#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 3.86 0.17 4.25 1.01 -1.26 -4.99 121.20 124.25 1uc3 s ILE 2 Ca 0.00 1.64 0.09 0.00 0.00 0.00 0.00 60.65 62.38 1uc3 s ILE 2 Cb 0.00 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 1uc3 s ILE 2 CO 0.00 0.21 -0.19 0.68 0.00 0.00 0.00 174.94 175.64 1uc3 s VAL 3 N -1.45 1.90 -0.13 2.92 -7.23 -1.26 -5.00 120.40 110.14 1uc3 s VAL 3 Ca 0.50 -1.95 0.15 0.00 -1.81 0.00 0.00 61.98 58.86 1uc3 s VAL 3 Cb -0.24 -1.89 0.31 0.00 0.56 0.00 0.00 36.38 35.12 1uc3 s VAL 3 CO 0.30 -0.30 1.16 -0.90 -0.31 0.00 0.00 175.10 175.05 1uc3 n ASP 4 N 0.25 1.80 -3.45 4.85 5.68 -1.26 -4.13 116.55 120.28 1uc3 n ASP 4 Ca -0.13 -3.18 -0.12 0.00 -0.50 0.00 0.00 54.79 50.87 1uc3 n ASP 4 Cb 0.57 -0.43 -0.02 0.00 -1.14 0.00 0.00 41.12 40.10 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 -2.75 -0.53 0.96 -1.12 1.04 -1.26 -4.30 113.70 105.74 1uc3 s SER 5 Ca 0.31 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.70 1uc3 s SER 5 Cb 0.29 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.99 1uc3 s SER 5 CO -0.02 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.85 1uc3 n GLY 6 N -0.36 1.14 3.57 7.32 0.00 -1.26 -4.92 105.19 110.68 1uc3 n GLY 6 Ca -0.17 -0.63 -0.09 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.08 -0.06 1.61 0.15 -1.26 -5.07 113.70 104.98 1uc3 s SER 7 Ca 0.00 -0.94 -0.13 0.00 0.70 0.00 0.00 55.95 55.58 1uc3 s SER 7 Cb 0.00 0.58 0.03 0.00 -1.71 0.00 0.00 66.02 64.91 1uc3 s SER 7 CO 0.00 -1.13 0.30 0.68 1.20 0.00 0.00 173.24 174.30 1uc3 s VAL 8 N -4.02 0.03 0.63 4.45 -7.23 -1.26 -5.11 120.40 107.88 1uc3 s VAL 8 Ca 0.23 -0.26 -0.19 0.00 -1.81 0.00 0.00 61.98 59.95 1uc3 s VAL 8 Cb -0.00 -0.52 -0.02 0.00 0.56 0.00 0.00 36.38 36.39 1uc3 s VAL 8 CO 0.09 -0.14 1.22 0.00 -0.31 0.00 0.00 175.10 175.96 1uc3 n ALA 9 N 2.07 0.96 -1.01 1.32 0.00 -1.26 -4.96 120.51 117.64 1uc3 n ALA 9 Ca -0.17 0.02 -0.34 0.00 0.00 0.00 0.00 53.44 52.95 1uc3 n ALA 9 Cb 0.57 -2.28 0.12 0.00 0.00 0.00 0.00 19.45 17.86 1uc3 n ALA 9 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1uc3 n PRO 10 N -1.58 0.01 -2.71 0.00 -0.02 -1.26 -4.93 135.00 124.51 1uc3 n PRO 10 Ca 0.15 0.07 -0.42 0.00 -2.02 0.00 0.00 63.50 61.28 1uc3 n PRO 10 Cb 0.47 -2.17 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 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 -3.64 4.30 0.93 2.45 1.43 -1.26 -5.04 118.68 117.85 1uc3 s LEU 11 Ca 0.67 1.58 -0.12 0.00 -1.03 0.00 0.00 54.13 55.23 1uc3 s LEU 11 Cb -0.28 -3.54 0.15 0.00 0.03 0.00 0.00 46.19 42.55 1uc3 s LEU 11 CO 0.57 -0.35 1.10 -0.94 0.23 0.00 0.00 176.35 176.96 1uc3 s SER 12 N 1.05 3.27 0.22 2.29 1.04 -1.26 -4.83 113.70 115.48 1uc3 s SER 12 Ca 0.50 1.26 -0.08 0.00 0.48 0.00 0.00 55.95 58.10 1uc3 s SER 12 Cb -0.19 -1.92 0.17 0.00 0.10 0.00 0.00 66.02 64.18 1uc3 s SER 12 CO 0.22 -2.74 1.81 0.00 0.98 0.00 0.00 173.24 173.52 1uc3 h ALA 13 N -1.62 1.07 -0.04 5.32 0.00 -2.00 -2.01 119.26 119.98 1uc3 h ALA 13 Ca -0.51 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.25 1uc3 h ALA 13 Cb 1.31 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1uc3 h ALA 13 CO 0.58 0.64 -0.02 0.00 0.00 0.00 0.00 179.25 180.44 1uc3 h ALA 14 N 1.21 0.02 -0.69 0.00 0.00 -2.00 -1.90 119.26 115.90 1uc3 h ALA 14 Ca 0.28 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.27 1uc3 h ALA 14 Cb 0.12 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1uc3 h ALA 14 CO -0.04 -0.51 0.40 0.93 0.00 0.00 0.00 179.25 180.04 1uc3 h GLU 15 N -0.02 0.73 -0.74 0.00 5.08 -1.86 -0.89 114.58 116.88 1uc3 h GLU 15 Ca 0.02 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1uc3 h GLU 15 Cb 0.06 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 1uc3 h GLU 15 CO -0.05 0.48 0.48 0.87 -1.00 0.00 0.00 179.01 179.79 1uc3 h LYS 16 N 0.75 0.95 -0.52 2.33 1.57 -1.01 0.10 116.57 120.74 1uc3 h LYS 16 Ca 0.30 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.92 1uc3 h LYS 16 Cb 0.15 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1uc3 h LYS 16 CO -0.17 0.63 -0.08 1.15 -0.57 0.00 0.00 179.45 180.42 1uc3 h THR 17 N 0.98 1.26 -0.15 -0.16 2.02 -0.75 -1.58 112.91 114.53 1uc3 h THR 17 Ca 0.28 -1.20 -0.02 0.00 0.77 0.00 0.00 66.41 66.24 1uc3 h THR 17 Cb -0.09 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1uc3 h THR 17 CO -0.07 0.42 0.03 0.50 0.37 0.00 0.00 175.52 176.77 1uc3 h LYS 18 N 0.86 0.25 -0.21 6.66 3.11 -0.62 -2.47 116.57 124.15 1uc3 h LYS 18 Ca 0.14 -0.06 0.03 0.00 -2.81 0.00 0.00 60.65 57.95 1uc3 h LYS 18 Cb 0.61 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.78 1uc3 h LYS 18 CO 0.04 0.41 0.04 0.82 -2.81 0.00 0.00 179.45 177.95 1uc3 h ILE 19 N 0.04 0.90 0.00 2.00 2.04 -0.68 -1.74 117.51 120.07 1uc3 h ILE 19 Ca 0.05 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 1uc3 h ILE 19 Cb 0.28 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1uc3 h ILE 19 CO 0.00 0.02 -0.13 0.03 0.00 0.00 0.00 178.15 178.08 1uc3 h ARG 20 N 0.12 0.00 0.03 2.37 3.08 -1.27 0.25 114.38 118.96 1uc3 h ARG 20 Ca 0.10 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.90 1uc3 h ARG 20 Cb 0.10 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.17 1uc3 h ARG 20 CO -0.13 0.13 -0.97 0.77 -1.07 0.00 0.00 179.97 178.70 1uc3 h SER 21 N 0.00 0.80 0.64 7.04 0.02 -0.90 -2.95 113.55 118.20 1uc3 h SER 21 Ca -0.00 -0.77 -0.19 0.00 -0.84 0.00 0.00 61.79 59.99 1uc3 h SER 21 Cb 0.33 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1uc3 h SER 21 CO 0.02 1.47 -0.86 0.00 -1.14 0.00 0.00 176.83 176.32 1uc3 h ALA 22 N 0.34 0.56 -0.07 3.77 0.00 -1.06 -3.35 119.26 119.46 1uc3 h ALA 22 Ca -0.13 -0.72 -0.02 0.00 0.00 0.00 0.00 54.91 54.04 1uc3 h ALA 22 Cb 1.65 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 1uc3 h ALA 22 CO 0.19 0.94 -0.04 2.35 0.00 0.00 0.00 179.25 182.68 1uc3 h TRP 23 N 0.08 0.17 -0.96 0.00 2.91 -1.02 -3.34 115.95 113.80 1uc3 h TRP 23 Ca -0.03 -0.05 0.16 0.00 1.13 0.00 0.00 58.89 60.10 1uc3 h TRP 23 Cb 1.48 -0.04 -0.17 0.00 -0.51 0.00 0.00 29.16 29.93 1uc3 h TRP 23 CO 0.02 0.55 -0.33 0.00 -1.03 0.00 0.00 178.44 177.65 1uc3 h ALA 24 N 0.59 0.31 -0.39 2.65 0.00 -1.64 0.17 119.26 120.95 1uc3 h ALA 24 Ca 0.01 0.30 0.07 0.00 0.00 0.00 0.00 54.91 55.29 1uc3 h ALA 24 Cb 0.51 0.90 -0.06 0.00 0.00 0.00 0.00 17.79 19.15 1uc3 h ALA 24 CO 0.01 -0.55 0.03 -1.35 0.00 0.00 0.00 179.25 177.39 1uc3 h PRO 25 N -0.01 0.13 0.18 0.00 0.11 -1.76 -0.07 132.00 130.57 1uc3 h PRO 25 Ca 0.38 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.47 1uc3 h PRO 25 Cb 0.63 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.71 1uc3 h PRO 25 CO -0.97 0.09 -0.08 0.28 -0.21 0.00 0.00 178.00 177.10 1uc3 h VAL 26 N 0.14 0.92 0.00 3.15 2.07 -1.21 -3.11 116.25 118.20 1uc3 h VAL 26 Ca 0.19 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 1uc3 h VAL 26 Cb 0.26 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1uc3 h VAL 26 CO -0.30 0.11 -0.17 0.22 0.02 0.00 0.00 177.57 177.45 1uc3 h TYR 27 N -0.47 0.00 -0.77 1.57 5.03 -0.90 -2.72 116.97 118.71 1uc3 h TYR 27 Ca -0.02 0.00 0.14 0.00 2.58 0.00 0.00 58.73 61.43 1uc3 h TYR 27 Cb 0.36 0.00 -0.05 0.00 1.55 0.00 0.00 36.73 38.59 1uc3 h TYR 27 CO 0.00 0.17 0.51 1.03 -1.32 0.00 0.00 178.16 178.56 1uc3 h SER 28 N 0.00 0.46 -0.46 -2.11 0.87 -0.93 -0.45 113.55 110.92 1uc3 h SER 28 Ca -0.00 0.02 -0.30 0.00 -1.23 0.00 0.00 61.79 60.29 1uc3 h SER 28 Cb 0.38 -0.07 -0.19 0.00 -0.44 0.00 0.00 62.40 62.09 1uc3 h SER 28 CO 0.02 0.24 -0.23 -3.20 -0.53 0.00 0.00 176.83 173.13 1uc3 n ASN 29 N -4.49 3.45 -0.34 6.23 4.05 -1.04 -4.87 115.26 118.25 1uc3 n ASN 29 Ca 0.14 -3.80 0.20 0.00 0.45 0.00 0.00 54.58 51.57 1uc3 n ASN 29 Cb 0.49 -0.58 0.42 0.00 1.23 0.00 0.00 39.78 41.34 1uc3 n ASN 29 CO 0.00 0.00 0.00 0.10 -3.05 0.00 0.00 177.26 174.31 1uc3 h TYR 30 N 1.38 0.95 -0.55 1.20 -0.00 -0.98 0.36 116.97 119.34 1uc3 h TYR 30 Ca 0.27 0.04 0.13 0.00 0.00 0.00 0.00 58.73 59.16 1uc3 h TYR 30 Cb 1.46 -0.26 -0.03 0.00 0.00 0.00 0.00 36.73 37.90 1uc3 h TYR 30 CO 1.00 -0.05 0.38 0.93 -0.00 0.00 0.00 178.16 180.43 1uc3 h GLU 31 N 0.46 0.17 0.02 0.10 3.07 -1.89 0.36 114.58 116.87 1uc3 h GLU 31 Ca 0.68 -0.01 -0.33 0.00 -0.50 0.00 0.00 59.36 59.20 1uc3 h GLU 31 Cb 1.40 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 29.23 1uc3 h GLU 31 CO -0.54 0.11 -1.84 2.41 -1.40 0.00 0.00 179.01 177.75 1uc3 n THR 32 N -4.43 1.58 0.07 1.13 -1.04 0.87 -4.08 114.28 108.38 1uc3 n THR 32 Ca 0.10 -0.29 -0.15 0.00 -2.04 0.00 0.00 64.05 61.67 1uc3 n THR 32 Cb 0.50 -1.89 -0.10 0.00 -1.82 0.00 0.00 70.33 67.03 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 -0.71 -1.57 -0.17 8.00 0.02 -0.12 -1.62 113.55 117.38 1uc3 h SER 33 Ca -0.48 0.17 0.05 0.00 -0.84 0.00 0.00 61.79 60.69 1uc3 h SER 33 Cb 1.58 0.59 -0.07 0.00 0.14 0.00 0.00 62.40 64.64 1uc3 h SER 33 CO -0.20 -0.51 -0.42 1.23 -1.14 0.00 0.00 176.83 175.78 1uc3 h GLY 34 N -0.67 -0.69 0.15 -3.77 0.00 -1.17 -1.15 103.07 95.77 1uc3 h GLY 34 Ca 0.01 0.53 0.20 0.00 0.00 0.00 0.00 47.33 48.06 1uc3 h GLY 34 CO -0.32 -0.22 0.62 -2.08 0.00 0.00 0.00 176.54 174.54 1uc3 h VAL 35 N -0.47 0.69 -0.05 4.60 2.07 -1.67 0.19 116.25 121.61 1uc3 h VAL 35 Ca 0.08 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1uc3 h VAL 35 Cb 0.62 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1uc3 h VAL 35 CO -0.42 0.12 -0.00 0.44 0.02 0.00 0.00 177.57 177.73 1uc3 h ASP 36 N 0.66 0.08 0.11 0.57 3.32 -0.27 -2.21 116.42 118.68 1uc3 h ASP 36 Ca 0.55 -0.31 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 1uc3 h ASP 36 Cb 1.00 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 1uc3 h ASP 36 CO -0.32 0.38 -0.08 0.40 -1.72 0.00 0.00 179.24 177.89 1uc3 h ILE 37 N -0.21 0.82 0.20 0.35 2.04 -0.00 -1.49 117.51 119.21 1uc3 h ILE 37 Ca 0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.89 1uc3 h ILE 37 Cb 0.33 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1uc3 h ILE 37 CO 0.00 0.00 -0.31 0.25 0.00 0.00 0.00 178.15 178.09 1uc3 h LEU 38 N -0.20 -0.88 -1.23 1.44 5.85 -0.72 -0.22 115.31 119.35 1uc3 h LEU 38 Ca -0.00 0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.89 1uc3 h LEU 38 Cb 0.18 0.32 -0.06 0.00 0.37 0.00 0.00 40.66 41.47 1uc3 h LEU 38 CO -0.00 -0.42 0.56 0.58 -0.34 0.00 0.00 178.44 178.82 1uc3 h VAL 39 N -0.59 1.00 -0.24 1.05 2.07 -1.38 0.23 116.25 118.39 1uc3 h VAL 39 Ca 0.01 -0.31 -0.09 0.00 0.82 0.00 0.00 66.70 67.14 1uc3 h VAL 39 Cb 0.58 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1uc3 h VAL 39 CO -0.13 0.16 -0.22 0.50 0.02 0.00 0.00 177.57 177.90 1uc3 h LYS 40 N 0.89 0.45 0.38 1.57 3.64 -0.66 0.13 116.57 122.96 1uc3 h LYS 40 Ca 0.39 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 1uc3 h LYS 40 Cb 0.33 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1uc3 h LYS 40 CO -0.15 0.64 -0.18 0.35 -2.27 0.00 0.00 179.45 177.83 1uc3 h PHE 41 N 0.40 -0.47 -0.18 1.91 3.57 0.68 -2.79 116.94 120.06 1uc3 h PHE 41 Ca 0.06 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.57 1uc3 h PHE 41 Cb 0.60 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.47 1uc3 h PHE 41 CO 0.02 -0.30 -0.23 0.35 -2.23 0.00 0.00 178.31 175.93 1uc3 h PHE 42 N -1.04 -0.69 -0.56 0.41 3.57 -0.59 0.14 116.94 118.16 1uc3 h PHE 42 Ca -0.05 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.61 1uc3 h PHE 42 Cb 0.39 0.33 -0.03 0.00 2.79 0.00 0.00 35.95 39.43 1uc3 h PHE 42 CO 0.01 -0.19 0.39 1.79 -2.23 0.00 0.00 178.31 178.08 1uc3 h THR 43 N -0.15 0.80 -0.01 4.41 1.35 -1.12 -1.75 112.91 116.43 1uc3 h THR 43 Ca 0.03 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1uc3 h THR 43 Cb 0.23 0.60 0.00 0.00 -1.73 0.00 0.00 68.15 67.26 1uc3 h THR 43 CO -0.25 0.03 -0.39 -1.54 -0.25 0.00 0.00 175.52 173.12 1uc3 n SER 44 N -4.43 1.13 -3.43 5.36 3.41 -0.65 -4.55 113.62 110.46 1uc3 n SER 44 Ca 0.10 -0.91 -0.26 0.00 -0.26 0.00 0.00 58.87 57.54 1uc3 n SER 44 Cb 0.51 0.28 -0.09 0.00 -0.26 0.00 0.00 64.21 64.65 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 -0.73 1.15 -0.07 6.66 -1.04 0.39 -5.02 114.28 115.63 1uc3 n THR 45 Ca 0.10 -4.70 -0.02 0.00 -2.04 0.00 0.00 64.05 57.39 1uc3 n THR 45 Cb 0.37 -2.04 -0.02 0.00 -1.82 0.00 0.00 70.33 66.82 1uc3 n THR 45 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1uc3 n PRO 46 N 1.33 -0.07 -0.43 -2.82 -0.02 -1.25 -1.46 135.00 130.28 1uc3 n PRO 46 Ca 0.26 0.88 0.35 0.00 -2.02 0.00 0.00 63.50 62.97 1uc3 n PRO 46 Cb 0.44 -1.31 0.65 0.00 -0.02 0.00 0.00 33.50 33.26 1uc3 n PRO 46 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uc3 h ALA 47 N -0.55 2.79 0.00 3.55 0.00 -1.95 0.58 119.26 123.69 1uc3 h ALA 47 Ca 0.03 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1uc3 h ALA 47 Cb 0.07 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1uc3 h ALA 47 CO -0.15 -1.33 0.00 0.00 0.00 0.00 0.00 179.25 177.76 1uc3 n ALA 48 N -2.59 2.32 0.02 0.00 0.00 -0.53 -3.83 120.51 115.90 1uc3 n ALA 48 Ca 0.34 -0.12 -0.05 0.00 0.00 0.00 0.00 53.44 53.61 1uc3 n ALA 48 Cb 1.35 -1.43 0.17 0.00 0.00 0.00 0.00 19.45 19.53 1uc3 n ALA 48 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1uc3 h GLN 49 N 0.00 0.46 0.00 0.00 4.20 0.15 -2.87 115.11 117.04 1uc3 h GLN 49 Ca 0.00 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.50 1uc3 h GLN 49 Cb 0.28 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 1uc3 h GLN 49 CO 0.00 0.75 -0.00 1.05 -0.67 0.00 0.00 178.83 179.95 1uc3 h GLU 50 N 0.39 0.00 -0.04 1.46 4.11 -1.75 -0.61 114.58 118.14 1uc3 h GLU 50 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.47 1uc3 h GLU 50 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1uc3 h GLU 50 CO 0.06 0.00 0.00 1.19 0.07 0.00 0.00 179.01 180.34 1uc3 n PHE 51 N -3.17 0.05 -3.33 2.06 3.72 -1.08 -4.04 117.46 111.67 1uc3 n PHE 51 Ca -0.03 -0.03 -0.27 0.00 -0.05 0.00 0.00 57.45 57.08 1uc3 n PHE 51 Cb 0.10 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.56 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 -0.50 3.26 -0.35 1.38 3.01 -0.24 -4.95 117.46 119.07 1uc3 n PHE 52 Ca 0.10 -4.07 0.22 0.00 1.01 0.00 0.00 57.45 54.71 1uc3 n PHE 52 Cb 0.09 -0.53 0.46 0.00 -0.01 0.00 0.00 39.48 39.49 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 3.97 0.40 0.00 -1.08 0.11 -1.80 -0.22 132.00 133.38 1uc3 h PRO 53 Ca 0.18 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1uc3 h PRO 53 Cb 0.67 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.69 1uc3 h PRO 53 CO 0.79 0.26 0.00 1.63 -0.21 0.00 0.00 178.00 180.48 1uc3 n LYS 54 N -4.89 0.18 -0.52 1.05 5.02 -1.26 -2.07 118.16 115.67 1uc3 n LYS 54 Ca 0.29 0.12 0.10 0.00 -2.02 0.00 0.00 58.31 56.80 1uc3 n LYS 54 Cb 0.92 -1.50 0.34 0.00 -0.02 0.00 0.00 35.03 34.76 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 1.28 -1.54 2.13 3.01 -0.09 -4.93 117.46 115.95 1uc3 n PHE 55 Ca 0.08 -0.58 -0.41 0.00 1.01 0.00 0.00 57.45 57.55 1uc3 n PHE 55 Cb 0.19 -0.16 -0.05 0.00 -0.01 0.00 0.00 39.48 39.45 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 1.23 1.22 0.00 -1.08 4.81 -0.88 -0.74 118.16 122.73 1uc3 n LYS 56 Ca 0.25 0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 1uc3 n LYS 56 Cb 0.79 -3.03 0.00 0.00 0.02 0.00 0.00 35.03 32.81 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 6.09 1.38 3.27 3.14 0.00 -1.26 -5.11 105.19 112.71 1uc3 n GLY 57 Ca 0.38 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 2.75 0.00 1.61 -1.94 0.08 -4.97 119.30 116.83 1uc3 s MET 58 Ca 0.00 -0.87 0.00 0.00 -1.71 0.00 0.00 55.69 53.11 1uc3 s MET 58 Cb 0.00 -2.25 0.00 0.00 2.01 0.00 0.00 34.83 34.59 1uc3 s MET 58 CO 0.00 0.33 0.14 0.25 -0.01 0.00 0.00 175.02 175.73 1uc3 n THR 59 N 3.11 0.00 -4.64 2.05 -2.24 -1.26 -4.98 114.28 106.33 1uc3 n THR 59 Ca -0.18 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.30 1uc3 n THR 59 Cb 0.52 1.08 -0.14 0.00 -2.10 0.00 0.00 70.33 69.70 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 0.00 3.36 0.24 3.42 1.04 -1.26 -4.90 113.70 115.60 1uc3 s SER 60 Ca 0.00 -0.63 -0.05 0.00 0.48 0.00 0.00 55.95 55.75 1uc3 s SER 60 Cb 0.00 -0.32 0.46 0.00 0.10 0.00 0.00 66.02 66.26 1uc3 s SER 60 CO 0.00 0.22 1.70 0.00 0.98 0.00 0.00 173.24 176.14 1uc3 h ALA 61 N 4.34 0.98 -0.12 5.32 0.00 -1.99 -2.17 119.26 125.62 1uc3 h ALA 61 Ca -0.49 0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.60 1uc3 h ALA 61 Cb 1.16 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1uc3 h ALA 61 CO 0.43 -0.30 -0.02 -0.44 0.00 0.00 0.00 179.25 178.91 1uc3 h ASP 62 N 0.32 -0.09 -0.47 0.00 5.19 -2.00 -1.11 116.42 118.27 1uc3 h ASP 62 Ca 0.41 0.03 -0.04 0.00 -0.62 0.00 0.00 57.03 56.82 1uc3 h ASP 62 Cb 0.68 0.07 -0.02 0.00 0.18 0.00 0.00 39.33 40.24 1uc3 h ASP 62 CO -0.47 -0.03 0.15 1.56 -3.12 0.00 0.00 179.24 177.33 1uc3 h GLN 63 N 0.01 0.73 0.76 3.56 4.20 -1.88 -3.14 115.11 119.34 1uc3 h GLN 63 Ca 0.06 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 1uc3 h GLN 63 Cb 0.08 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1uc3 h GLN 63 CO -0.11 0.69 -0.43 -0.07 -0.67 0.00 0.00 178.83 178.23 1uc3 h LEU 64 N 0.62 -1.07 -1.81 1.46 3.38 -1.18 -3.16 115.31 113.54 1uc3 h LEU 64 Ca 0.15 0.05 0.24 0.00 0.09 0.00 0.00 57.88 58.41 1uc3 h LEU 64 Cb 0.26 0.30 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 1uc3 h LEU 64 CO -0.01 -0.68 0.62 0.11 0.09 0.00 0.00 178.44 178.57 1uc3 h LYS 65 N -1.10 0.15 -1.07 1.13 1.57 -1.28 -1.22 116.57 114.74 1uc3 h LYS 65 Ca -0.10 -0.01 -0.45 0.00 -1.87 0.00 0.00 60.65 58.22 1uc3 h LYS 65 Cb 0.87 -0.03 -0.24 0.00 0.08 0.00 0.00 32.23 32.91 1uc3 h LYS 65 CO 0.13 0.10 0.57 1.63 -0.57 0.00 0.00 179.45 181.30 1uc3 n LYS 66 N -4.37 2.09 -5.24 3.15 5.02 -1.19 -4.88 118.16 112.74 1uc3 n LYS 66 Ca 0.19 -2.42 -0.31 0.00 -2.02 0.00 0.00 58.31 53.74 1uc3 n LYS 66 Cb 0.86 -1.95 -0.16 0.00 -0.02 0.00 0.00 35.03 33.77 1uc3 n LYS 66 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1uc3 s SER 67 N -0.86 3.19 0.20 4.39 0.15 -0.46 -5.02 113.70 115.29 1uc3 s SER 67 Ca 0.47 -0.44 -0.04 0.00 0.70 0.00 0.00 55.95 56.63 1uc3 s SER 67 Cb 0.38 -0.49 0.15 0.00 -1.71 0.00 0.00 66.02 64.35 1uc3 s SER 67 CO 0.05 0.31 1.58 0.00 1.20 0.00 0.00 173.24 176.38 1uc3 h ALA 68 N 5.56 0.80 0.43 5.45 0.00 -1.90 -2.84 119.26 126.76 1uc3 h ALA 68 Ca -0.42 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.05 1uc3 h ALA 68 Cb 1.13 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1uc3 h ALA 68 CO 0.48 0.65 -0.20 -0.44 0.00 0.00 0.00 179.25 179.73 1uc3 h ASP 69 N 0.59 -0.48 -0.97 0.00 3.32 -1.95 -1.13 116.42 115.80 1uc3 h ASP 69 Ca 0.06 -0.08 0.14 0.00 0.02 0.00 0.00 57.03 57.17 1uc3 h ASP 69 Cb 0.87 0.13 -0.09 0.00 0.22 0.00 0.00 39.33 40.46 1uc3 h ASP 69 CO 0.08 -0.19 0.58 0.58 -1.72 0.00 0.00 179.24 178.57 1uc3 h VAL 70 N -0.78 0.82 -0.11 -1.35 2.07 -1.82 -0.67 116.25 114.42 1uc3 h VAL 70 Ca -0.06 -0.29 -0.08 0.00 0.82 0.00 0.00 66.70 67.09 1uc3 h VAL 70 Cb 0.54 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1uc3 h VAL 70 CO 0.10 0.16 -0.26 0.03 0.02 0.00 0.00 177.57 177.61 1uc3 h ARG 71 N 0.85 0.36 -0.68 1.57 3.08 -1.44 -1.17 114.38 116.96 1uc3 h ARG 71 Ca 0.51 -0.25 0.03 0.00 0.07 0.00 0.00 59.98 60.34 1uc3 h ARG 71 Cb 0.63 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.67 1uc3 h ARG 71 CO -0.31 0.86 0.42 2.35 -1.07 0.00 0.00 179.97 182.22 1uc3 h TRP 72 N -0.08 0.79 -0.51 3.04 -0.00 -0.83 0.88 115.95 119.24 1uc3 h TRP 72 Ca -0.00 0.02 -0.04 0.00 -0.00 0.00 0.00 58.89 58.87 1uc3 h TRP 72 Cb 0.87 -0.26 -0.02 0.00 -0.00 0.00 0.00 29.16 29.75 1uc3 h TRP 72 CO 0.11 0.44 0.18 1.25 -0.00 0.00 0.00 178.44 180.43 1uc3 h HIS 73 N 0.82 0.80 -0.41 2.65 2.76 -1.15 -2.07 115.15 118.56 1uc3 h HIS 73 Ca 0.28 -0.07 -0.13 0.00 -2.20 0.00 0.00 60.37 58.24 1uc3 h HIS 73 Cb 0.03 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.75 1uc3 h HIS 73 CO -0.05 0.68 -0.28 0.00 -1.30 0.00 0.00 177.93 176.98 1uc3 h ALA 74 N 1.03 0.73 -0.56 5.26 0.00 -0.23 -2.24 119.26 123.25 1uc3 h ALA 74 Ca 0.17 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1uc3 h ALA 74 Cb 0.24 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1uc3 h ALA 74 CO -0.01 0.66 0.17 0.93 0.00 0.00 0.00 179.25 181.00 1uc3 h GLU 75 N 0.74 0.85 -0.28 0.00 5.08 0.93 -1.05 114.58 120.85 1uc3 h GLU 75 Ca 0.09 -0.16 -0.15 0.00 -1.00 0.00 0.00 59.36 58.14 1uc3 h GLU 75 Cb 0.84 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 1uc3 h GLU 75 CO 0.07 0.74 -0.40 0.00 -1.00 0.00 0.00 179.01 178.42 1uc3 h ARG 76 N 0.82 0.77 0.70 2.33 3.08 -1.23 -2.32 114.38 118.53 1uc3 h ARG 76 Ca 0.19 -0.45 -0.03 0.00 0.07 0.00 0.00 59.98 59.75 1uc3 h ARG 76 Cb 0.25 0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.35 1uc3 h ARG 76 CO -0.01 1.08 -0.33 0.82 -1.07 0.00 0.00 179.97 180.46 1uc3 h ILE 77 N 0.53 0.25 -0.52 2.04 2.04 -1.12 -1.88 117.51 118.84 1uc3 h ILE 77 Ca 0.03 -0.14 0.13 0.00 1.00 0.00 0.00 64.86 65.88 1uc3 h ILE 77 Cb 0.99 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1uc3 h ILE 77 CO 0.09 0.02 0.37 -0.29 0.00 0.00 0.00 178.15 178.34 1uc3 h ILE 78 N -1.04 0.80 0.00 -0.67 6.09 -1.28 0.68 117.51 122.09 1uc3 h ILE 78 Ca -0.10 -0.05 -0.01 0.00 -1.37 0.00 0.00 64.86 63.34 1uc3 h ILE 78 Cb 0.74 0.65 -0.00 0.00 0.47 0.00 0.00 36.82 38.68 1uc3 h ILE 78 CO 0.16 0.03 -0.03 0.78 -3.07 0.00 0.00 178.15 176.01 1uc3 h ASN 79 N 0.14 0.00 0.33 2.19 2.35 -1.15 -2.15 115.58 117.30 1uc3 h ASN 79 Ca 0.25 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.72 1uc3 h ASN 79 Cb 0.79 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.18 1uc3 h ASN 79 CO -0.03 0.03 -1.18 0.00 -1.65 0.00 0.00 177.43 174.60 1uc3 h ALA 80 N 1.97 0.12 -0.12 -0.83 0.00 -0.04 -1.93 119.26 118.42 1uc3 h ALA 80 Ca -0.00 -0.79 -0.10 0.00 0.00 0.00 0.00 54.91 54.02 1uc3 h ALA 80 Cb 0.91 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1uc3 h ALA 80 CO 0.00 0.80 -0.38 0.28 0.00 0.00 0.00 179.25 179.96 1uc3 h VAL 81 N 0.20 1.30 -0.23 0.00 2.07 -1.41 -2.45 116.25 115.74 1uc3 h VAL 81 Ca -0.15 -1.44 -0.03 0.00 0.82 0.00 0.00 66.70 65.90 1uc3 h VAL 81 Cb 1.85 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 33.23 1uc3 h VAL 81 CO 0.21 0.43 0.04 -1.13 0.02 0.00 0.00 177.57 177.14 1uc3 h ASN 82 N 0.23 0.36 -0.59 0.57 -1.24 -1.26 -1.58 115.58 112.06 1uc3 h ASN 82 Ca 0.02 -0.26 0.10 0.00 0.71 0.00 0.00 56.30 56.87 1uc3 h ASN 82 Cb 0.77 -0.10 -0.04 0.00 0.73 0.00 0.00 38.32 39.69 1uc3 h ASN 82 CO 0.06 0.53 0.40 0.44 -1.29 0.00 0.00 177.43 177.56 1uc3 h ASP 83 N 0.18 0.36 -0.22 1.15 3.32 -1.14 -0.13 116.42 119.93 1uc3 h ASP 83 Ca 0.07 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 1uc3 h ASP 83 Cb 0.32 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1uc3 h ASP 83 CO 0.00 0.22 -0.07 0.00 -1.72 0.00 0.00 179.24 177.67 1uc3 h ALA 84 N 1.70 0.31 0.00 3.45 0.00 -0.91 -1.92 119.26 121.89 1uc3 h ALA 84 Ca 0.27 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1uc3 h ALA 84 Cb 0.53 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1uc3 h ALA 84 CO -0.07 0.11 -0.40 -0.39 0.00 0.00 0.00 179.25 178.50 1uc3 h VAL 85 N 0.16 1.12 0.00 0.00 -1.51 -0.56 -2.37 116.25 113.10 1uc3 h VAL 85 Ca 0.05 -1.45 0.00 0.00 -1.23 0.00 0.00 66.70 64.07 1uc3 h VAL 85 Cb 0.54 1.82 0.00 0.00 -2.13 0.00 0.00 31.29 31.52 1uc3 h VAL 85 CO 0.02 0.39 0.00 0.00 -1.23 0.00 0.00 177.57 176.76 1uc3 h ALA 86 N 1.60 1.00 -0.25 5.19 0.00 -0.82 -3.19 119.26 122.79 1uc3 h ALA 86 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1uc3 h ALA 86 Cb 0.79 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 1uc3 h ALA 86 CO 0.05 0.00 -0.13 0.43 0.00 0.00 0.00 179.25 179.61 1uc3 n SER 87 N -2.67 2.57 0.29 0.00 7.64 -0.74 -4.65 113.62 116.05 1uc3 n SER 87 Ca 0.03 -3.61 0.17 0.00 1.01 0.00 0.00 58.87 56.46 1uc3 n SER 87 Cb 0.35 -0.58 0.83 0.00 -1.01 0.00 0.00 64.21 63.80 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 1.04 0.00 -0.03 1.43 2.86 -1.53 -0.93 114.93 117.76 1uc3 h MET 88 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1uc3 h MET 88 Cb 1.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.12 1uc3 h MET 88 CO 0.26 0.06 0.00 -0.25 1.06 0.00 0.00 176.91 178.04 1uc3 n ASP 89 N -3.33 1.58 -3.18 1.22 8.00 -1.26 -4.42 116.55 115.16 1uc3 n ASP 89 Ca -0.01 -1.54 -0.20 0.00 0.71 0.00 0.00 54.79 53.75 1uc3 n ASP 89 Cb 0.22 -0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.25 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 0.24 -1.26 0.18 -2.24 -0.08 -0.36 -4.98 116.55 108.05 1uc3 n ASP 90 Ca 0.19 -2.59 0.14 0.00 -1.51 0.00 0.00 54.79 51.01 1uc3 n ASP 90 Cb 0.36 0.13 0.72 0.00 2.34 0.00 0.00 41.12 44.67 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 4.30 0.76 0.50 5.18 2.02 -1.77 -2.38 112.91 121.53 1uc3 h THR 91 Ca 0.17 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.33 1uc3 h THR 91 Cb 0.96 0.89 -0.00 0.00 -1.74 0.00 0.00 68.15 68.26 1uc3 h THR 91 CO 0.29 0.00 -0.31 -0.08 0.37 0.00 0.00 175.52 175.80 1uc3 h GLU 92 N 0.00 -0.74 -0.74 6.66 4.81 -1.93 0.27 114.58 122.90 1uc3 h GLU 92 Ca 0.09 0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1uc3 h GLU 92 Cb 0.38 0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.89 1uc3 h GLU 92 CO -0.00 -0.49 0.49 -0.22 -0.73 0.00 0.00 179.01 178.05 1uc3 h LYS 93 N -0.77 0.97 -0.38 1.92 3.64 -1.80 -0.62 116.57 119.53 1uc3 h LYS 93 Ca -0.06 -0.06 0.07 0.00 -1.27 0.00 0.00 60.65 59.33 1uc3 h LYS 93 Cb 0.63 -0.22 -0.06 0.00 -0.41 0.00 0.00 32.23 32.17 1uc3 h LYS 93 CO 0.06 0.64 0.02 1.98 -2.27 0.00 0.00 179.45 179.89 1uc3 h MET 94 N 0.99 0.13 -0.63 1.90 4.05 -1.17 -1.97 114.93 118.23 1uc3 h MET 94 Ca 0.28 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.64 1uc3 h MET 94 Cb -0.10 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 30.64 1uc3 h MET 94 CO -0.07 0.09 0.20 0.77 0.23 0.00 0.00 176.91 178.13 1uc3 h SER 95 N 0.13 0.92 -0.17 1.39 0.02 -0.43 -0.97 113.55 114.44 1uc3 h SER 95 Ca 0.19 -0.20 0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1uc3 h SER 95 Cb 0.25 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 1uc3 h SER 95 CO -0.29 0.88 -0.05 0.24 -1.14 0.00 0.00 176.83 176.47 1uc3 h MET 96 N 0.91 -0.01 -0.19 3.45 2.07 -0.56 0.39 114.93 120.99 1uc3 h MET 96 Ca 0.20 0.00 -0.04 0.00 -2.07 0.00 0.00 59.70 57.80 1uc3 h MET 96 Cb 0.28 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.01 1uc3 h MET 96 CO -0.01 -0.01 -0.03 0.87 1.07 0.00 0.00 176.91 178.81 1uc3 h LYS 97 N -0.01 0.35 -0.29 1.72 1.57 -1.29 -2.42 116.57 116.21 1uc3 h LYS 97 Ca 0.08 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 1uc3 h LYS 97 Cb 0.14 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1uc3 h LYS 97 CO -0.18 0.59 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.21 1uc3 h LEU 98 N 0.09 0.41 -0.52 2.94 3.38 -0.96 -0.82 115.31 119.83 1uc3 h LEU 98 Ca 0.05 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 1uc3 h LEU 98 Cb 0.45 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1uc3 h LEU 98 CO 0.02 0.50 -0.08 0.03 0.09 0.00 0.00 178.44 178.99 1uc3 h ARG 99 N 0.43 0.96 -0.71 1.13 3.08 -0.11 0.15 114.38 119.31 1uc3 h ARG 99 Ca 0.09 -0.35 -0.01 0.00 0.07 0.00 0.00 59.98 59.78 1uc3 h ARG 99 Cb 0.31 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 1uc3 h ARG 99 CO 0.01 1.02 0.40 0.22 -1.07 0.00 0.00 179.97 180.55 1uc3 h ASP 100 N 0.83 0.89 -0.32 7.04 3.58 -0.88 -1.30 116.42 126.26 1uc3 h ASP 100 Ca 0.14 -0.09 -0.07 0.00 0.42 0.00 0.00 57.03 57.43 1uc3 h ASP 100 Cb 0.63 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.44 1uc3 h ASP 100 CO 0.04 0.72 -0.01 0.25 -2.88 0.00 0.00 179.24 177.36 1uc3 h LEU 101 N 0.98 0.65 -0.26 2.28 5.85 -0.94 -2.23 115.31 121.64 1uc3 h LEU 101 Ca 0.25 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1uc3 h LEU 101 Cb 0.02 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 1uc3 h LEU 101 CO -0.04 0.73 0.16 -1.28 -0.34 0.00 0.00 178.44 177.67 1uc3 h SER 102 N 0.64 0.27 -0.77 1.25 0.87 -0.05 -1.69 113.55 114.07 1uc3 h SER 102 Ca 0.13 -0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1uc3 h SER 102 Cb 0.42 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.28 1uc3 h SER 102 CO 0.02 0.20 0.50 1.23 -0.53 0.00 0.00 176.83 178.25 1uc3 h GLY 103 N 0.33 1.09 0.96 5.77 0.00 -0.89 -1.47 103.07 108.86 1uc3 h GLY 103 Ca 0.10 -0.40 0.02 0.00 0.00 0.00 0.00 47.33 47.05 1uc3 h GLY 103 CO -0.04 0.38 0.51 0.50 0.00 0.00 0.00 176.54 177.89 1uc3 h LYS 104 N 1.02 1.00 -0.48 4.80 1.57 -0.99 -0.20 116.57 123.29 1uc3 h LYS 104 Ca 0.29 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.97 1uc3 h LYS 104 Cb -0.09 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 31.97 1uc3 h LYS 104 CO -0.07 0.66 0.14 0.45 -0.57 0.00 0.00 179.45 180.07 1uc3 h HIS 105 N 1.04 0.79 0.00 -1.35 3.86 -0.80 -1.70 115.15 116.98 1uc3 h HIS 105 Ca 0.30 -0.08 -0.05 0.00 -1.16 0.00 0.00 60.37 59.37 1uc3 h HIS 105 Cb -0.08 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.16 1uc3 h HIS 105 CO -0.02 0.70 -0.25 0.00 0.86 0.00 0.00 177.93 179.22 1uc3 h ALA 106 N 1.00 0.86 0.00 2.45 0.00 -1.00 -0.45 119.26 122.12 1uc3 h ALA 106 Ca 0.16 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1uc3 h ALA 106 Cb 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1uc3 h ALA 106 CO -0.00 0.31 -0.21 1.63 0.00 0.00 0.00 179.25 180.98 1uc3 n LYS 107 N -3.18 0.11 0.06 0.00 5.02 -0.11 -4.49 118.16 115.57 1uc3 n LYS 107 Ca 0.03 0.04 -0.11 0.00 -2.02 0.00 0.00 58.31 56.25 1uc3 n LYS 107 Cb 0.60 -0.64 -0.08 0.00 -0.02 0.00 0.00 35.03 34.89 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 -0.21 -0.18 0.94 4.39 0.02 -1.56 -3.33 113.55 113.62 1uc3 h SER 108 Ca 0.00 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1uc3 h SER 108 Cb 0.21 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1uc3 h SER 108 CO 0.00 0.35 0.00 0.49 -1.14 0.00 0.00 176.83 176.53 1uc3 n PHE 109 N -4.94 0.18 -4.08 3.45 3.72 -0.71 -4.93 117.46 110.15 1uc3 n PHE 109 Ca -0.08 0.06 -0.31 0.00 -0.05 0.00 0.00 57.45 57.07 1uc3 n PHE 109 Cb 0.27 -0.59 -0.02 0.00 -0.94 0.00 0.00 39.48 38.19 1uc3 n PHE 109 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1uc3 n GLN 110 N -1.65 -3.48 -3.34 -1.08 6.02 -0.82 -4.91 117.38 108.12 1uc3 n GLN 110 Ca 0.06 0.41 -0.38 0.00 -0.01 0.00 0.00 57.00 57.07 1uc3 n GLN 110 Cb 0.31 -4.91 -0.06 0.00 1.02 0.00 0.00 30.24 26.60 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 -3.57 5.00 -0.13 5.09 -7.23 -0.24 -5.02 120.40 114.30 1uc3 s VAL 111 Ca 0.43 1.03 -0.29 0.00 -1.81 0.00 0.00 61.98 61.34 1uc3 s VAL 111 Cb -0.23 -3.83 -0.04 0.00 0.56 0.00 0.00 36.38 32.84 1uc3 s VAL 111 CO 0.90 0.46 1.64 -0.62 -0.31 0.00 0.00 175.10 177.17 1uc3 s ASP 112 N -0.33 6.52 0.16 4.85 -1.08 -1.26 -4.70 116.67 120.82 1uc3 s ASP 112 Ca 0.27 1.94 0.12 0.00 -0.52 0.00 0.00 52.55 54.36 1uc3 s ASP 112 Cb -0.17 -2.53 0.63 0.00 -1.46 0.00 0.00 42.92 39.38 1uc3 s ASP 112 CO 0.14 -1.09 1.38 -0.81 0.52 0.00 0.00 175.17 175.31 1uc3 n PRO 113 N 7.38 0.08 0.28 4.34 -0.04 -1.26 -2.91 135.00 142.86 1uc3 n PRO 113 Ca 0.18 0.53 0.14 0.00 -0.04 0.00 0.00 63.50 64.32 1uc3 n PRO 113 Cb 0.44 -1.73 0.84 0.00 -0.04 0.00 0.00 33.50 33.01 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 -2.02 -2.98 115.11 114.85 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 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1uc3 h GLN 114 CO 0.00 0.06 -0.33 0.66 -0.67 0.00 0.00 178.83 178.55 1uc3 n TYR 115 N -3.66 0.36 -0.15 2.96 4.01 -1.15 -4.17 117.16 115.36 1uc3 n TYR 115 Ca -0.02 0.10 -0.05 0.00 -0.16 0.00 0.00 57.90 57.77 1uc3 n TYR 115 Cb 0.17 -0.57 0.04 0.00 -0.31 0.00 0.00 39.34 38.66 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 0.40 -0.17 -0.72 0.04 -1.76 -1.37 116.94 113.36 1uc3 h PHE 116 Ca 0.00 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.71 1uc3 h PHE 116 Cb 0.62 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.65 1uc3 h PHE 116 CO 0.00 0.19 -0.24 1.57 -0.60 0.00 0.00 178.31 179.24 1uc3 h LYS 117 N 0.43 0.31 -0.43 1.51 2.10 -1.80 -0.61 116.57 118.08 1uc3 h LYS 117 Ca 0.20 -0.10 -0.13 0.00 -2.00 0.00 0.00 60.65 58.62 1uc3 h LYS 117 Cb 0.12 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.42 1uc3 h LYS 117 CO -0.15 0.54 -0.25 0.28 -2.00 0.00 0.00 179.45 177.87 1uc3 h VAL 118 N 0.28 1.27 -0.05 0.07 2.07 -1.60 -0.43 116.25 117.86 1uc3 h VAL 118 Ca 0.05 -1.41 -0.13 0.00 0.82 0.00 0.00 66.70 66.03 1uc3 h VAL 118 Cb 0.58 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1uc3 h VAL 118 CO 0.04 0.48 -0.57 0.25 0.02 0.00 0.00 177.57 177.79 1uc3 h LEU 119 N 0.75 0.18 -1.05 2.57 5.85 -1.09 -2.78 115.31 119.74 1uc3 h LEU 119 Ca 0.09 -0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 1uc3 h LEU 119 Cb 0.82 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1uc3 h LEU 119 CO 0.07 0.71 -0.28 0.00 -0.34 0.00 0.00 178.44 178.60 1uc3 h ALA 120 N 1.30 1.20 -0.45 1.25 0.00 -0.79 -2.45 119.26 119.32 1uc3 h ALA 120 Ca -0.00 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 1uc3 h ALA 120 Cb 1.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1uc3 h ALA 120 CO 0.08 0.52 -0.10 0.00 0.00 0.00 0.00 179.25 179.76 1uc3 h ALA 121 N 1.41 0.62 -0.60 0.00 0.00 -0.87 -0.69 119.26 119.14 1uc3 h ALA 121 Ca 0.04 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.64 1uc3 h ALA 121 Cb 0.65 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1uc3 h ALA 121 CO 0.05 0.50 0.40 0.28 0.00 0.00 0.00 179.25 180.48 1uc3 h VAL 122 N 0.70 1.12 -0.15 0.00 2.07 -1.20 0.24 116.25 119.03 1uc3 h VAL 122 Ca 0.12 -0.26 -0.19 0.00 0.82 0.00 0.00 66.70 67.18 1uc3 h VAL 122 Cb 0.63 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1uc3 h VAL 122 CO 0.04 0.14 -0.69 0.40 0.02 0.00 0.00 177.57 177.48 1uc3 h ILE 123 N 0.77 1.32 -0.19 4.57 2.04 -1.11 -2.80 117.51 122.10 1uc3 h ILE 123 Ca 0.23 -1.97 -0.01 0.00 1.00 0.00 0.00 64.86 64.11 1uc3 h ILE 123 Cb -0.02 1.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1uc3 h ILE 123 CO -0.06 0.61 0.07 0.00 0.00 0.00 0.00 178.15 178.78 1uc3 h ALA 124 N 0.77 0.25 0.00 1.87 0.00 0.23 -0.54 119.26 121.84 1uc3 h ALA 124 Ca -0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1uc3 h ALA 124 Cb 1.29 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1uc3 h ALA 124 CO 0.13 -0.15 -0.11 0.22 0.00 0.00 0.00 179.25 179.34 1uc3 h ASP 125 N 0.15 0.00 0.28 0.00 3.58 -1.06 -0.11 116.42 119.26 1uc3 h ASP 125 Ca 0.06 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.18 1uc3 h ASP 125 Cb 0.19 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 1uc3 h ASP 125 CO -0.00 0.11 -1.77 0.74 -2.88 0.00 0.00 179.24 175.44 1uc3 h THR 126 N 0.00 0.88 0.04 2.25 2.02 -1.20 -3.35 112.91 113.56 1uc3 h THR 126 Ca -0.00 -2.56 -0.17 0.00 0.77 0.00 0.00 66.41 64.45 1uc3 h THR 126 Cb 0.40 2.64 -0.01 0.00 -1.74 0.00 0.00 68.15 69.43 1uc3 h THR 126 CO 0.01 0.82 -0.90 0.58 0.37 0.00 0.00 175.52 176.40 1uc3 h VAL 127 N 0.07 1.24 -0.99 3.16 2.07 -1.02 -3.46 116.25 117.33 1uc3 h VAL 127 Ca -0.34 -2.31 -0.15 0.00 0.82 0.00 0.00 66.70 64.73 1uc3 h VAL 127 Cb 2.05 2.76 -0.16 0.00 -1.52 0.00 0.00 31.29 34.41 1uc3 h VAL 127 CO 0.13 0.53 -0.48 0.00 0.02 0.00 0.00 177.57 177.77 1uc3 s ALA 128 N -2.35 -2.15 0.05 1.67 0.00 -0.10 -4.83 121.76 114.05 1uc3 s ALA 128 Ca -0.23 -0.39 -0.36 0.00 0.00 0.00 0.00 51.96 50.98 1uc3 s ALA 128 Cb 0.03 -2.72 -0.16 0.00 0.00 0.00 0.00 23.12 20.27 1uc3 s ALA 128 CO 0.68 -2.24 1.49 0.00 0.00 0.00 0.00 175.76 175.68 1uc3 n ALA 129 N 2.98 -0.15 0.00 0.00 0.00 -0.95 -1.90 120.51 120.48 1uc3 n ALA 129 Ca 0.18 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1uc3 n ALA 129 Cb 0.56 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.82 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 3.08 3.05 3.59 0.00 0.00 -1.26 -4.98 105.19 108.67 1uc3 n GLY 130 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.15 5.34 0.32 1.61 2.15 -0.80 -4.83 116.67 119.30 1uc3 s ASP 131 Ca 0.00 1.70 0.06 0.00 0.43 0.00 0.00 52.55 54.73 1uc3 s ASP 131 Cb 0.00 -2.51 0.71 0.00 -0.30 0.00 0.00 42.92 40.82 1uc3 s ASP 131 CO 0.00 -2.08 1.83 0.00 -0.17 0.00 0.00 175.17 174.75 1uc3 h ALA 132 N 15.55 1.69 0.52 3.66 0.00 -1.93 -1.37 119.26 137.37 1uc3 h ALA 132 Ca -0.38 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1uc3 h ALA 132 Cb 1.24 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1uc3 h ALA 132 CO 1.00 0.03 -0.37 0.78 0.00 0.00 0.00 179.25 180.69 1uc3 h GLY 133 N 0.82 -0.96 0.98 0.00 0.00 -1.93 -0.69 103.07 101.30 1uc3 h GLY 133 Ca 0.50 0.42 0.01 0.00 0.00 0.00 0.00 47.33 48.26 1uc3 h GLY 133 CO -0.27 -0.34 0.44 -2.75 0.00 0.00 0.00 176.54 173.62 1uc3 h PHE 134 N -0.87 0.82 -0.98 5.60 3.57 -1.78 -1.37 116.94 121.94 1uc3 h PHE 134 Ca -0.06 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.58 1uc3 h PHE 134 Cb 0.73 -0.28 -0.08 0.00 2.79 0.00 0.00 35.95 39.11 1uc3 h PHE 134 CO -0.14 0.51 0.62 0.93 -2.23 0.00 0.00 178.31 178.00 1uc3 h GLU 135 N 0.88 0.93 -0.56 1.11 4.39 -1.06 -0.37 114.58 119.90 1uc3 h GLU 135 Ca 0.25 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.89 1uc3 h GLU 135 Cb -0.08 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.33 1uc3 h GLU 135 CO -0.06 0.61 0.33 -0.22 -1.16 0.00 0.00 179.01 178.51 1uc3 h LYS 136 N 0.96 0.76 -0.83 2.33 3.64 0.00 -0.23 116.57 123.19 1uc3 h LYS 136 Ca 0.49 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.78 1uc3 h LYS 136 Cb 0.51 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.13 1uc3 h LYS 136 CO -0.25 0.55 0.45 1.25 -2.27 0.00 0.00 179.45 179.18 1uc3 h LEU 137 N 0.75 1.05 -0.64 5.20 6.46 -0.72 0.11 115.31 127.52 1uc3 h LEU 137 Ca 0.20 -0.10 -0.04 0.00 -0.12 0.00 0.00 57.88 57.82 1uc3 h LEU 137 Cb -0.01 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 39.63 1uc3 h LEU 137 CO -0.04 0.85 0.24 0.24 -0.62 0.00 0.00 178.44 179.12 1uc3 h MET 138 N 1.16 0.96 -0.20 1.25 2.86 -0.70 -0.73 114.93 119.54 1uc3 h MET 138 Ca 0.29 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1uc3 h MET 138 Cb 0.04 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 1uc3 h MET 138 CO -0.05 0.82 0.13 0.77 1.06 0.00 0.00 176.91 179.64 1uc3 h SER 139 N 0.90 0.22 -0.56 1.22 0.02 -0.28 -0.41 113.55 114.65 1uc3 h SER 139 Ca 0.21 -0.00 0.09 0.00 -0.84 0.00 0.00 61.79 61.25 1uc3 h SER 139 Cb 0.22 -0.05 -0.07 0.00 0.14 0.00 0.00 62.40 62.64 1uc3 h SER 139 CO -0.02 0.16 0.18 0.24 -1.14 0.00 0.00 176.83 176.25 1uc3 h MET 140 N 0.26 0.33 -0.45 3.45 2.07 -0.32 -0.30 114.93 119.97 1uc3 h MET 140 Ca 0.07 -0.02 -0.08 0.00 -2.07 0.00 0.00 59.70 57.60 1uc3 h MET 140 Cb -0.03 -0.07 -0.02 0.00 -1.87 0.00 0.00 31.60 29.61 1uc3 h MET 140 CO -0.02 0.22 -0.04 0.82 1.07 0.00 0.00 176.91 178.96 1uc3 h ILE 141 N 0.34 1.27 -0.39 -1.22 2.04 -0.81 -2.08 117.51 116.65 1uc3 h ILE 141 Ca 0.28 -1.12 -0.07 0.00 1.00 0.00 0.00 64.86 64.96 1uc3 h ILE 141 Cb 0.36 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1uc3 h ILE 141 CO -0.31 0.38 -0.02 0.00 0.00 0.00 0.00 178.15 178.21 1uc3 h ILE 143 N 0.53 1.08 -0.39 0.00 2.04 -1.04 -1.22 117.51 118.51 1uc3 h ILE 143 Ca 0.11 -0.35 -0.15 0.00 1.00 0.00 0.00 64.86 65.47 1uc3 h ILE 143 Cb 0.50 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1uc3 h ILE 143 CO 0.02 0.19 -0.35 -0.07 0.00 0.00 0.00 178.15 177.94 1uc3 h LEU 144 N 1.02 0.96 -1.94 1.44 3.38 -0.97 -2.74 115.31 116.45 1uc3 h LEU 144 Ca 0.36 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1uc3 h LEU 144 Cb 0.10 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1uc3 h LEU 144 CO -0.15 1.21 -0.03 -0.07 0.09 0.00 0.00 178.44 179.49 1uc3 h LEU 145 N 0.75 0.00 -1.93 1.67 3.38 0.59 -2.38 115.31 117.40 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 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1uc3 h LEU 145 CO 0.09 0.03 0.00 0.54 0.09 0.00 0.00 178.44 179.18 1uc3 n ARG 146 N -3.17 2.32 0.27 1.13 1.74 -0.53 -4.44 116.66 113.97 1uc3 n ARG 146 Ca -0.01 -1.92 0.13 0.00 -0.77 0.00 0.00 57.85 55.28 1uc3 n ARG 146 Cb 0.24 -1.47 0.77 0.00 -1.02 0.00 0.00 32.46 30.98 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 4.55 0.00 0.21 0.55 4.64 -1.13 -1.83 113.55 120.53 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 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1uc3 h SER 147 CO 0.00 0.07 -0.12 0.00 -0.87 0.00 0.00 176.83 175.91 1uc3 n ALA 148 N -2.34 2.81 1.70 5.18 0.00 -1.26 -5.08 120.51 121.53 1uc3 n ALA 148 Ca -0.02 -0.35 0.15 0.00 0.00 0.00 0.00 53.44 53.22 1uc3 n ALA 148 Cb 0.17 -1.24 0.70 0.00 0.00 0.00 0.00 19.45 19.07 1uc3 n ALA 148 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16