 177.84 1uc3 h VAL 118 N 0.00 1.12 -0.51 0.07 2.07 -1.58 0.16 116.25 117.58 1uc3 h VAL 118 Ca -0.00 -0.88 -0.06 0.00 0.82 0.00 0.00 66.70 66.58 1uc3 h VAL 118 Cb 0.58 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 1uc3 h VAL 118 CO 0.03 0.21 0.08 0.25 0.02 0.00 0.00 177.57 178.17 1uc3 h LEU 119 N -0.54 0.76 -0.66 2.57 5.85 -1.16 -2.30 115.31 119.83 1uc3 h LEU 119 Ca -0.01 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.57 1uc3 h LEU 119 Cb 0.45 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1uc3 h LEU 119 CO 0.02 0.78 0.43 0.00 -0.34 0.00 0.00 178.44 179.33 1uc3 h ALA 120 N 1.32 0.84 -0.39 1.25 0.00 -0.74 -0.87 119.26 120.68 1uc3 h ALA 120 Ca 0.16 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1uc3 h ALA 120 Cb 0.35 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1uc3 h ALA 120 CO 0.01 0.25 0.23 0.00 0.00 0.00 0.00 179.25 179.74 1uc3 h ALA 121 N 1.25 1.69 -0.44 0.00 0.00 -0.15 0.28 119.26 121.90 1uc3 h ALA 121 Ca 0.25 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1uc3 h ALA 121 Cb -0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1uc3 h ALA 121 CO -0.06 0.28 -0.01 0.28 0.00 0.00 0.00 179.25 179.73 1uc3 h VAL 122 N 0.53 1.26 -0.61 0.00 2.07 -0.77 -1.58 116.25 117.16 1uc3 h VAL 122 Ca 0.14 -1.06 -0.05 0.00 0.82 0.00 0.00 66.70 66.54 1uc3 h VAL 122 Cb -0.03 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1uc3 h VAL 122 CO -0.03 0.36 0.17 0.40 0.02 0.00 0.00 177.57 178.50 1uc3 h ILE 123 N 0.63 1.25 -0.13 4.57 2.04 -0.34 -2.57 117.51 122.96 1uc3 h ILE 123 Ca 0.12 -0.87 -0.05 0.00 1.00 0.00 0.00 64.86 65.06 1uc3 h ILE 123 Cb 0.51 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1uc3 h ILE 123 CO 0.03 0.33 -0.16 0.00 0.00 0.00 0.00 178.15 178.34 1uc3 h ALA 124 N 1.05 1.50 0.00 1.87 0.00 -0.80 -0.59 119.26 122.29 1uc3 h ALA 124 Ca 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1uc3 h ALA 124 Cb 0.32 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1uc3 h ALA 124 CO -0.00 0.36 -0.06 0.22 0.00 0.00 0.00 179.25 179.77 1uc3 h ASP 125 N 0.20 0.00 0.26 0.00 3.58 -1.10 -2.17 116.42 117.19 1uc3 h ASP 125 Ca 0.04 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.15 1uc3 h ASP 125 Cb 0.40 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 1uc3 h ASP 125 CO 0.03 0.06 -1.78 0.74 -2.88 0.00 0.00 179.24 175.40 1uc3 h THR 126 N 0.00 0.87 0.00 2.25 2.02 -1.00 -3.35 112.91 113.70 1uc3 h THR 126 Ca -0.00 -2.54 -0.00 0.00 0.77 0.00 0.00 66.41 64.64 1uc3 h THR 126 Cb 1.04 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 70.09 1uc3 h THR 126 CO 0.01 0.83 -0.00 0.58 0.37 0.00 0.00 175.52 177.30 1uc3 h VAL 127 N 0.08 1.67 -0.70 3.16 2.07 -1.20 -3.46 116.25 117.87 1uc3 h VAL 127 Ca -0.34 -2.16 0.02 0.00 0.82 0.00 0.00 66.70 65.03 1uc3 h VAL 127 Cb 2.05 3.10 -0.18 0.00 -1.52 0.00 0.00 31.29 34.74 1uc3 h VAL 127 CO 0.13 0.55 -0.32 0.00 0.02 0.00 0.00 177.57 177.96 1uc3 s ALA 128 N -2.44 -3.17 0.31 1.67 0.00 -0.84 -4.79 121.76 112.49 1uc3 s ALA 128 Ca -0.18 0.65 -0.30 0.00 0.00 0.00 0.00 51.96 52.14 1uc3 s ALA 128 Cb -0.02 -2.84 -0.12 0.00 0.00 0.00 0.00 23.12 20.14 1uc3 s ALA 128 CO 0.65 -2.31 1.49 0.00 0.00 0.00 0.00 175.76 175.59 1uc3 n ALA 129 N 4.18 2.06 -0.21 0.00 0.00 -1.08 -2.34 120.51 123.12 1uc3 n ALA 129 Ca 0.09 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1uc3 n ALA 129 Cb 0.59 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.65 1uc3 n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uc3 n GLY 130 N 1.59 1.99 3.70 0.00 0.00 -1.26 -4.98 105.19 106.23 1uc3 n GLY 130 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1uc3 n GLY 130 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uc3 s ASP 131 N -3.39 6.83 0.12 1.61 2.15 -0.99 -4.90 116.67 118.11 1uc3 s ASP 131 Ca 0.00 2.24 -0.04 0.00 0.43 0.00 0.00 52.55 55.18 1uc3 s ASP 131 Cb 0.00 -2.57 -0.13 0.00 -0.30 0.00 0.00 42.92 39.91 1uc3 s ASP 131 CO 0.00 -0.68 1.27 0.00 -0.17 0.00 0.00 175.17 175.59 1uc3 h ALA 132 N 7.31 0.31 0.11 3.66 0.00 -1.94 -2.67 119.26 126.05 1uc3 h ALA 132 Ca -0.40 -0.75 -0.01 0.00 0.00 0.00 0.00 54.91 53.75 1uc3 h ALA 132 Cb 1.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1uc3 h ALA 132 CO 0.88 0.86 -0.05 0.78 0.00 0.00 0.00 179.25 181.71 1uc3 h GLY 133 N 1.36 -0.16 1.19 0.00 0.00 -1.91 -0.20 103.07 103.34 1uc3 h GLY 133 Ca -0.09 0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 1uc3 h GLY 133 CO 0.17 -0.06 0.33 -2.75 0.00 0.00 0.00 176.54 174.23 1uc3 h PHE 134 N -0.17 1.05 -0.67 5.60 3.57 -1.87 -1.90 116.94 122.54 1uc3 h PHE 134 Ca -0.02 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 1uc3 h PHE 134 Cb 0.14 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 1uc3 h PHE 134 CO -0.06 0.77 0.35 0.93 -2.23 0.00 0.00 178.31 178.07 1uc3 h GLU 135 N 1.03 0.93 -0.69 1.11 5.08 -1.09 -0.93 114.58 120.03 1uc3 h GLU 135 Ca 0.25 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1uc3 h GLU 135 Cb 0.13 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1uc3 h GLU 135 CO -0.03 0.70 0.26 -0.22 -1.00 0.00 0.00 179.01 178.72 1uc3 h LYS 136 N 0.94 1.02 -0.52 2.33 3.64 -0.26 0.86 116.57 124.59 1uc3 h LYS 136 Ca 0.24 -0.18 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 1uc3 h LYS 136 Cb 0.05 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 1uc3 h LYS 136 CO -0.04 0.84 0.06 1.25 -2.27 0.00 0.00 179.45 179.30 1uc3 h LEU 137 N 1.00 0.84 -0.98 5.20 6.46 -0.86 0.21 115.31 127.17 1uc3 h LEU 137 Ca 0.23 -0.27 -0.05 0.00 -0.12 0.00 0.00 57.88 57.67 1uc3 h LEU 137 Cb 0.21 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 39.89 1uc3 h LEU 137 CO -0.02 0.90 0.16 0.24 -0.62 0.00 0.00 178.44 179.10 1uc3 h MET 138 N 0.75 0.90 -0.23 1.25 2.86 -0.61 -1.13 114.93 118.71 1uc3 h MET 138 Ca 0.15 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1uc3 h MET 138 Cb 0.43 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 1uc3 h MET 138 CO 0.01 0.79 0.05 0.77 1.06 0.00 0.00 176.91 179.60 1uc3 h SER 139 N 0.86 0.35 -0.71 1.22 0.02 -0.33 -0.01 113.55 114.95 1uc3 h SER 139 Ca 0.19 -0.24 0.06 0.00 -0.84 0.00 0.00 61.79 60.96 1uc3 h SER 139 Cb 0.29 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 62.68 1uc3 h SER 139 CO -0.00 0.50 0.40 0.24 -1.14 0.00 0.00 176.83 176.83 1uc3 h MET 140 N 0.19 0.71 -0.20 3.45 2.07 -0.61 0.34 114.93 120.88 1uc3 h MET 140 Ca 0.07 -0.04 -0.03 0.00 -2.07 0.00 0.00 59.70 57.62 1uc3 h MET 140 Cb 0.29 -0.16 -0.01 0.00 -1.87 0.00 0.00 31.60 29.85 1uc3 h MET 140 CO 0.00 0.47 -0.01 0.82 1.07 0.00 0.00 176.91 179.27 1uc3 h ILE 141 N 0.73 1.26 -0.52 -1.22 2.04 -0.98 -2.12 117.51 116.70 1uc3 h ILE 141 Ca 0.32 -0.89 -0.07 0.00 1.00 0.00 0.00 64.86 65.21 1uc3 h ILE 141 Cb 0.20 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 1uc3 h ILE 141 CO -0.19 0.27 0.03 0.00 0.00 0.00 0.00 178.15 178.27 1uc3 h ILE 143 N 0.76 1.17 -0.00 0.00 2.04 -0.94 -1.64 117.51 118.89 1uc3 h ILE 143 Ca 0.15 -0.37 -0.18 0.00 1.00 0.00 0.00 64.86 65.46 1uc3 h ILE 143 Cb 0.48 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 1uc3 h ILE 143 CO 0.02 0.20 -0.81 -0.07 0.00 0.00 0.00 178.15 177.48 1uc3 h LEU 144 N 1.07 0.12 -1.40 1.44 3.38 -0.81 -2.81 115.31 116.30 1uc3 h LEU 144 Ca 0.32 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1uc3 h LEU 144 Cb -0.04 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1uc3 h LEU 144 CO -0.08 0.88 -0.03 -0.07 0.09 0.00 0.00 178.44 179.23 1uc3 h LEU 145 N 0.05 0.00 -1.28 1.67 3.38 0.76 -2.78 115.31 117.12 1uc3 h LEU 145 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1uc3 h LEU 145 Cb 1.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.17 1uc3 h LEU 145 CO 0.11 0.03 -0.31 0.54 0.09 0.00 0.00 178.44 178.90 1uc3 n ARG 146 N -3.13 1.57 0.31 1.13 1.74 -0.70 -4.52 116.66 113.06 1uc3 n ARG 146 Ca 0.01 -1.26 0.20 0.00 -0.77 0.00 0.00 57.85 56.02 1uc3 n ARG 146 Cb 0.32 -1.45 1.05 0.00 -1.02 0.00 0.00 32.46 31.36 1uc3 n ARG 146 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1uc3 h SER 147 N 3.06 0.00 -0.21 0.55 4.64 -1.23 -1.04 113.55 119.33 1uc3 h SER 147 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1uc3 h SER 147 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1uc3 h SER 147 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1uc3 n ALA 148 N -2.11 2.47 1.14 5.18 0.00 -1.26 -5.08 120.51 120.85 1uc3 n ALA 148 Ca -0.02 -0.74 0.13 0.00 0.00 0.00 0.00 53.44 52.81 1uc3 n ALA 148 Cb 0.17 -0.95 0.22 0.00 0.00 0.00 0.00 19.45 18.88 1uc3 n ALA 148 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16