#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 5.30 0.29 4.25 1.01 -1.26 -4.79 121.20 126.00 1uc3 s ILE 2 Ca 0.00 0.14 0.08 0.00 0.00 0.00 0.00 60.65 60.87 1uc3 s ILE 2 Cb 0.00 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 1uc3 s ILE 2 CO 0.00 0.21 0.16 0.68 0.00 0.00 0.00 174.94 175.98 1uc3 s VAL 3 N 1.78 3.69 -0.05 2.92 -7.23 -1.26 -5.00 120.40 115.24 1uc3 s VAL 3 Ca 0.07 -1.58 0.07 0.00 -1.81 0.00 0.00 61.98 58.73 1uc3 s VAL 3 Cb -0.16 -3.13 0.11 0.00 0.56 0.00 0.00 36.38 33.76 1uc3 s VAL 3 CO 0.11 -0.28 0.99 -0.90 -0.31 0.00 0.00 175.10 174.71 1uc3 n ASP 4 N -1.15 1.20 -3.80 4.85 5.75 -1.26 -4.37 116.55 117.76 1uc3 n ASP 4 Ca -0.05 -2.29 -0.10 0.00 -0.01 0.00 0.00 54.79 52.34 1uc3 n ASP 4 Cb 0.59 -0.23 -0.05 0.00 -1.03 0.00 0.00 41.12 40.40 1uc3 n ASP 4 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1uc3 s SER 5 N -1.59 -0.13 0.53 -1.12 1.04 -1.26 -4.17 113.70 106.99 1uc3 s SER 5 Ca 0.12 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1uc3 s SER 5 Cb 0.11 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1uc3 s SER 5 CO 0.01 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.89 1uc3 n GLY 6 N -0.27 0.51 3.21 7.32 0.00 -1.26 -4.90 105.19 109.80 1uc3 n GLY 6 Ca -0.10 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.02 0.09 1.61 0.15 -1.26 -5.04 113.70 105.23 1uc3 s SER 7 Ca 0.00 -0.32 0.07 0.00 0.70 0.00 0.00 55.95 56.40 1uc3 s SER 7 Cb 0.00 0.32 -0.03 0.00 -1.71 0.00 0.00 66.02 64.59 1uc3 s SER 7 CO 0.00 -0.59 -0.18 0.68 1.20 0.00 0.00 173.24 174.35 1uc3 s VAL 8 N -2.62 1.50 0.83 4.45 -7.23 -1.26 -5.13 120.40 110.93 1uc3 s VAL 8 Ca -0.05 -1.48 -0.13 0.00 -1.81 0.00 0.00 61.98 58.52 1uc3 s VAL 8 Cb -0.01 -1.40 0.10 0.00 0.56 0.00 0.00 36.38 35.63 1uc3 s VAL 8 CO -0.04 -0.13 1.20 0.00 -0.31 0.00 0.00 175.10 175.81 1uc3 s ALA 9 N -1.25 1.75 0.46 1.32 0.00 -1.26 -4.93 121.76 117.85 1uc3 s ALA 9 Ca 0.04 0.81 -0.25 0.00 0.00 0.00 0.00 51.96 52.56 1uc3 s ALA 9 Cb -0.10 -3.49 -0.08 0.00 0.00 0.00 0.00 23.12 19.45 1uc3 s ALA 9 CO 0.04 -2.41 1.32 -2.30 0.00 0.00 0.00 175.76 172.41 1uc3 n PRO 10 N -3.50 1.96 -2.13 0.00 -0.02 -1.26 -4.90 135.00 125.14 1uc3 n PRO 10 Ca 0.13 0.70 -0.42 0.00 -2.02 0.00 0.00 63.50 61.89 1uc3 n PRO 10 Cb 0.51 -2.48 -0.03 0.00 -0.02 0.00 0.00 33.50 31.48 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 -2.27 4.33 0.89 2.45 1.43 -1.26 -5.00 118.68 119.26 1uc3 s LEU 11 Ca 0.63 2.23 -0.13 0.00 -1.03 0.00 0.00 54.13 55.83 1uc3 s LEU 11 Cb -0.47 -3.56 0.13 0.00 0.03 0.00 0.00 46.19 42.32 1uc3 s LEU 11 CO 0.56 -0.77 1.18 -0.94 0.23 0.00 0.00 176.35 176.61 1uc3 s SER 12 N 2.00 3.70 0.12 2.29 1.04 -1.26 -4.83 113.70 116.75 1uc3 s SER 12 Ca 0.67 0.78 -0.18 0.00 0.48 0.00 0.00 55.95 57.70 1uc3 s SER 12 Cb -0.34 -1.24 -0.04 0.00 0.10 0.00 0.00 66.02 64.50 1uc3 s SER 12 CO 0.28 -2.42 1.72 0.00 0.98 0.00 0.00 173.24 173.81 1uc3 h ALA 13 N -1.41 0.37 -0.21 5.32 0.00 -1.99 -0.94 119.26 120.40 1uc3 h ALA 13 Ca -0.48 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.39 1uc3 h ALA 13 Cb 1.32 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1uc3 h ALA 13 CO 0.59 -0.09 0.06 0.00 0.00 0.00 0.00 179.25 179.80 1uc3 h ALA 14 N 1.03 0.22 -0.28 0.00 0.00 -1.99 -1.10 119.26 117.14 1uc3 h ALA 14 Ca 0.10 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1uc3 h ALA 14 Cb 0.07 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1uc3 h ALA 14 CO -0.02 -0.37 0.16 0.93 0.00 0.00 0.00 179.25 179.96 1uc3 h GLU 15 N 0.15 0.33 -0.44 0.00 5.08 -1.88 -1.04 114.58 116.78 1uc3 h GLU 15 Ca 0.09 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1uc3 h GLU 15 Cb 0.08 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1uc3 h GLU 15 CO -0.11 0.22 0.21 0.87 -1.00 0.00 0.00 179.01 179.19 1uc3 h LYS 16 N 0.34 0.41 -0.88 2.33 1.57 -0.88 -0.07 116.57 119.39 1uc3 h LYS 16 Ca 0.11 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1uc3 h LYS 16 Cb -0.00 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.17 1uc3 h LYS 16 CO -0.05 0.27 0.58 1.15 -0.57 0.00 0.00 179.45 180.83 1uc3 h THR 17 N 0.42 1.18 -0.41 -0.16 2.02 -0.84 -0.40 112.91 114.72 1uc3 h THR 17 Ca 0.19 -0.39 -0.15 0.00 0.77 0.00 0.00 66.41 66.82 1uc3 h THR 17 Cb 0.11 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.45 1uc3 h THR 17 CO -0.14 0.21 -0.35 0.50 0.37 0.00 0.00 175.52 176.11 1uc3 h LYS 18 N 1.15 0.96 -0.39 6.66 3.11 -0.63 -2.77 116.57 124.65 1uc3 h LYS 18 Ca 0.34 -0.48 -0.02 0.00 -2.81 0.00 0.00 60.65 57.68 1uc3 h LYS 18 Cb -0.06 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.16 1uc3 h LYS 18 CO -0.10 1.15 0.18 0.82 -2.81 0.00 0.00 179.45 178.69 1uc3 h ILE 19 N 0.79 1.18 -0.84 2.00 2.04 -0.56 -1.85 117.51 120.28 1uc3 h ILE 19 Ca 0.07 -0.53 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 1uc3 h ILE 19 Cb 0.94 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 1uc3 h ILE 19 CO 0.09 0.20 0.43 0.03 0.00 0.00 0.00 178.15 178.89 1uc3 h ARG 20 N 0.50 1.19 -0.00 2.37 3.08 -1.04 0.21 114.38 120.68 1uc3 h ARG 20 Ca 0.13 -0.16 -0.17 0.00 0.07 0.00 0.00 59.98 59.86 1uc3 h ARG 20 Cb 0.14 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1uc3 h ARG 20 CO -0.01 0.90 -0.79 0.66 -1.07 0.00 0.00 179.97 179.66 1uc3 h SER 21 N 1.19 0.06 0.70 7.04 4.64 -1.39 -1.89 113.55 123.90 1uc3 h SER 21 Ca 0.29 -0.05 -0.17 0.00 -0.47 0.00 0.00 61.79 61.39 1uc3 h SER 21 Cb 0.08 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 1uc3 h SER 21 CO -0.04 0.82 -0.80 0.00 -0.87 0.00 0.00 176.83 175.94 1uc3 h ALA 22 N 1.17 0.66 0.16 5.18 0.00 -1.02 -3.31 119.26 122.10 1uc3 h ALA 22 Ca -0.02 -0.71 -0.29 0.00 0.00 0.00 0.00 54.91 53.90 1uc3 h ALA 22 Cb 1.39 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 19.08 1uc3 h ALA 22 CO 0.11 0.95 -1.29 2.35 0.00 0.00 0.00 179.25 181.36 1uc3 h TRP 23 N 0.04 0.66 -0.81 0.00 2.91 -0.90 -3.38 115.95 114.47 1uc3 h TRP 23 Ca -0.02 -0.47 0.13 0.00 1.13 0.00 0.00 58.89 59.66 1uc3 h TRP 23 Cb 1.41 -0.03 -0.14 0.00 -0.51 0.00 0.00 29.16 29.89 1uc3 h TRP 23 CO 0.01 1.36 -0.38 0.00 -1.03 0.00 0.00 178.44 178.40 1uc3 h ALA 24 N 0.46 0.02 -0.28 2.65 0.00 -1.43 0.64 119.26 121.33 1uc3 h ALA 24 Ca -0.17 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1uc3 h ALA 24 Cb 2.00 0.94 -0.01 0.00 0.00 0.00 0.00 17.79 20.72 1uc3 h ALA 24 CO 0.22 -0.67 0.18 -1.35 0.00 0.00 0.00 179.25 177.63 1uc3 h PRO 25 N -0.08 0.37 -0.54 0.00 0.11 -1.75 -0.59 132.00 129.52 1uc3 h PRO 25 Ca 0.28 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.39 1uc3 h PRO 25 Cb 0.57 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.57 1uc3 h PRO 25 CO -0.85 0.27 0.33 0.28 -0.21 0.00 0.00 178.00 177.82 1uc3 h VAL 26 N 0.37 1.08 0.02 3.15 2.07 -1.35 -2.99 116.25 118.60 1uc3 h VAL 26 Ca 0.10 -0.23 -0.21 0.00 0.82 0.00 0.00 66.70 67.18 1uc3 h VAL 26 Cb -0.02 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1uc3 h VAL 26 CO -0.02 0.12 -0.95 0.22 0.02 0.00 0.00 177.57 176.96 1uc3 h TYR 27 N 0.67 0.31 -0.20 1.57 5.03 -0.83 -1.65 116.97 121.86 1uc3 h TYR 27 Ca 0.21 -0.18 0.06 0.00 2.58 0.00 0.00 58.73 61.39 1uc3 h TYR 27 Cb -0.01 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.23 1uc3 h TYR 27 CO -0.05 1.04 0.28 0.66 -1.32 0.00 0.00 178.16 178.76 1uc3 h SER 28 N 0.10 0.00 -1.13 -2.11 4.64 -0.96 -0.82 113.55 113.26 1uc3 h SER 28 Ca -0.06 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.82 1uc3 h SER 28 Cb 1.61 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 63.29 1uc3 h SER 28 CO 0.15 0.00 -1.01 -3.20 -0.87 0.00 0.00 176.83 171.90 1uc3 n ASN 29 N -3.56 2.81 0.24 4.97 5.15 -1.10 -4.93 115.26 118.83 1uc3 n ASN 29 Ca 0.02 -3.08 0.07 0.00 -0.60 0.00 0.00 54.58 51.00 1uc3 n ASN 29 Cb 0.40 -0.49 0.60 0.00 -0.53 0.00 0.00 39.78 39.76 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 2.78 0.03 -0.05 1.20 -0.00 -0.16 -2.45 116.97 118.32 1uc3 h TYR 30 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 58.73 58.81 1uc3 h TYR 30 Cb 1.11 -0.01 -0.01 0.00 0.00 0.00 0.00 36.73 37.82 1uc3 h TYR 30 CO 0.63 0.05 -0.02 0.93 -0.00 0.00 0.00 178.16 179.76 1uc3 h GLU 31 N 0.03 -0.01 0.10 0.10 3.07 -1.86 0.45 114.58 116.46 1uc3 h GLU 31 Ca 0.01 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1uc3 h GLU 31 Cb 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 1uc3 h GLU 31 CO 0.00 -0.01 -0.05 1.15 -1.40 0.00 0.00 179.01 178.71 1uc3 h THR 32 N -0.01 1.13 -0.82 1.13 2.02 -1.91 -2.83 112.91 111.61 1uc3 h THR 32 Ca 0.02 -1.18 0.10 0.00 0.77 0.00 0.00 66.41 66.13 1uc3 h THR 32 Cb 0.04 1.84 -0.08 0.00 -1.74 0.00 0.00 68.15 68.22 1uc3 h THR 32 CO -0.05 0.27 0.46 0.28 0.37 0.00 0.00 175.52 176.85 1uc3 h SER 33 N -0.71 0.64 -0.39 4.18 0.02 -1.43 -1.68 113.55 114.18 1uc3 h SER 33 Ca -0.01 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1uc3 h SER 33 Cb 0.55 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 1uc3 h SER 33 CO 0.02 0.36 0.20 1.23 -1.14 0.00 0.00 176.83 177.49 1uc3 h GLY 34 N 0.76 0.60 0.90 -3.77 0.00 -0.16 -2.14 103.07 99.26 1uc3 h GLY 34 Ca 0.40 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.44 1uc3 h GLY 34 CO -0.26 0.28 -0.02 -2.08 0.00 0.00 0.00 176.54 174.45 1uc3 h VAL 35 N 0.50 1.03 -0.93 4.60 2.07 -1.15 -1.20 116.25 121.16 1uc3 h VAL 35 Ca 0.14 -0.24 0.10 0.00 0.82 0.00 0.00 66.70 67.52 1uc3 h VAL 35 Cb 0.10 1.19 -0.07 0.00 -1.52 0.00 0.00 31.29 31.00 1uc3 h VAL 35 CO -0.02 0.06 0.60 0.44 0.02 0.00 0.00 177.57 178.67 1uc3 h ASP 36 N -0.17 0.85 0.52 0.57 3.32 -1.30 0.21 116.42 120.41 1uc3 h ASP 36 Ca -0.01 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 1uc3 h ASP 36 Cb 0.15 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.55 1uc3 h ASP 36 CO 0.01 0.49 -0.25 0.40 -1.72 0.00 0.00 179.24 178.17 1uc3 h ILE 37 N 0.93 0.46 -0.27 0.35 2.04 -1.05 0.11 117.51 120.07 1uc3 h ILE 37 Ca 0.44 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 66.08 1uc3 h ILE 37 Cb 0.42 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1uc3 h ILE 37 CO -0.20 0.04 0.16 0.25 0.00 0.00 0.00 178.15 178.40 1uc3 h LEU 38 N -0.84 0.26 -0.34 1.44 5.85 -0.64 0.45 115.31 121.49 1uc3 h LEU 38 Ca -0.07 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.68 1uc3 h LEU 38 Cb 0.59 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1uc3 h LEU 38 CO 0.12 0.19 0.17 0.58 -0.34 0.00 0.00 178.44 179.16 1uc3 h VAL 39 N 0.33 0.98 -0.53 1.05 2.07 -0.60 0.60 116.25 120.15 1uc3 h VAL 39 Ca 0.11 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.53 1uc3 h VAL 39 Cb -0.01 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1uc3 h VAL 39 CO -0.05 0.06 0.35 0.50 0.02 0.00 0.00 177.57 178.46 1uc3 h LYS 40 N 0.35 0.60 0.00 1.57 3.64 -0.33 -0.32 116.57 122.08 1uc3 h LYS 40 Ca 0.14 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1uc3 h LYS 40 Cb 0.06 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1uc3 h LYS 40 CO -0.10 0.40 -0.01 0.35 -2.27 0.00 0.00 179.45 177.82 1uc3 h PHE 41 N 0.62 0.01 -0.11 1.91 3.57 0.13 -3.05 116.94 120.03 1uc3 h PHE 41 Ca 0.21 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.74 1uc3 h PHE 41 Cb 0.07 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 1uc3 h PHE 41 CO -0.00 0.80 -0.09 0.35 -2.23 0.00 0.00 178.31 177.15 1uc3 h PHE 42 N -0.78 -0.21 0.00 0.41 3.57 0.53 -1.66 116.94 118.80 1uc3 h PHE 42 Ca -0.00 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.44 1uc3 h PHE 42 Cb 0.80 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 1uc3 h PHE 42 CO 0.21 -0.13 -0.34 1.79 -2.23 0.00 0.00 178.31 177.60 1uc3 h THR 43 N -0.10 1.19 0.00 4.41 1.35 -1.21 -2.98 112.91 115.57 1uc3 h THR 43 Ca 0.07 -1.19 0.00 0.00 -0.55 0.00 0.00 66.41 64.74 1uc3 h THR 43 Cb 0.20 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1uc3 h THR 43 CO -0.17 0.34 -0.30 0.28 -0.25 0.00 0.00 175.52 175.41 1uc3 h SER 44 N 0.00 0.00 -2.45 5.36 0.02 -1.36 -3.40 113.55 111.72 1uc3 h SER 44 Ca -0.00 -0.08 -0.59 0.00 -0.84 0.00 0.00 61.79 60.28 1uc3 h SER 44 Cb 0.63 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.77 1uc3 h SER 44 CO 0.04 0.04 -0.84 0.41 -1.14 0.00 0.00 176.83 175.34 1uc3 n THR 45 N -2.35 0.20 -0.22 -2.27 -1.04 -0.65 -5.00 114.28 102.95 1uc3 n THR 45 Ca 0.04 -4.21 0.00 0.00 -2.04 0.00 0.00 64.05 57.84 1uc3 n THR 45 Cb 0.46 -1.93 0.07 0.00 -1.82 0.00 0.00 70.33 67.11 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 5.00 0.01 -0.98 -2.82 0.11 -1.78 -1.86 132.00 129.67 1uc3 h PRO 46 Ca 0.19 -0.00 0.15 0.00 0.11 0.00 0.00 66.00 66.45 1uc3 h PRO 46 Cb 0.82 -0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.84 1uc3 h PRO 46 CO 0.55 0.01 0.62 0.00 -0.21 0.00 0.00 178.00 178.97 1uc3 h ALA 47 N 1.66 1.66 0.00 -0.75 0.00 -1.94 0.18 119.26 120.06 1uc3 h ALA 47 Ca 0.32 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1uc3 h ALA 47 Cb 0.50 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1uc3 h ALA 47 CO -0.67 0.05 0.00 0.00 0.00 0.00 0.00 179.25 178.63 1uc3 h ALA 48 N 1.59 1.00 -0.97 0.00 0.00 -1.71 -3.08 119.26 116.08 1uc3 h ALA 48 Ca 0.52 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.46 1uc3 h ALA 48 Cb 0.70 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1uc3 h ALA 48 CO -0.29 0.00 0.64 1.96 0.00 0.00 0.00 179.25 181.56 1uc3 h GLN 49 N 0.00 1.21 -0.06 0.00 4.20 -0.60 -2.65 115.11 117.21 1uc3 h GLN 49 Ca 0.00 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.65 1uc3 h GLN 49 Cb 0.35 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 1uc3 h GLN 49 CO 0.00 0.80 0.22 1.05 -0.67 0.00 0.00 178.83 180.23 1uc3 h GLU 50 N 1.25 0.00 -0.00 1.46 4.11 -1.67 -1.58 114.58 118.14 1uc3 h GLU 50 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.81 1uc3 h GLU 50 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1uc3 h GLU 50 CO -0.11 0.00 -0.05 1.19 0.07 0.00 0.00 179.01 180.11 1uc3 n PHE 51 N -3.17 0.00 -3.39 2.06 3.72 -1.00 -4.34 117.46 111.35 1uc3 n PHE 51 Ca -0.01 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.05 1uc3 n PHE 51 Cb 0.29 -0.16 -0.05 0.00 -0.94 0.00 0.00 39.48 38.62 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 -0.99 3.42 -0.32 1.38 3.01 -0.60 -4.94 117.46 118.43 1uc3 n PHE 52 Ca 0.17 -3.72 0.28 0.00 1.01 0.00 0.00 57.45 55.20 1uc3 n PHE 52 Cb 0.23 -0.93 0.53 0.00 -0.01 0.00 0.00 39.48 39.31 1uc3 n PHE 52 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1uc3 n PRO 53 N 1.44 -0.06 0.00 -1.08 -0.02 -1.26 0.51 135.00 134.53 1uc3 n PRO 53 Ca 0.26 1.39 0.10 0.00 -2.02 0.00 0.00 63.50 63.23 1uc3 n PRO 53 Cb 0.37 -2.43 0.51 0.00 -0.02 0.00 0.00 33.50 31.93 1uc3 n PRO 53 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1uc3 n LYS 54 N -5.28 0.19 -0.31 -0.52 5.02 -1.26 -2.74 118.16 113.26 1uc3 n LYS 54 Ca 0.35 0.11 0.08 0.00 -2.02 0.00 0.00 58.31 56.83 1uc3 n LYS 54 Cb 1.18 -1.50 0.24 0.00 -0.02 0.00 0.00 35.03 34.93 1uc3 n LYS 54 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1uc3 n PHE 55 N -1.37 0.78 -1.68 2.13 3.72 0.18 -4.95 117.46 116.28 1uc3 n PHE 55 Ca 0.08 -0.54 -0.45 0.00 -0.05 0.00 0.00 57.45 56.49 1uc3 n PHE 55 Cb 0.20 -0.06 -0.04 0.00 -0.94 0.00 0.00 39.48 38.64 1uc3 n PHE 55 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1uc3 n LYS 56 N 0.90 2.47 0.00 -1.08 4.81 -1.11 -2.26 118.16 121.89 1uc3 n LYS 56 Ca 0.18 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.52 1uc3 n LYS 56 Cb 0.57 -2.77 0.00 0.00 0.02 0.00 0.00 35.03 32.85 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 4.25 1.39 3.50 3.14 0.00 -1.26 -5.03 105.19 111.18 1uc3 n GLY 57 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.86 3.26 -0.24 1.61 -1.94 -0.96 -4.89 119.30 115.29 1uc3 s MET 58 Ca 0.00 -0.46 -0.16 0.00 -1.71 0.00 0.00 55.69 53.36 1uc3 s MET 58 Cb 0.00 -4.07 -0.10 0.00 2.01 0.00 0.00 34.83 32.67 1uc3 s MET 58 CO 0.00 -1.40 -0.31 0.25 -0.01 0.00 0.00 175.02 173.55 1uc3 n THR 59 N 6.01 1.52 -1.71 2.05 -2.24 -1.26 -4.94 114.28 113.70 1uc3 n THR 59 Ca -0.01 -0.19 -0.34 0.00 -2.27 0.00 0.00 64.05 61.24 1uc3 n THR 59 Cb 0.47 -2.05 0.06 0.00 -2.10 0.00 0.00 70.33 66.71 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 -6.94 4.83 0.17 3.42 1.04 -1.26 -4.91 113.70 110.06 1uc3 s SER 60 Ca -0.35 2.20 -0.08 0.00 0.48 0.00 0.00 55.95 58.20 1uc3 s SER 60 Cb 0.11 -2.57 0.06 0.00 0.10 0.00 0.00 66.02 63.71 1uc3 s SER 60 CO 0.47 -1.82 1.57 0.00 0.98 0.00 0.00 173.24 174.44 1uc3 h ALA 61 N 0.12 0.74 -0.71 5.32 0.00 -1.96 -3.17 119.26 119.61 1uc3 h ALA 61 Ca -0.48 -0.39 0.16 0.00 0.00 0.00 0.00 54.91 54.20 1uc3 h ALA 61 Cb 1.27 -0.16 -0.12 0.00 0.00 0.00 0.00 17.79 18.78 1uc3 h ALA 61 CO 0.53 0.67 0.06 0.22 0.00 0.00 0.00 179.25 180.72 1uc3 h ASP 62 N 0.82 -0.21 0.04 0.00 3.58 -2.01 -1.95 116.42 116.69 1uc3 h ASP 62 Ca 0.11 0.17 -0.00 0.00 0.42 0.00 0.00 57.03 57.72 1uc3 h ASP 62 Cb 0.78 0.28 0.00 0.00 1.72 0.00 0.00 39.33 42.11 1uc3 h ASP 62 CO 0.06 -0.12 -0.02 1.56 -2.88 0.00 0.00 179.24 177.85 1uc3 h GLN 63 N 0.16 -0.05 -0.70 0.28 4.20 -1.94 -3.20 115.11 113.84 1uc3 h GLN 63 Ca 0.39 0.00 0.08 0.00 0.06 0.00 0.00 58.65 59.18 1uc3 h GLN 63 Cb 0.66 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.39 1uc3 h GLN 63 CO -0.58 0.14 0.36 -0.07 -0.67 0.00 0.00 178.83 178.02 1uc3 h LEU 64 N -0.24 0.49 -2.15 1.46 3.38 -1.45 -1.28 115.31 115.53 1uc3 h LEU 64 Ca -0.01 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1uc3 h LEU 64 Cb 0.22 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1uc3 h LEU 64 CO 0.01 0.29 -0.03 0.11 0.09 0.00 0.00 178.44 178.91 1uc3 h LYS 65 N 0.63 0.00 0.00 1.13 1.57 -1.38 -2.35 116.57 116.17 1uc3 h LYS 65 Ca 0.34 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 59.03 1uc3 h LYS 65 Cb 0.32 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1uc3 h LYS 65 CO -0.24 0.03 -0.99 0.87 -0.57 0.00 0.00 179.45 178.55 1uc3 h LYS 66 N 0.00 0.00 -6.59 3.15 1.57 -1.26 -3.46 116.57 109.98 1uc3 h LYS 66 Ca -0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1uc3 h LYS 66 Cb 0.07 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.42 1uc3 h LYS 66 CO 0.00 0.20 0.88 0.45 -0.57 0.00 0.00 179.45 180.42 1uc3 s SER 67 N -5.80 6.59 0.31 0.86 0.15 -0.84 -4.91 113.70 110.06 1uc3 s SER 67 Ca 0.00 2.60 0.04 0.00 0.70 0.00 0.00 55.95 59.29 1uc3 s SER 67 Cb 0.08 -2.59 0.50 0.00 -1.71 0.00 0.00 66.02 62.30 1uc3 s SER 67 CO 0.78 -0.82 1.77 0.00 1.20 0.00 0.00 173.24 176.16 1uc3 h ALA 68 N 6.89 1.20 -0.08 5.45 0.00 -1.91 -1.80 119.26 129.00 1uc3 h ALA 68 Ca -0.43 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.07 1uc3 h ALA 68 Cb 1.20 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1uc3 h ALA 68 CO 0.91 0.52 -0.41 -0.44 0.00 0.00 0.00 179.25 179.83 1uc3 h ASP 69 N 0.37 0.19 0.02 0.00 3.32 -1.94 -1.01 116.42 117.37 1uc3 h ASP 69 Ca 0.06 -0.08 -0.23 0.00 0.02 0.00 0.00 57.03 56.79 1uc3 h ASP 69 Cb 0.60 -0.05 0.02 0.00 0.22 0.00 0.00 39.33 40.12 1uc3 h ASP 69 CO 0.04 0.59 -0.93 0.58 -1.72 0.00 0.00 179.24 177.80 1uc3 h VAL 70 N 0.16 1.33 0.44 -1.35 2.07 -1.74 -2.78 116.25 114.37 1uc3 h VAL 70 Ca 0.01 -2.23 -0.02 0.00 0.82 0.00 0.00 66.70 65.28 1uc3 h VAL 70 Cb 0.80 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 1uc3 h VAL 70 CO 0.06 0.68 -0.21 0.03 0.02 0.00 0.00 177.57 178.15 1uc3 h ARG 71 N 0.20 -0.57 -0.31 1.57 3.08 -1.22 0.25 114.38 117.39 1uc3 h ARG 71 Ca -0.12 0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.04 1uc3 h ARG 71 Cb 1.61 0.13 -0.07 0.00 0.08 0.00 0.00 29.97 31.72 1uc3 h ARG 71 CO 0.18 -0.33 -0.17 2.35 -1.07 0.00 0.00 179.97 180.93 1uc3 h TRP 72 N -0.68 -0.42 -0.83 3.04 -0.00 -1.30 0.85 115.95 116.61 1uc3 h TRP 72 Ca -0.06 0.04 0.02 0.00 -0.00 0.00 0.00 58.89 58.89 1uc3 h TRP 72 Cb 0.50 0.23 -0.05 0.00 -0.00 0.00 0.00 29.16 29.85 1uc3 h TRP 72 CO -0.03 -0.24 0.55 1.25 -0.00 0.00 0.00 178.44 179.97 1uc3 h HIS 73 N -0.13 1.03 -0.32 2.65 2.76 -1.42 -2.09 115.15 117.63 1uc3 h HIS 73 Ca 0.16 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.26 1uc3 h HIS 73 Cb 0.37 -0.34 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 1uc3 h HIS 73 CO -0.37 0.62 -0.19 0.00 -1.30 0.00 0.00 177.93 176.69 1uc3 h ALA 74 N 1.33 1.07 -0.44 5.26 0.00 0.05 -2.59 119.26 123.93 1uc3 h ALA 74 Ca 0.32 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1uc3 h ALA 74 Cb -0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1uc3 h ALA 74 CO -0.09 0.57 -0.24 0.93 0.00 0.00 0.00 179.25 180.41 1uc3 h GLU 75 N 0.52 0.93 -0.53 0.00 5.08 -0.42 -2.18 114.58 117.98 1uc3 h GLU 75 Ca 0.08 -0.40 -0.09 0.00 -1.00 0.00 0.00 59.36 57.95 1uc3 h GLU 75 Cb 0.63 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1uc3 h GLU 75 CO 0.04 1.06 -0.00 0.00 -1.00 0.00 0.00 179.01 179.11 1uc3 h ARG 76 N 0.80 0.94 0.56 2.33 3.08 -1.22 -1.91 114.38 118.95 1uc3 h ARG 76 Ca 0.10 -0.30 -0.03 0.00 0.07 0.00 0.00 59.98 59.82 1uc3 h ARG 76 Cb 0.81 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.78 1uc3 h ARG 76 CO 0.07 0.96 -0.27 0.82 -1.07 0.00 0.00 179.97 180.48 1uc3 h ILE 77 N 0.82 0.42 -0.58 2.04 2.04 -1.39 -2.02 117.51 118.84 1uc3 h ILE 77 Ca 0.15 -0.16 0.10 0.00 1.00 0.00 0.00 64.86 65.95 1uc3 h ILE 77 Cb 0.54 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 1uc3 h ILE 77 CO 0.03 0.03 0.39 -0.29 0.00 0.00 0.00 178.15 178.30 1uc3 h ILE 78 N -0.86 0.89 0.00 -0.67 6.09 -1.40 -0.60 117.51 120.95 1uc3 h ILE 78 Ca -0.08 -0.12 -0.12 0.00 -1.37 0.00 0.00 64.86 63.17 1uc3 h ILE 78 Cb 0.62 0.49 -0.02 0.00 0.47 0.00 0.00 36.82 38.38 1uc3 h ILE 78 CO 0.13 0.07 -0.58 0.78 -3.07 0.00 0.00 178.15 175.47 1uc3 h ASN 79 N 0.36 0.00 -0.31 2.19 2.35 -1.18 -1.75 115.58 117.24 1uc3 h ASN 79 Ca 0.27 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.95 1uc3 h ASN 79 Cb 0.57 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 1uc3 h ASN 79 CO -0.07 0.58 -0.06 0.00 -1.65 0.00 0.00 177.43 176.23 1uc3 h ALA 80 N 1.42 0.43 -0.19 -0.83 0.00 -0.36 0.21 119.26 119.93 1uc3 h ALA 80 Ca -0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1uc3 h ALA 80 Cb 1.21 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1uc3 h ALA 80 CO 0.08 0.24 0.00 0.28 0.00 0.00 0.00 179.25 179.85 1uc3 h VAL 81 N 0.36 1.12 -0.22 0.00 2.07 -1.34 -1.55 116.25 116.69 1uc3 h VAL 81 Ca 0.08 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 1uc3 h VAL 81 Cb 0.54 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1uc3 h VAL 81 CO 0.03 0.16 0.03 -1.13 0.02 0.00 0.00 177.57 176.68 1uc3 h ASN 82 N 0.28 0.36 -0.62 0.57 -1.24 -0.70 -0.81 115.58 113.42 1uc3 h ASN 82 Ca 0.07 -0.27 0.08 0.00 0.71 0.00 0.00 56.30 56.89 1uc3 h ASN 82 Cb 0.18 -0.09 -0.07 0.00 0.73 0.00 0.00 38.32 39.07 1uc3 h ASN 82 CO 0.00 0.53 0.27 0.44 -1.29 0.00 0.00 177.43 177.38 1uc3 h ASP 83 N 0.17 0.31 -0.18 1.15 3.32 -0.07 0.10 116.42 121.23 1uc3 h ASP 83 Ca 0.07 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 1uc3 h ASP 83 Cb 0.33 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1uc3 h ASP 83 CO 0.01 0.19 0.11 0.00 -1.72 0.00 0.00 179.24 177.83 1uc3 h ALA 84 N 1.39 0.23 -0.85 3.45 0.00 -0.99 -1.42 119.26 121.07 1uc3 h ALA 84 Ca 0.30 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.23 1uc3 h ALA 84 Cb 0.33 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1uc3 h ALA 84 CO -0.27 -0.27 0.54 0.28 0.00 0.00 0.00 179.25 179.53 1uc3 h VAL 85 N 0.22 1.07 0.00 0.00 2.07 -0.30 -0.63 116.25 118.68 1uc3 h VAL 85 Ca 0.06 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1uc3 h VAL 85 Cb 0.02 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1uc3 h VAL 85 CO -0.01 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.76 1uc3 n ALA 86 N -2.35 2.08 -0.87 1.67 0.00 0.28 -2.99 120.51 118.33 1uc3 n ALA 86 Ca 0.12 -0.09 0.08 0.00 0.00 0.00 0.00 53.44 53.55 1uc3 n ALA 86 Cb 0.15 -1.36 0.18 0.00 0.00 0.00 0.00 19.45 18.41 1uc3 n ALA 86 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1uc3 n SER 87 N -1.39 2.96 0.33 0.00 7.64 -0.28 -4.70 113.62 118.18 1uc3 n SER 87 Ca 0.08 -2.88 0.21 0.00 1.01 0.00 0.00 58.87 57.29 1uc3 n SER 87 Cb 0.22 -0.42 1.12 0.00 -1.01 0.00 0.00 64.21 64.12 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 0.86 0.00 -0.56 1.43 2.86 -1.36 0.18 114.93 118.34 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 1.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.77 1uc3 h MET 88 CO 0.09 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 177.81 1uc3 n ASP 89 N -3.26 3.19 -2.99 1.22 8.00 -1.26 -4.48 116.55 116.96 1uc3 n ASP 89 Ca -0.03 -1.99 -0.15 0.00 0.71 0.00 0.00 54.79 53.34 1uc3 n ASP 89 Cb 0.10 -0.37 -0.02 0.00 -0.02 0.00 0.00 41.12 40.80 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 1.25 -1.88 0.18 -2.24 -0.08 0.64 -4.98 116.55 109.43 1uc3 n ASP 90 Ca 0.20 -2.84 0.08 0.00 -1.51 0.00 0.00 54.79 50.71 1uc3 n ASP 90 Cb 0.51 0.75 0.59 0.00 2.34 0.00 0.00 41.12 45.31 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 3.80 1.01 0.09 5.18 2.02 -1.78 -1.92 112.91 121.31 1uc3 h THR 91 Ca 0.06 -0.05 0.01 0.00 0.77 0.00 0.00 66.41 67.20 1uc3 h THR 91 Cb 1.00 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 1uc3 h THR 91 CO 0.27 0.03 -0.13 -0.08 0.37 0.00 0.00 175.52 175.98 1uc3 h GLU 92 N 0.14 -0.25 -0.49 6.66 4.81 -1.94 0.17 114.58 123.68 1uc3 h GLU 92 Ca 0.05 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1uc3 h GLU 92 Cb 0.04 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1uc3 h GLU 92 CO -0.01 -0.17 0.19 -0.22 -0.73 0.00 0.00 179.01 178.08 1uc3 h LYS 93 N -0.26 0.73 -0.86 1.92 3.64 -1.78 -1.92 116.57 118.03 1uc3 h LYS 93 Ca 0.02 -0.13 0.09 0.00 -1.27 0.00 0.00 60.65 59.36 1uc3 h LYS 93 Cb 0.27 -0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 31.90 1uc3 h LYS 93 CO -0.06 0.65 0.50 1.98 -2.27 0.00 0.00 179.45 180.25 1uc3 h MET 94 N 0.64 0.83 -0.37 1.90 4.05 -0.93 -2.18 114.93 118.88 1uc3 h MET 94 Ca 0.16 -0.05 -0.08 0.00 -0.28 0.00 0.00 59.70 59.45 1uc3 h MET 94 Cb 0.19 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 30.80 1uc3 h MET 94 CO -0.01 0.55 -0.09 0.77 0.23 0.00 0.00 176.91 178.35 1uc3 h SER 95 N 0.85 0.72 -0.43 1.39 0.02 -0.29 -2.06 113.55 113.74 1uc3 h SER 95 Ca 0.41 -0.37 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1uc3 h SER 95 Cb 0.35 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.66 1uc3 h SER 95 CO -0.24 0.92 0.22 0.24 -1.14 0.00 0.00 176.83 176.82 1uc3 h MET 96 N 0.51 0.42 -0.00 3.45 2.07 -0.76 0.17 114.93 120.79 1uc3 h MET 96 Ca 0.09 -0.03 -0.00 0.00 -2.07 0.00 0.00 59.70 57.70 1uc3 h MET 96 Cb 0.61 -0.10 -0.00 0.00 -1.87 0.00 0.00 31.60 30.24 1uc3 h MET 96 CO 0.04 0.28 -0.00 0.87 1.07 0.00 0.00 176.91 179.16 1uc3 h LYS 97 N 0.43 0.01 -0.41 1.72 1.57 -1.42 -1.93 116.57 116.54 1uc3 h LYS 97 Ca 0.19 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1uc3 h LYS 97 Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1uc3 h LYS 97 CO -0.13 0.48 0.23 -0.07 -0.57 0.00 0.00 179.45 179.39 1uc3 h LEU 98 N -0.46 0.50 -0.49 2.94 3.38 -1.30 0.08 115.31 119.96 1uc3 h LEU 98 Ca 0.00 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1uc3 h LEU 98 Cb 0.48 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1uc3 h LEU 98 CO 0.00 0.40 0.03 0.03 0.09 0.00 0.00 178.44 178.99 1uc3 h ARG 99 N 0.57 0.84 -0.76 1.13 3.08 -0.60 0.41 114.38 119.05 1uc3 h ARG 99 Ca 0.15 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1uc3 h ARG 99 Cb 0.01 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 29.94 1uc3 h ARG 99 CO -0.03 0.87 0.47 0.22 -1.07 0.00 0.00 179.97 180.43 1uc3 h ASP 100 N 0.70 0.89 -0.55 7.04 3.58 -0.39 -1.09 116.42 126.61 1uc3 h ASP 100 Ca 0.14 -0.05 -0.08 0.00 0.42 0.00 0.00 57.03 57.46 1uc3 h ASP 100 Cb 0.47 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 1uc3 h ASP 100 CO 0.02 0.68 0.03 0.25 -2.88 0.00 0.00 179.24 177.34 1uc3 h LEU 101 N 1.03 0.96 -0.48 2.28 5.85 -0.59 -2.13 115.31 122.23 1uc3 h LEU 101 Ca 0.27 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.78 1uc3 h LEU 101 Cb -0.07 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.67 1uc3 h LEU 101 CO -0.05 1.00 0.27 -1.28 -0.34 0.00 0.00 178.44 178.03 1uc3 h SER 102 N 0.92 0.41 -0.50 1.25 0.87 0.42 -1.32 113.55 115.61 1uc3 h SER 102 Ca 0.17 0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.80 1uc3 h SER 102 Cb 0.49 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.33 1uc3 h SER 102 CO 0.02 0.29 0.22 1.23 -0.53 0.00 0.00 176.83 178.07 1uc3 h GLY 103 N 0.53 0.68 0.78 5.77 0.00 -0.73 -1.30 103.07 108.81 1uc3 h GLY 103 Ca 0.20 -0.14 0.03 0.00 0.00 0.00 0.00 47.33 47.41 1uc3 h GLY 103 CO -0.11 0.07 0.04 0.50 0.00 0.00 0.00 176.54 177.04 1uc3 h LYS 104 N 0.43 0.12 -0.26 4.80 1.57 -0.74 -1.85 116.57 120.64 1uc3 h LYS 104 Ca 0.23 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.02 1uc3 h LYS 104 Cb 0.18 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1uc3 h LYS 104 CO -0.19 0.08 0.12 0.45 -0.57 0.00 0.00 179.45 179.34 1uc3 h HIS 105 N 0.13 0.22 0.00 -1.35 3.86 -0.81 -0.88 115.15 116.31 1uc3 h HIS 105 Ca 0.09 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1uc3 h HIS 105 Cb 0.08 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.49 1uc3 h HIS 105 CO -0.14 0.12 0.00 0.00 0.86 0.00 0.00 177.93 178.77 1uc3 h ALA 106 N 1.14 1.00 -2.06 2.45 0.00 -1.12 -0.29 119.26 120.38 1uc3 h ALA 106 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1uc3 h ALA 106 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1uc3 h ALA 106 CO -0.09 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.79 1uc3 n LYS 107 N -2.39 0.00 0.06 0.00 5.02 -0.71 -4.55 118.16 115.59 1uc3 n LYS 107 Ca 0.03 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.21 1uc3 n LYS 107 Cb 0.33 -0.03 -0.06 0.00 -0.02 0.00 0.00 35.03 35.26 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 0.00 -0.26 1.70 4.39 0.02 -1.59 -3.13 113.55 114.68 1uc3 h SER 108 Ca 0.00 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1uc3 h SER 108 Cb 0.00 0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 1uc3 h SER 108 CO 0.00 -0.14 -0.13 -0.26 -1.14 0.00 0.00 176.83 175.16 1uc3 h PHE 109 N -0.18 0.00 -6.20 3.45 0.04 -1.28 -3.48 116.94 109.29 1uc3 h PHE 109 Ca 0.03 0.00 -0.45 0.00 2.80 0.00 0.00 57.97 60.34 1uc3 h PHE 109 Cb 0.20 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.36 1uc3 h PHE 109 CO -0.14 0.13 -0.78 1.04 -0.60 0.00 0.00 178.31 177.96 1uc3 n GLN 110 N -3.15 -5.43 -3.59 1.51 1.13 -0.25 -4.95 117.38 102.66 1uc3 n GLN 110 Ca 0.03 0.62 -0.38 0.00 -1.94 0.00 0.00 57.00 55.33 1uc3 n GLN 110 Cb 0.55 -5.39 -0.06 0.00 0.11 0.00 0.00 30.24 25.45 1uc3 n GLN 110 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1uc3 s VAL 111 N -3.44 5.13 0.05 5.09 -7.23 -0.45 -5.03 120.40 114.53 1uc3 s VAL 111 Ca 0.41 0.70 -0.30 0.00 -1.81 0.00 0.00 61.98 60.98 1uc3 s VAL 111 Cb -0.21 -3.64 -0.08 0.00 0.56 0.00 0.00 36.38 33.01 1uc3 s VAL 111 CO 0.82 0.59 1.75 -0.62 -0.31 0.00 0.00 175.10 177.33 1uc3 s ASP 112 N -1.07 6.55 0.00 4.85 -1.08 -1.26 -4.68 116.67 119.98 1uc3 s ASP 112 Ca 0.22 2.53 0.10 0.00 -0.52 0.00 0.00 52.55 54.87 1uc3 s ASP 112 Cb -0.16 -2.55 0.45 0.00 -1.46 0.00 0.00 42.92 39.21 1uc3 s ASP 112 CO 0.11 -0.95 1.29 -0.81 0.52 0.00 0.00 175.17 175.33 1uc3 n PRO 113 N 6.35 0.04 0.17 4.34 -0.04 -1.26 -3.22 135.00 141.39 1uc3 n PRO 113 Ca 0.17 0.29 0.02 0.00 -0.04 0.00 0.00 63.50 63.94 1uc3 n PRO 113 Cb 0.41 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.68 1uc3 n PRO 113 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1uc3 h GLN 114 N 0.00 0.00 0.00 0.54 4.20 -2.03 -3.23 115.11 114.60 1uc3 h GLN 114 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1uc3 h GLN 114 Cb 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1uc3 h GLN 114 CO 0.00 0.43 0.00 1.88 -0.67 0.00 0.00 178.83 180.47 1uc3 h TYR 115 N 0.00 0.00 -0.45 2.96 0.05 -1.96 -3.35 116.97 114.21 1uc3 h TYR 115 Ca -0.00 0.00 0.09 0.00 0.05 0.00 0.00 58.73 58.87 1uc3 h TYR 115 Cb 0.76 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 38.41 1uc3 h TYR 115 CO 0.00 0.00 -0.16 0.74 -1.05 0.00 0.00 178.16 177.69 1uc3 h PHE 116 N 0.00 -0.37 0.00 4.88 0.04 -1.79 -0.71 116.94 118.99 1uc3 h PHE 116 Ca 0.00 0.04 -0.06 0.00 2.80 0.00 0.00 57.97 60.75 1uc3 h PHE 116 Cb 0.72 0.23 -0.01 0.00 2.20 0.00 0.00 35.95 39.10 1uc3 h PHE 116 CO 0.00 -0.24 -0.29 1.57 -0.60 0.00 0.00 178.31 178.75 1uc3 h LYS 117 N -0.06 0.00 -0.33 1.51 2.10 -1.83 -1.18 116.57 116.79 1uc3 h LYS 117 Ca 0.22 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.83 1uc3 h LYS 117 Cb 0.39 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.71 1uc3 h LYS 117 CO -0.49 0.29 0.07 0.28 -2.00 0.00 0.00 179.45 177.59 1uc3 h VAL 118 N 0.00 1.23 -0.03 0.07 2.07 -1.36 -0.21 116.25 118.02 1uc3 h VAL 118 Ca -0.00 -0.78 -0.14 0.00 0.82 0.00 0.00 66.70 66.60 1uc3 h VAL 118 Cb 0.52 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1uc3 h VAL 118 CO 0.04 0.26 -0.64 0.25 0.02 0.00 0.00 177.57 177.50 1uc3 h LEU 119 N 0.37 0.12 -0.90 2.57 5.85 -1.14 -2.88 115.31 119.30 1uc3 h LEU 119 Ca 0.10 -0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.64 1uc3 h LEU 119 Cb 0.32 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1uc3 h LEU 119 CO 0.00 0.72 -0.38 0.00 -0.34 0.00 0.00 178.44 178.45 1uc3 h ALA 120 N 1.27 1.06 -0.43 1.25 0.00 -1.00 -2.08 119.26 119.34 1uc3 h ALA 120 Ca -0.01 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1uc3 h ALA 120 Cb 1.14 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1uc3 h ALA 120 CO 0.09 0.59 0.07 0.00 0.00 0.00 0.00 179.25 180.00 1uc3 h ALA 121 N 1.32 0.57 -0.19 0.00 0.00 -0.85 0.44 119.26 120.54 1uc3 h ALA 121 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1uc3 h ALA 121 Cb 0.80 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1uc3 h ALA 121 CO 0.06 0.28 0.12 0.28 0.00 0.00 0.00 179.25 179.99 1uc3 h VAL 122 N 0.56 1.04 -0.58 0.00 2.07 -1.31 0.21 116.25 118.24 1uc3 h VAL 122 Ca 0.13 -0.08 0.06 0.00 0.82 0.00 0.00 66.70 67.63 1uc3 h VAL 122 Cb 0.37 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 1uc3 h VAL 122 CO 0.01 0.04 0.29 0.40 0.02 0.00 0.00 177.57 178.33 1uc3 h ILE 123 N 0.24 0.92 -0.34 4.57 2.04 -1.13 -0.43 117.51 123.39 1uc3 h ILE 123 Ca 0.07 -0.19 -0.08 0.00 1.00 0.00 0.00 64.86 65.67 1uc3 h ILE 123 Cb -0.02 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 1uc3 h ILE 123 CO -0.02 0.10 -0.11 0.00 0.00 0.00 0.00 178.15 178.11 1uc3 h ALA 124 N 1.33 1.18 -0.55 1.87 0.00 -0.39 -1.48 119.26 121.23 1uc3 h ALA 124 Ca 0.27 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1uc3 h ALA 124 Cb 0.20 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1uc3 h ALA 124 CO -0.20 0.52 0.00 0.22 0.00 0.00 0.00 179.25 179.80 1uc3 h ASP 125 N 0.53 0.91 0.57 0.00 3.58 0.56 -1.04 116.42 121.53 1uc3 h ASP 125 Ca 0.10 -0.24 -0.20 0.00 0.42 0.00 0.00 57.03 57.10 1uc3 h ASP 125 Cb 0.51 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 1uc3 h ASP 125 CO 0.03 0.97 -0.91 0.74 -2.88 0.00 0.00 179.24 177.19 1uc3 h THR 126 N 0.86 1.49 0.12 2.25 2.02 -0.86 -3.18 112.91 115.62 1uc3 h THR 126 Ca 0.16 -2.65 -0.26 0.00 0.77 0.00 0.00 66.41 64.44 1uc3 h THR 126 Cb 0.51 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 69.42 1uc3 h THR 126 CO 0.02 0.77 -1.27 0.58 0.37 0.00 0.00 175.52 176.00 1uc3 h VAL 127 N 0.12 1.15 -0.06 3.16 2.07 -1.19 -3.45 116.25 118.05 1uc3 h VAL 127 Ca -0.05 -2.44 -0.14 0.00 0.82 0.00 0.00 66.70 64.89 1uc3 h VAL 127 Cb 1.55 2.83 -0.14 0.00 -1.52 0.00 0.00 31.29 34.01 1uc3 h VAL 127 CO 0.14 0.70 -0.28 0.00 0.02 0.00 0.00 177.57 178.16 1uc3 n ALA 128 N -2.89 -2.51 -1.66 1.67 0.00 -0.43 -4.83 120.51 109.85 1uc3 n ALA 128 Ca -0.22 -0.83 -0.54 0.00 0.00 0.00 0.00 53.44 51.85 1uc3 n ALA 128 Cb 0.88 -2.28 -0.06 0.00 0.00 0.00 0.00 19.45 17.99 1uc3 n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uc3 n ALA 129 N 1.71 -0.26 0.00 0.00 0.00 -0.96 -0.81 120.51 120.18 1uc3 n ALA 129 Ca 0.06 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1uc3 n ALA 129 Cb 0.66 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.90 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 3.53 1.80 3.64 0.00 0.00 -1.26 -5.02 105.19 107.88 1uc3 n GLY 130 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.74 6.60 0.45 1.61 2.15 0.01 -4.86 116.67 119.90 1uc3 s ASP 131 Ca 0.00 1.61 0.18 0.00 0.43 0.00 0.00 52.55 54.77 1uc3 s ASP 131 Cb 0.00 -2.54 1.06 0.00 -0.30 0.00 0.00 42.92 41.15 1uc3 s ASP 131 CO 0.00 -1.07 1.98 0.00 -0.17 0.00 0.00 175.17 175.91 1uc3 h ALA 132 N 9.71 1.52 0.07 3.66 0.00 -1.95 -2.73 119.26 129.54 1uc3 h ALA 132 Ca -0.31 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1uc3 h ALA 132 Cb 1.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1uc3 h ALA 132 CO 1.00 0.25 -0.03 0.78 0.00 0.00 0.00 179.25 181.25 1uc3 h GLY 133 N 0.74 -0.10 1.66 0.00 0.00 -1.93 -2.53 103.07 100.92 1uc3 h GLY 133 Ca -0.00 0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 1uc3 h GLY 133 CO 0.03 -0.04 -0.01 -2.75 0.00 0.00 0.00 176.54 173.77 1uc3 h PHE 134 N -0.42 0.44 -0.30 5.60 3.57 -1.86 -1.71 116.94 122.25 1uc3 h PHE 134 Ca -0.01 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.38 1uc3 h PHE 134 Cb 0.37 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1uc3 h PHE 134 CO 0.03 0.45 -0.12 0.93 -2.23 0.00 0.00 178.31 177.38 1uc3 h GLU 135 N 0.41 0.51 -0.82 1.11 5.08 -1.43 -0.77 114.58 118.67 1uc3 h GLU 135 Ca 0.09 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1uc3 h GLU 135 Cb 0.29 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 1uc3 h GLU 135 CO 0.01 0.63 0.42 -0.22 -1.00 0.00 0.00 179.01 178.84 1uc3 h LYS 136 N 0.47 1.17 -0.59 2.33 3.64 -0.87 0.20 116.57 122.93 1uc3 h LYS 136 Ca 0.09 -0.16 -0.08 0.00 -1.27 0.00 0.00 60.65 59.23 1uc3 h LYS 136 Cb 0.49 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1uc3 h LYS 136 CO 0.03 0.89 0.05 1.25 -2.27 0.00 0.00 179.45 179.39 1uc3 h LEU 137 N 1.16 0.97 -0.73 5.20 6.46 -1.15 0.25 115.31 127.47 1uc3 h LEU 137 Ca 0.29 -0.29 -0.06 0.00 -0.12 0.00 0.00 57.88 57.70 1uc3 h LEU 137 Cb 0.09 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 39.73 1uc3 h LEU 137 CO -0.04 1.02 0.21 0.24 -0.62 0.00 0.00 178.44 179.25 1uc3 h MET 138 N 0.90 1.14 -0.35 1.25 2.86 -0.44 -0.75 114.93 119.54 1uc3 h MET 138 Ca 0.17 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1uc3 h MET 138 Cb 0.49 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 1uc3 h MET 138 CO 0.02 0.99 0.17 0.77 1.06 0.00 0.00 176.91 179.92 1uc3 h SER 139 N 1.09 0.46 -0.65 1.22 0.02 -0.22 0.20 113.55 115.66 1uc3 h SER 139 Ca 0.23 -0.12 0.06 0.00 -0.84 0.00 0.00 61.79 61.12 1uc3 h SER 139 Cb 0.33 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.70 1uc3 h SER 139 CO -0.00 0.45 0.36 0.24 -1.14 0.00 0.00 176.83 176.74 1uc3 h MET 140 N 0.44 0.65 -0.15 3.45 2.07 -0.56 0.86 114.93 121.69 1uc3 h MET 140 Ca 0.12 -0.04 -0.02 0.00 -2.07 0.00 0.00 59.70 57.69 1uc3 h MET 140 Cb 0.11 -0.15 -0.01 0.00 -1.87 0.00 0.00 31.60 29.69 1uc3 h MET 140 CO -0.02 0.43 0.02 0.82 1.07 0.00 0.00 176.91 179.23 1uc3 h ILE 141 N 0.67 1.23 -0.64 -1.22 2.04 -0.83 -2.02 117.51 116.75 1uc3 h ILE 141 Ca 0.29 -0.74 -0.05 0.00 1.00 0.00 0.00 64.86 65.37 1uc3 h ILE 141 Cb 0.18 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 1uc3 h ILE 141 CO -0.18 0.22 0.20 0.00 0.00 0.00 0.00 178.15 178.39 1uc3 h ILE 143 N 0.93 1.22 -0.31 0.00 2.04 -0.80 -1.88 117.51 118.72 1uc3 h ILE 143 Ca 0.21 -0.74 -0.12 0.00 1.00 0.00 0.00 64.86 65.20 1uc3 h ILE 143 Cb 0.26 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1uc3 h ILE 143 CO -0.01 0.26 -0.31 -0.07 0.00 0.00 0.00 178.15 178.02 1uc3 h LEU 144 N 0.52 0.69 -1.88 1.44 3.38 -0.91 -1.79 115.31 116.75 1uc3 h LEU 144 Ca 0.13 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1uc3 h LEU 144 Cb 0.28 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1uc3 h LEU 144 CO -0.00 0.96 -0.03 -0.07 0.09 0.00 0.00 178.44 179.38 1uc3 h LEU 145 N 0.57 0.00 0.00 1.67 3.38 0.14 -2.22 115.31 118.84 1uc3 h LEU 145 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1uc3 h LEU 145 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1uc3 h LEU 145 CO 0.07 0.03 -0.96 0.54 0.09 0.00 0.00 178.44 178.21 1uc3 n ARG 146 N -3.18 0.10 -0.01 1.13 1.74 -0.73 -4.46 116.66 111.24 1uc3 n ARG 146 Ca -0.01 -0.01 0.24 0.00 -0.77 0.00 0.00 57.85 57.29 1uc3 n ARG 146 Cb 0.25 -1.52 0.71 0.00 -1.02 0.00 0.00 32.46 30.88 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 0.00 0.00 1.53 0.55 4.64 -0.68 0.29 113.55 119.88 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 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1uc3 h SER 147 CO 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 176.83 175.62 1uc3 h ALA 148 N 1.40 0.82 0.00 5.18 0.00 -1.78 -3.51 119.26 121.37 1uc3 h ALA 148 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1uc3 h ALA 148 Cb 1.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1uc3 h ALA 148 CO -0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91