#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 5.11 0.45 0.52 1.01 -1.26 -4.80 121.20 122.23 1uc3 s ILE 2 Ca 0.00 1.11 0.04 0.00 0.00 0.00 0.00 60.65 61.80 1uc3 s ILE 2 Cb 0.00 -3.88 -0.05 0.00 0.01 0.00 0.00 42.46 38.54 1uc3 s ILE 2 CO 0.00 0.33 0.01 0.68 0.00 0.00 0.00 174.94 175.96 1uc3 s VAL 3 N 0.51 1.55 0.00 2.92 -7.23 -1.26 -5.02 120.40 111.87 1uc3 s VAL 3 Ca 0.29 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.55 1uc3 s VAL 3 Cb -0.16 -2.60 0.14 0.00 0.56 0.00 0.00 36.38 34.32 1uc3 s VAL 3 CO 0.13 0.00 1.05 -0.90 -0.31 0.00 0.00 175.10 175.07 1uc3 n ASP 4 N -1.10 0.32 -3.65 4.85 5.68 -1.26 -4.38 116.55 117.02 1uc3 n ASP 4 Ca -0.11 -1.99 -0.10 0.00 -0.50 0.00 0.00 54.79 52.09 1uc3 n ASP 4 Cb 0.67 -0.23 -0.03 0.00 -1.14 0.00 0.00 41.12 40.39 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 -1.32 -0.35 0.75 -1.12 1.04 -1.26 -4.19 113.70 107.25 1uc3 s SER 5 Ca 0.11 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.21 1uc3 s SER 5 Cb 0.13 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.84 1uc3 s SER 5 CO -0.06 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 173.73 1uc3 n GLY 6 N -0.35 1.59 3.60 7.32 0.00 -1.26 -4.90 105.19 111.18 1uc3 n GLY 6 Ca -0.12 -0.50 -0.06 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.21 0.05 1.61 0.15 -1.26 -5.11 113.70 104.93 1uc3 s SER 7 Ca 0.00 0.16 0.05 0.00 0.70 0.00 0.00 55.95 56.86 1uc3 s SER 7 Cb 0.00 0.19 -0.02 0.00 -1.71 0.00 0.00 66.02 64.47 1uc3 s SER 7 CO 0.00 -0.24 -0.15 0.68 1.20 0.00 0.00 173.24 174.73 1uc3 s VAL 8 N -1.57 1.18 0.59 4.45 -7.23 -1.26 -5.13 120.40 111.44 1uc3 s VAL 8 Ca 0.05 -1.13 -0.20 0.00 -1.81 0.00 0.00 61.98 58.89 1uc3 s VAL 8 Cb -0.01 -1.09 -0.04 0.00 0.56 0.00 0.00 36.38 35.81 1uc3 s VAL 8 CO -0.04 -0.05 1.27 0.00 -0.31 0.00 0.00 175.10 175.96 1uc3 n ALA 9 N 1.67 1.17 -0.97 1.32 0.00 -1.26 -4.93 120.51 117.50 1uc3 n ALA 9 Ca -0.19 0.07 -0.34 0.00 0.00 0.00 0.00 53.44 52.97 1uc3 n ALA 9 Cb 0.54 -2.30 0.09 0.00 0.00 0.00 0.00 19.45 17.79 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 -1.31 -0.07 -2.71 0.00 -0.02 -1.26 -4.90 135.00 124.73 1uc3 n PRO 10 Ca 0.13 0.02 -0.41 0.00 -2.02 0.00 0.00 63.50 61.22 1uc3 n PRO 10 Cb 0.46 -1.74 -0.04 0.00 -0.02 0.00 0.00 33.50 32.16 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 0.25 4.44 0.58 2.45 1.43 -1.26 -5.03 118.68 121.54 1uc3 s LEU 11 Ca 0.58 1.74 -0.14 0.00 -1.03 0.00 0.00 54.13 55.28 1uc3 s LEU 11 Cb -0.26 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.34 1uc3 s LEU 11 CO 0.66 -0.16 1.02 -0.94 0.23 0.00 0.00 176.35 177.16 1uc3 s SER 12 N 0.46 6.17 0.25 2.29 1.04 -1.26 -4.88 113.70 117.76 1uc3 s SER 12 Ca 0.49 1.59 -0.04 0.00 0.48 0.00 0.00 55.95 58.48 1uc3 s SER 12 Cb -0.22 -2.50 0.41 0.00 0.10 0.00 0.00 66.02 63.81 1uc3 s SER 12 CO 0.29 -0.90 1.82 0.00 0.98 0.00 0.00 173.24 175.43 1uc3 h ALA 13 N 0.27 1.23 -0.61 5.32 0.00 -2.00 -1.05 119.26 122.43 1uc3 h ALA 13 Ca -0.46 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1uc3 h ALA 13 Cb 1.20 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1uc3 h ALA 13 CO 0.60 0.14 0.26 0.00 0.00 0.00 0.00 179.25 180.26 1uc3 h ALA 14 N 1.46 0.78 -0.67 0.00 0.00 -2.00 -2.20 119.26 116.63 1uc3 h ALA 14 Ca 0.41 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1uc3 h ALA 14 Cb 0.36 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1uc3 h ALA 14 CO -0.24 0.38 0.26 0.93 0.00 0.00 0.00 179.25 180.57 1uc3 h GLU 15 N 0.84 1.02 0.43 0.00 5.08 -1.72 -1.71 114.58 118.51 1uc3 h GLU 15 Ca 0.20 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1uc3 h GLU 15 Cb 0.17 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1uc3 h GLU 15 CO -0.02 0.86 -0.34 0.87 -1.00 0.00 0.00 179.01 179.38 1uc3 h LYS 16 N 0.96 -0.73 -0.68 2.33 1.57 -0.92 0.11 116.57 119.20 1uc3 h LYS 16 Ca 0.22 0.05 0.10 0.00 -1.87 0.00 0.00 60.65 59.15 1uc3 h LYS 16 Cb 0.23 0.17 -0.07 0.00 0.08 0.00 0.00 32.23 32.63 1uc3 h LYS 16 CO -0.02 -0.49 0.31 1.15 -0.57 0.00 0.00 179.45 179.84 1uc3 h THR 17 N -0.76 0.81 -0.14 -0.16 2.02 -1.32 0.30 112.91 113.65 1uc3 h THR 17 Ca -0.04 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1uc3 h THR 17 Cb 0.65 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 1uc3 h THR 17 CO -0.00 0.10 0.09 0.50 0.37 0.00 0.00 175.52 176.57 1uc3 h LYS 18 N 0.53 0.19 -0.31 6.66 3.11 -0.99 -1.11 116.57 124.65 1uc3 h LYS 18 Ca 0.34 -0.02 0.01 0.00 -2.81 0.00 0.00 60.65 58.18 1uc3 h LYS 18 Cb 0.40 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.57 1uc3 h LYS 18 CO -0.29 0.15 0.20 0.82 -2.81 0.00 0.00 179.45 177.52 1uc3 h ILE 19 N 0.17 1.06 -0.37 2.00 2.04 0.23 0.17 117.51 122.82 1uc3 h ILE 19 Ca 0.05 -0.14 0.04 0.00 1.00 0.00 0.00 64.86 65.82 1uc3 h ILE 19 Cb 0.01 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 1uc3 h ILE 19 CO -0.01 0.07 0.12 0.03 0.00 0.00 0.00 178.15 178.37 1uc3 h ARG 20 N 0.40 0.27 -0.12 2.37 3.08 -0.17 0.20 114.38 120.41 1uc3 h ARG 20 Ca 0.12 -0.02 -0.18 0.00 0.07 0.00 0.00 59.98 59.97 1uc3 h ARG 20 Cb -0.03 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 1uc3 h ARG 20 CO -0.04 0.18 -0.69 0.66 -1.07 0.00 0.00 179.97 179.01 1uc3 h SER 21 N 0.27 0.59 1.00 7.04 4.64 -0.96 -2.60 113.55 123.53 1uc3 h SER 21 Ca 0.17 -0.37 -0.07 0.00 -0.47 0.00 0.00 61.79 61.05 1uc3 h SER 21 Cb 0.15 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1uc3 h SER 21 CO -0.18 1.11 -0.35 0.00 -0.87 0.00 0.00 176.83 176.54 1uc3 h ALA 22 N 0.89 0.94 0.13 5.18 0.00 -0.39 -3.19 119.26 122.81 1uc3 h ALA 22 Ca -0.02 -0.32 -0.28 0.00 0.00 0.00 0.00 54.91 54.29 1uc3 h ALA 22 Cb 1.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1uc3 h ALA 22 CO 0.13 0.44 -1.26 2.35 0.00 0.00 0.00 179.25 180.91 1uc3 h TRP 23 N 0.00 0.49 -0.77 0.00 2.91 -0.55 -3.38 115.95 114.66 1uc3 h TRP 23 Ca -0.00 -0.36 0.12 0.00 1.13 0.00 0.00 58.89 59.77 1uc3 h TRP 23 Cb 0.95 -0.02 -0.13 0.00 -0.51 0.00 0.00 29.16 29.45 1uc3 h TRP 23 CO 0.00 1.29 -0.40 0.00 -1.03 0.00 0.00 178.44 178.30 1uc3 h ALA 24 N 0.57 -0.07 -0.50 2.65 0.00 -1.45 -0.70 119.26 119.76 1uc3 h ALA 24 Ca -0.14 0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1uc3 h ALA 24 Cb 1.98 0.96 -0.05 0.00 0.00 0.00 0.00 17.79 20.68 1uc3 h ALA 24 CO 0.20 -0.72 0.23 -1.35 0.00 0.00 0.00 179.25 177.62 1uc3 h PRO 25 N -0.11 0.44 -0.18 0.00 0.11 -1.74 -0.55 132.00 129.96 1uc3 h PRO 25 Ca 0.26 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.33 1uc3 h PRO 25 Cb 0.56 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 1uc3 h PRO 25 CO -0.82 0.29 0.07 0.28 -0.21 0.00 0.00 178.00 177.61 1uc3 h VAL 26 N 0.45 1.17 -0.44 3.15 2.07 -1.55 -3.25 116.25 117.84 1uc3 h VAL 26 Ca 0.23 -0.51 -0.14 0.00 0.82 0.00 0.00 66.70 67.11 1uc3 h VAL 26 Cb 0.18 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1uc3 h VAL 26 CO -0.19 0.16 -0.26 0.22 0.02 0.00 0.00 177.57 177.53 1uc3 h TYR 27 N 0.13 1.09 0.00 1.57 5.03 -0.88 -1.87 116.97 122.04 1uc3 h TYR 27 Ca 0.06 -0.28 0.00 0.00 2.58 0.00 0.00 58.73 61.09 1uc3 h TYR 27 Cb 0.19 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 38.22 1uc3 h TYR 27 CO -0.01 1.08 0.04 0.66 -1.32 0.00 0.00 178.16 178.61 1uc3 h SER 28 N 0.80 0.00 -0.42 -2.11 4.64 -1.15 0.22 113.55 115.53 1uc3 h SER 28 Ca 0.10 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.10 1uc3 h SER 28 Cb 0.83 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.60 1uc3 h SER 28 CO 0.07 0.00 -0.83 -3.20 -0.87 0.00 0.00 176.83 172.00 1uc3 n ASN 29 N -2.82 3.04 0.14 4.97 4.05 -1.05 -4.90 115.26 118.68 1uc3 n ASN 29 Ca -0.02 -3.24 0.14 0.00 0.45 0.00 0.00 54.58 51.90 1uc3 n ASN 29 Cb 0.09 -0.41 0.67 0.00 1.23 0.00 0.00 39.78 41.37 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 1.85 0.00 -0.44 1.20 -0.00 0.27 0.08 116.97 119.93 1uc3 h TYR 30 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.81 1uc3 h TYR 30 Cb 1.39 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 38.11 1uc3 h TYR 30 CO 0.68 0.00 0.14 0.93 -0.00 0.00 0.00 178.16 179.91 1uc3 h GLU 31 N 0.00 0.68 0.04 0.10 3.07 -1.87 0.39 114.58 116.99 1uc3 h GLU 31 Ca 0.12 -0.14 -0.10 0.00 -0.50 0.00 0.00 59.36 58.74 1uc3 h GLU 31 Cb 0.49 -0.10 0.01 0.00 -0.84 0.00 0.00 28.75 28.31 1uc3 h GLU 31 CO -0.00 0.66 -0.42 1.15 -1.40 0.00 0.00 179.01 179.00 1uc3 h THR 32 N 0.57 1.58 0.17 1.13 2.02 -1.83 -3.02 112.91 113.53 1uc3 h THR 32 Ca 0.14 -2.24 0.01 0.00 0.77 0.00 0.00 66.41 65.09 1uc3 h THR 32 Cb 0.26 3.02 -0.04 0.00 -1.74 0.00 0.00 68.15 69.65 1uc3 h THR 32 CO -0.01 0.62 -0.50 0.28 0.37 0.00 0.00 175.52 176.29 1uc3 h SER 33 N -0.52 -1.47 -0.94 4.18 0.02 -0.96 -0.51 113.55 113.35 1uc3 h SER 33 Ca -0.06 0.15 0.13 0.00 -0.84 0.00 0.00 61.79 61.16 1uc3 h SER 33 Cb 1.24 0.53 -0.09 0.00 0.14 0.00 0.00 62.40 64.23 1uc3 h SER 33 CO 0.08 -0.54 0.56 1.23 -1.14 0.00 0.00 176.83 177.02 1uc3 h GLY 34 N -0.75 1.54 0.80 -3.77 0.00 -0.36 -1.05 103.07 99.49 1uc3 h GLY 34 Ca -0.02 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 1uc3 h GLY 34 CO -0.24 0.08 0.02 -2.08 0.00 0.00 0.00 176.54 174.32 1uc3 h VAL 35 N 0.85 1.18 -0.95 4.60 2.07 -1.33 -1.16 116.25 121.51 1uc3 h VAL 35 Ca 0.48 -0.55 0.04 0.00 0.82 0.00 0.00 66.70 67.49 1uc3 h VAL 35 Cb 0.55 1.45 -0.06 0.00 -1.52 0.00 0.00 31.29 31.71 1uc3 h VAL 35 CO -0.30 0.15 0.62 0.44 0.02 0.00 0.00 177.57 178.51 1uc3 h ASP 36 N -0.12 1.02 -0.21 0.57 3.32 -0.51 -0.77 116.42 119.73 1uc3 h ASP 36 Ca 0.02 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 1uc3 h ASP 36 Cb 0.23 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1uc3 h ASP 36 CO -0.00 0.70 -0.04 0.40 -1.72 0.00 0.00 179.24 178.58 1uc3 h ILE 37 N 1.18 1.28 -0.54 0.35 2.04 -1.06 -2.10 117.51 118.65 1uc3 h ILE 37 Ca 0.38 -0.99 -0.10 0.00 1.00 0.00 0.00 64.86 65.15 1uc3 h ILE 37 Cb 0.03 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 1uc3 h ILE 37 CO -0.12 0.30 -0.06 0.25 0.00 0.00 0.00 178.15 178.52 1uc3 h LEU 38 N 0.13 0.99 -0.85 1.44 5.85 -0.91 -2.16 115.31 119.79 1uc3 h LEU 38 Ca 0.05 -0.33 -0.10 0.00 0.84 0.00 0.00 57.88 58.34 1uc3 h LEU 38 Cb 0.47 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1uc3 h LEU 38 CO 0.02 1.09 -0.26 0.58 -0.34 0.00 0.00 178.44 179.53 1uc3 h VAL 39 N 0.88 1.27 -0.41 1.05 2.07 -1.16 0.14 116.25 120.08 1uc3 h VAL 39 Ca 0.15 -1.31 -0.13 0.00 0.82 0.00 0.00 66.70 66.22 1uc3 h VAL 39 Cb 0.62 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1uc3 h VAL 39 CO 0.04 0.42 -0.25 0.50 0.02 0.00 0.00 177.57 178.30 1uc3 h LYS 40 N 0.49 0.90 -0.53 1.57 3.64 -1.30 -1.62 116.57 119.71 1uc3 h LYS 40 Ca 0.07 -0.42 -0.08 0.00 -1.27 0.00 0.00 60.65 58.96 1uc3 h LYS 40 Cb 0.71 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 1uc3 h LYS 40 CO 0.05 1.07 0.03 0.35 -2.27 0.00 0.00 179.45 178.68 1uc3 h PHE 41 N 0.72 0.99 0.88 1.91 3.57 -1.13 -2.43 116.94 121.45 1uc3 h PHE 41 Ca 0.09 -0.16 -0.04 0.00 3.53 0.00 0.00 57.97 61.38 1uc3 h PHE 41 Cb 0.83 -0.26 0.01 0.00 2.79 0.00 0.00 35.95 39.31 1uc3 h PHE 41 CO 0.06 0.90 -0.42 0.35 -2.23 0.00 0.00 178.31 176.97 1uc3 h PHE 42 N 0.79 -1.09 0.00 0.41 3.57 -0.57 -2.35 116.94 117.70 1uc3 h PHE 42 Ca 0.15 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1uc3 h PHE 42 Cb 0.48 0.36 -0.00 0.00 2.79 0.00 0.00 35.95 39.58 1uc3 h PHE 42 CO 0.04 -0.68 -0.07 1.79 -2.23 0.00 0.00 178.31 177.16 1uc3 h THR 43 N -1.28 0.37 -0.01 4.41 1.35 -1.38 -2.75 112.91 113.62 1uc3 h THR 43 Ca -0.12 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1uc3 h THR 43 Cb 0.90 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 1uc3 h THR 43 CO 0.20 0.06 -0.45 -1.54 -0.25 0.00 0.00 175.52 173.55 1uc3 n SER 44 N -3.48 1.34 -3.29 5.36 3.41 -0.91 -4.53 113.62 111.51 1uc3 n SER 44 Ca -0.02 -1.07 -0.25 0.00 -0.26 0.00 0.00 58.87 57.27 1uc3 n SER 44 Cb 0.19 0.37 -0.07 0.00 -0.26 0.00 0.00 64.21 64.44 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 -0.60 0.87 -0.33 6.66 -1.04 -0.89 -4.98 114.28 113.98 1uc3 n THR 45 Ca 0.09 -4.64 0.26 0.00 -2.04 0.00 0.00 64.05 57.72 1uc3 n THR 45 Cb 0.39 -1.97 0.50 0.00 -1.82 0.00 0.00 70.33 67.44 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 4.03 0.15 -0.14 -2.82 0.11 -1.80 -1.70 132.00 129.83 1uc3 h PRO 46 Ca 0.13 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1uc3 h PRO 46 Cb 0.77 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.84 1uc3 h PRO 46 CO 0.65 0.10 0.09 0.00 -0.21 0.00 0.00 178.00 178.63 1uc3 h ALA 47 N 1.92 0.18 0.00 -0.75 0.00 -1.93 -2.67 119.26 116.01 1uc3 h ALA 47 Ca 0.77 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.65 1uc3 h ALA 47 Cb 1.87 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1uc3 h ALA 47 CO -0.70 -0.32 0.00 0.00 0.00 0.00 0.00 179.25 178.23 1uc3 n ALA 48 N -2.14 1.63 -0.15 0.00 0.00 -0.64 -3.57 120.51 115.64 1uc3 n ALA 48 Ca -0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 53.44 53.32 1uc3 n ALA 48 Cb 0.04 -1.19 0.18 0.00 0.00 0.00 0.00 19.45 18.49 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 0.87 -0.03 0.00 4.20 -1.49 -2.54 115.11 116.12 1uc3 h GLN 49 Ca 0.00 -0.17 0.01 0.00 0.06 0.00 0.00 58.65 58.55 1uc3 h GLN 49 Cb 0.14 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 1uc3 h GLN 49 CO 0.00 0.76 0.05 1.05 -0.67 0.00 0.00 178.83 180.02 1uc3 h GLU 50 N 0.84 0.00 -0.15 1.46 4.11 -1.77 -1.36 114.58 117.71 1uc3 h GLU 50 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.62 1uc3 h GLU 50 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1uc3 h GLU 50 CO -0.01 0.00 0.00 1.19 0.07 0.00 0.00 179.01 180.26 1uc3 n PHE 51 N -3.53 0.00 -3.18 2.06 3.72 -0.96 -3.75 117.46 111.82 1uc3 n PHE 51 Ca -0.02 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.13 1uc3 n PHE 51 Cb 0.13 -0.02 -0.06 0.00 -0.94 0.00 0.00 39.48 38.60 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 -0.42 2.17 -0.35 1.38 3.01 -0.51 -4.98 117.46 117.77 1uc3 n PHE 52 Ca 0.00 -3.91 0.11 0.00 1.01 0.00 0.00 57.45 54.66 1uc3 n PHE 52 Cb 0.04 -0.47 0.22 0.00 -0.01 0.00 0.00 39.48 39.27 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 0.53 -0.08 0.11 -1.08 -0.02 -1.25 0.37 135.00 133.58 1uc3 n PRO 53 Ca 0.27 1.52 0.09 0.00 -2.02 0.00 0.00 63.50 63.37 1uc3 n PRO 53 Cb 0.48 -2.35 0.44 0.00 -0.02 0.00 0.00 33.50 32.05 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 -5.55 0.12 -0.88 -0.52 5.02 -1.26 -1.79 118.16 113.31 1uc3 n LYS 54 Ca 0.20 0.50 -0.00 0.00 -2.02 0.00 0.00 58.31 56.99 1uc3 n LYS 54 Cb 0.65 -1.81 0.32 0.00 -0.02 0.00 0.00 35.03 34.17 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 -2.05 2.08 -1.69 2.13 3.01 0.16 -4.98 117.46 116.11 1uc3 n PHE 55 Ca 0.01 -0.90 -0.42 0.00 1.01 0.00 0.00 57.45 57.15 1uc3 n PHE 55 Cb 0.11 -0.57 -0.03 0.00 -0.01 0.00 0.00 39.48 38.98 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 0.20 2.82 0.00 -1.08 3.00 -0.74 -2.99 118.16 119.38 1uc3 n LYS 56 Ca 0.32 1.03 0.00 0.00 -0.00 0.00 0.00 58.31 59.65 1uc3 n LYS 56 Cb 1.21 -2.93 0.00 0.00 0.00 0.00 0.00 35.03 33.31 1uc3 n LYS 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1uc3 n GLY 57 N 4.26 2.81 3.76 3.14 0.00 -1.26 -5.03 105.19 112.88 1uc3 n GLY 57 Ca 0.18 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 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 4.14 0.00 1.61 -1.94 -1.16 -4.86 119.30 117.09 1uc3 s MET 58 Ca 0.00 2.54 0.00 0.00 -1.71 0.00 0.00 55.69 56.52 1uc3 s MET 58 Cb 0.00 -3.01 0.00 0.00 2.01 0.00 0.00 34.83 33.83 1uc3 s MET 58 CO 0.00 -0.57 0.00 0.25 -0.01 0.00 0.00 175.02 174.69 1uc3 n THR 59 N 1.60 0.00 -2.63 2.05 -2.24 -1.26 -5.01 114.28 106.79 1uc3 n THR 59 Ca 0.05 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.42 1uc3 n THR 59 Cb 0.38 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.57 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 -1.48 7.40 0.32 3.42 1.04 -1.26 -4.71 113.70 118.43 1uc3 s SER 60 Ca 0.00 1.93 0.09 0.00 0.48 0.00 0.00 55.95 58.45 1uc3 s SER 60 Cb 0.00 -2.60 0.86 0.00 0.10 0.00 0.00 66.02 64.38 1uc3 s SER 60 CO 0.00 -0.13 1.75 0.00 0.98 0.00 0.00 173.24 175.84 1uc3 h ALA 61 N 5.36 1.80 -0.09 5.32 0.00 -1.98 -2.13 119.26 127.54 1uc3 h ALA 61 Ca -0.43 0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.59 1uc3 h ALA 61 Cb 1.21 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1uc3 h ALA 61 CO 0.72 -0.23 -0.30 -0.44 0.00 0.00 0.00 179.25 179.00 1uc3 h ASP 62 N 0.63 -0.97 -0.15 0.00 5.19 -2.00 0.11 116.42 119.23 1uc3 h ASP 62 Ca 0.61 0.12 0.03 0.00 -0.62 0.00 0.00 57.03 57.16 1uc3 h ASP 62 Cb 1.13 0.38 -0.03 0.00 0.18 0.00 0.00 39.33 41.00 1uc3 h ASP 62 CO -0.42 -0.26 -0.02 1.56 -3.12 0.00 0.00 179.24 176.98 1uc3 h GLN 63 N -0.31 0.03 0.13 3.56 4.20 -1.85 -2.91 115.11 117.96 1uc3 h GLN 63 Ca 0.02 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.74 1uc3 h GLN 63 Cb 0.37 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.10 1uc3 h GLN 63 CO -0.25 0.02 -0.48 -0.07 -0.67 0.00 0.00 178.83 177.38 1uc3 h LEU 64 N 0.03 -1.42 -2.17 1.46 3.38 -1.07 -1.20 115.31 114.32 1uc3 h LEU 64 Ca 0.07 0.15 0.07 0.00 0.09 0.00 0.00 57.88 58.26 1uc3 h LEU 64 Cb 0.10 0.53 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1uc3 h LEU 64 CO -0.13 -0.53 0.27 0.11 0.09 0.00 0.00 178.44 178.24 1uc3 h LYS 65 N -0.72 0.00 -0.01 1.13 1.57 -0.76 0.48 116.57 118.25 1uc3 h LYS 65 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1uc3 h LYS 65 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1uc3 h LYS 65 CO -0.26 0.00 -0.03 1.63 -0.57 0.00 0.00 179.45 180.22 1uc3 n LYS 66 N -3.71 1.59 -3.07 3.15 5.02 -0.53 -4.86 118.16 115.75 1uc3 n LYS 66 Ca 0.03 -0.93 -0.40 0.00 -2.02 0.00 0.00 58.31 54.99 1uc3 n LYS 66 Cb 0.40 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.88 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 -2.05 7.04 0.25 4.39 0.15 0.17 -4.95 113.70 118.70 1uc3 s SER 67 Ca 0.36 1.24 0.09 0.00 0.70 0.00 0.00 55.95 58.35 1uc3 s SER 67 Cb 0.21 -2.41 0.29 0.00 -1.71 0.00 0.00 66.02 62.39 1uc3 s SER 67 CO 0.35 -0.03 1.57 0.00 1.20 0.00 0.00 173.24 176.33 1uc3 h ALA 68 N 6.25 0.90 -0.28 5.45 0.00 -1.89 -1.59 119.26 128.10 1uc3 h ALA 68 Ca -0.43 -0.59 -0.14 0.00 0.00 0.00 0.00 54.91 53.76 1uc3 h ALA 68 Cb 1.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1uc3 h ALA 68 CO 0.73 0.80 -0.40 -0.44 0.00 0.00 0.00 179.25 179.94 1uc3 h ASP 69 N 0.03 0.70 -0.23 0.00 3.32 -1.93 -0.73 116.42 117.58 1uc3 h ASP 69 Ca -0.01 -0.31 -0.08 0.00 0.02 0.00 0.00 57.03 56.65 1uc3 h ASP 69 Cb 1.15 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.50 1uc3 h ASP 69 CO 0.09 1.01 -0.17 0.58 -1.72 0.00 0.00 179.24 179.03 1uc3 h VAL 70 N 0.54 1.31 -0.45 -1.35 2.07 -1.80 -2.36 116.25 114.21 1uc3 h VAL 70 Ca 0.05 -1.29 0.01 0.00 0.82 0.00 0.00 66.70 66.28 1uc3 h VAL 70 Cb 0.92 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 1uc3 h VAL 70 CO 0.08 0.40 0.29 0.03 0.02 0.00 0.00 177.57 178.39 1uc3 h ARG 71 N 0.22 0.58 -0.34 1.57 3.08 -1.16 0.18 114.38 118.52 1uc3 h ARG 71 Ca 0.04 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1uc3 h ARG 71 Cb 0.70 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 1uc3 h ARG 71 CO 0.04 0.38 0.15 2.35 -1.07 0.00 0.00 179.97 181.82 1uc3 h TRP 72 N 0.60 0.50 -0.15 3.04 -0.00 -1.15 0.17 115.95 118.96 1uc3 h TRP 72 Ca 0.17 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 59.02 1uc3 h TRP 72 Cb -0.05 -0.15 -0.01 0.00 -0.00 0.00 0.00 29.16 28.95 1uc3 h TRP 72 CO -0.05 0.46 0.05 1.25 -0.00 0.00 0.00 178.44 180.14 1uc3 h HIS 73 N 0.40 0.23 -0.80 2.65 2.76 -1.24 -1.53 115.15 117.63 1uc3 h HIS 73 Ca 0.11 -0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.29 1uc3 h HIS 73 Cb 0.16 -0.07 -0.05 0.00 1.55 0.00 0.00 27.41 29.00 1uc3 h HIS 73 CO -0.01 0.33 0.51 0.00 -1.30 0.00 0.00 177.93 177.47 1uc3 h ALA 74 N 0.87 1.05 -0.10 5.26 0.00 -0.43 -1.51 119.26 124.41 1uc3 h ALA 74 Ca 0.05 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1uc3 h ALA 74 Cb 0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1uc3 h ALA 74 CO -0.00 0.33 -0.41 0.93 0.00 0.00 0.00 179.25 180.09 1uc3 h GLU 75 N 1.00 0.21 -0.47 0.00 5.08 -0.48 -1.94 114.58 117.98 1uc3 h GLU 75 Ca 0.32 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.50 1uc3 h GLU 75 Cb 0.00 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1uc3 h GLU 75 CO -0.11 0.60 0.01 0.00 -1.00 0.00 0.00 179.01 178.50 1uc3 h ARG 76 N 0.18 0.83 0.11 2.33 3.08 -0.62 -2.35 114.38 117.93 1uc3 h ARG 76 Ca 0.02 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.80 1uc3 h ARG 76 Cb 0.81 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1uc3 h ARG 76 CO 0.06 0.87 -0.05 0.82 -1.07 0.00 0.00 179.97 180.60 1uc3 h ILE 77 N 0.68 0.94 -0.86 2.04 2.04 -1.02 -2.41 117.51 118.93 1uc3 h ILE 77 Ca 0.13 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.84 1uc3 h ILE 77 Cb 0.50 1.05 -0.05 0.00 -0.74 0.00 0.00 36.82 37.58 1uc3 h ILE 77 CO 0.02 0.04 0.57 -0.29 0.00 0.00 0.00 178.15 178.49 1uc3 h ILE 78 N -0.22 1.18 0.00 -0.67 6.09 -1.34 -2.00 117.51 120.54 1uc3 h ILE 78 Ca -0.01 -0.38 -0.07 0.00 -1.37 0.00 0.00 64.86 63.02 1uc3 h ILE 78 Cb 0.18 -0.04 -0.01 0.00 0.47 0.00 0.00 36.82 37.42 1uc3 h ILE 78 CO 0.02 0.20 -0.33 0.78 -3.07 0.00 0.00 178.15 175.76 1uc3 h ASN 79 N 1.12 0.00 -0.42 2.19 2.35 -1.27 -0.78 115.58 118.77 1uc3 h ASN 79 Ca 0.33 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.95 1uc3 h ASN 79 Cb -0.05 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1uc3 h ASN 79 CO -0.09 0.33 -0.25 0.00 -1.65 0.00 0.00 177.43 175.77 1uc3 h ALA 80 N 1.67 0.60 -0.49 -0.83 0.00 -0.85 0.13 119.26 119.48 1uc3 h ALA 80 Ca -0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 1uc3 h ALA 80 Cb 0.69 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1uc3 h ALA 80 CO 0.04 0.60 -0.06 0.28 0.00 0.00 0.00 179.25 180.12 1uc3 h VAL 81 N 0.74 1.26 0.23 0.00 2.07 -1.23 -1.20 116.25 118.11 1uc3 h VAL 81 Ca 0.09 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 1uc3 h VAL 81 Cb 0.83 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1uc3 h VAL 81 CO 0.07 0.40 -0.11 -1.13 0.02 0.00 0.00 177.57 176.82 1uc3 h ASN 82 N 0.79 -0.26 -1.01 0.57 -1.24 -0.86 0.94 115.58 114.51 1uc3 h ASN 82 Ca 0.14 -0.04 0.22 0.00 0.71 0.00 0.00 56.30 57.33 1uc3 h ASN 82 Cb 0.56 0.07 -0.12 0.00 0.73 0.00 0.00 38.32 39.56 1uc3 h ASN 82 CO 0.03 -0.13 0.60 0.44 -1.29 0.00 0.00 177.43 177.09 1uc3 h ASP 83 N -0.37 0.72 -0.26 1.15 3.32 -0.46 0.88 116.42 121.40 1uc3 h ASP 83 Ca -0.03 0.12 -0.08 0.00 0.02 0.00 0.00 57.03 57.06 1uc3 h ASP 83 Cb 0.28 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1uc3 h ASP 83 CO 0.05 0.18 -0.14 0.00 -1.72 0.00 0.00 179.24 177.62 1uc3 h ALA 84 N 1.69 0.37 -0.06 3.45 0.00 -0.33 -2.37 119.26 122.00 1uc3 h ALA 84 Ca 0.61 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1uc3 h ALA 84 Cb 1.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1uc3 h ALA 84 CO -0.43 0.25 -0.08 0.28 0.00 0.00 0.00 179.25 179.28 1uc3 h VAL 85 N 0.29 1.10 -0.00 0.00 2.07 0.96 -0.02 116.25 120.64 1uc3 h VAL 85 Ca 0.06 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1uc3 h VAL 85 Cb 0.65 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1uc3 h VAL 85 CO 0.04 0.13 -0.01 0.00 0.02 0.00 0.00 177.57 177.75 1uc3 n ALA 86 N -2.51 2.66 -0.16 1.67 0.00 0.12 -3.51 120.51 118.78 1uc3 n ALA 86 Ca -0.02 -0.23 0.01 0.00 0.00 0.00 0.00 53.44 53.20 1uc3 n ALA 86 Cb 0.18 -1.46 0.01 0.00 0.00 0.00 0.00 19.45 18.19 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 -0.88 1.95 0.34 0.00 7.64 -0.04 -4.74 113.62 117.90 1uc3 n SER 87 Ca 0.22 -2.08 0.22 0.00 1.01 0.00 0.00 58.87 58.24 1uc3 n SER 87 Cb 0.17 -0.05 1.15 0.00 -1.01 0.00 0.00 64.21 64.48 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 0.00 0.00 -0.65 1.43 2.86 -1.55 0.34 114.93 117.37 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 0.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.24 1uc3 h MET 88 CO 0.00 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 177.72 1uc3 n ASP 89 N -3.06 3.99 -2.95 1.22 8.00 -1.26 -4.52 116.55 117.97 1uc3 n ASP 89 Ca -0.03 -2.12 -0.15 0.00 0.71 0.00 0.00 54.79 53.20 1uc3 n ASP 89 Cb 0.12 -0.47 0.01 0.00 -0.02 0.00 0.00 41.12 40.76 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 1.31 -1.24 -0.08 -2.24 -0.08 0.12 -4.99 116.55 109.35 1uc3 n ASP 90 Ca 0.23 -3.16 0.17 0.00 -1.51 0.00 0.00 54.79 50.52 1uc3 n ASP 90 Cb 0.66 0.71 0.58 0.00 2.34 0.00 0.00 41.12 45.41 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 2.36 0.79 -0.63 5.18 2.02 -1.76 -0.63 112.91 120.24 1uc3 h THR 91 Ca -0.03 -0.08 0.09 0.00 0.77 0.00 0.00 66.41 67.15 1uc3 h THR 91 Cb 0.99 0.53 -0.07 0.00 -1.74 0.00 0.00 68.15 67.86 1uc3 h THR 91 CO 0.36 0.04 0.27 -0.08 0.37 0.00 0.00 175.52 176.48 1uc3 h GLU 92 N 0.24 0.46 -0.13 6.66 4.81 -1.94 0.35 114.58 125.03 1uc3 h GLU 92 Ca 0.30 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.46 1uc3 h GLU 92 Cb 0.86 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.13 1uc3 h GLU 92 CO -0.06 0.31 -0.08 -0.22 -0.73 0.00 0.00 179.01 178.22 1uc3 h LYS 93 N 0.48 0.28 -0.89 1.92 3.64 -1.47 -1.89 116.57 118.64 1uc3 h LYS 93 Ca 0.31 -0.13 0.13 0.00 -1.27 0.00 0.00 60.65 59.69 1uc3 h LYS 93 Cb 0.35 -0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.08 1uc3 h LYS 93 CO -0.28 0.64 0.50 1.98 -2.27 0.00 0.00 179.45 180.03 1uc3 h MET 94 N -0.07 0.74 -0.38 1.90 4.05 -1.00 -1.47 114.93 118.71 1uc3 h MET 94 Ca 0.03 -0.04 -0.15 0.00 -0.28 0.00 0.00 59.70 59.25 1uc3 h MET 94 Cb 0.57 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 1uc3 h MET 94 CO 0.02 0.49 -0.35 0.77 0.23 0.00 0.00 176.91 178.07 1uc3 h SER 95 N 0.76 0.96 -0.91 1.39 0.02 -0.21 0.43 113.55 115.99 1uc3 h SER 95 Ca 0.46 -0.46 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1uc3 h SER 95 Cb 0.55 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.78 1uc3 h SER 95 CO -0.31 1.22 0.55 0.24 -1.14 0.00 0.00 176.83 177.39 1uc3 h MET 96 N 0.71 1.24 0.04 3.45 2.07 -0.49 -0.58 114.93 121.38 1uc3 h MET 96 Ca 0.06 -0.11 -0.24 0.00 -2.07 0.00 0.00 59.70 57.34 1uc3 h MET 96 Cb 0.94 -0.26 0.02 0.00 -1.87 0.00 0.00 31.60 30.43 1uc3 h MET 96 CO 0.09 0.87 -0.96 0.87 1.07 0.00 0.00 176.91 178.85 1uc3 h LYS 97 N 1.26 0.58 -0.20 1.72 1.57 -1.17 -2.59 116.57 117.74 1uc3 h LYS 97 Ca 0.33 -0.68 -0.10 0.00 -1.87 0.00 0.00 60.65 58.33 1uc3 h LYS 97 Cb -0.05 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1uc3 h LYS 97 CO -0.06 1.28 -0.29 -0.07 -0.57 0.00 0.00 179.45 179.74 1uc3 h LEU 98 N 0.18 0.39 -0.22 2.94 3.38 -0.79 -1.58 115.31 119.61 1uc3 h LEU 98 Ca -0.13 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 1uc3 h LEU 98 Cb 1.65 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 1uc3 h LEU 98 CO 0.19 0.68 -0.07 0.03 0.09 0.00 0.00 178.44 179.35 1uc3 h ARG 99 N 0.34 0.44 -0.73 1.13 3.08 -1.16 0.64 114.38 118.13 1uc3 h ARG 99 Ca 0.05 -0.18 0.06 0.00 0.07 0.00 0.00 59.98 59.98 1uc3 h ARG 99 Cb 0.69 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.66 1uc3 h ARG 99 CO 0.05 0.69 0.43 0.22 -1.07 0.00 0.00 179.97 180.29 1uc3 h ASP 100 N 0.17 0.64 -0.09 7.04 1.82 -1.27 -0.92 116.42 123.81 1uc3 h ASP 100 Ca 0.05 0.03 -0.09 0.00 -0.39 0.00 0.00 57.03 56.63 1uc3 h ASP 100 Cb 0.54 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.43 1uc3 h ASP 100 CO 0.03 0.41 -0.21 0.25 -1.61 0.00 0.00 179.24 178.10 1uc3 h LEU 101 N 0.78 0.50 -0.54 2.28 5.85 -1.08 -2.82 115.31 120.28 1uc3 h LEU 101 Ca 0.33 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1uc3 h LEU 101 Cb 0.20 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1uc3 h LEU 101 CO -0.18 0.72 0.27 -1.28 -0.34 0.00 0.00 178.44 177.63 1uc3 h SER 102 N 0.45 0.70 -0.65 1.25 0.87 0.43 -2.13 113.55 114.46 1uc3 h SER 102 Ca 0.07 -0.12 0.01 0.00 -1.23 0.00 0.00 61.79 60.53 1uc3 h SER 102 Cb 0.62 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.37 1uc3 h SER 102 CO 0.04 0.62 0.42 1.23 -0.53 0.00 0.00 176.83 178.62 1uc3 h GLY 103 N 0.73 0.92 1.46 5.77 0.00 -1.05 -1.08 103.07 109.83 1uc3 h GLY 103 Ca 0.19 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 1uc3 h GLY 103 CO -0.03 0.31 0.22 0.50 0.00 0.00 0.00 176.54 177.55 1uc3 h LYS 104 N 0.86 0.70 -0.37 4.80 1.57 -1.29 0.75 116.57 123.58 1uc3 h LYS 104 Ca 0.25 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.86 1uc3 h LYS 104 Cb -0.07 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1uc3 h LYS 104 CO -0.07 0.56 -0.06 0.45 -0.57 0.00 0.00 179.45 179.76 1uc3 h HIS 105 N 0.70 0.78 0.06 -1.35 3.86 -0.62 0.28 115.15 118.85 1uc3 h HIS 105 Ca 0.17 -0.16 -0.11 0.00 -1.16 0.00 0.00 60.37 59.12 1uc3 h HIS 105 Cb 0.10 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.38 1uc3 h HIS 105 CO 0.01 0.83 -0.53 0.00 0.86 0.00 0.00 177.93 179.09 1uc3 h ALA 106 N 0.84 0.01 0.02 2.45 0.00 -0.96 0.69 119.26 122.31 1uc3 h ALA 106 Ca 0.10 -0.69 -0.20 0.00 0.00 0.00 0.00 54.91 54.12 1uc3 h ALA 106 Cb 0.56 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1uc3 h ALA 106 CO 0.03 0.27 -0.94 0.87 0.00 0.00 0.00 179.25 179.49 1uc3 h LYS 107 N -0.72 0.08 0.00 0.00 1.57 -0.99 -3.35 116.57 113.17 1uc3 h LYS 107 Ca -0.11 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.52 1uc3 h LYS 107 Cb 1.32 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.66 1uc3 h LYS 107 CO 0.04 0.95 -0.82 0.43 -0.57 0.00 0.00 179.45 179.48 1uc3 n SER 108 N -3.52 0.71 0.23 0.86 7.64 -0.72 -4.74 113.62 114.10 1uc3 n SER 108 Ca -0.02 0.10 0.12 0.00 1.01 0.00 0.00 58.87 60.08 1uc3 n SER 108 Cb 0.87 -0.25 0.50 0.00 -1.01 0.00 0.00 64.21 64.31 1uc3 n SER 108 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 1uc3 h PHE 109 N -0.17 0.00 -6.26 1.43 0.04 -0.52 -3.47 116.94 107.99 1uc3 h PHE 109 Ca -0.07 0.00 -0.45 0.00 2.80 0.00 0.00 57.97 60.25 1uc3 h PHE 109 Cb 0.72 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.90 1uc3 h PHE 109 CO -0.04 0.17 -0.88 1.04 -0.60 0.00 0.00 178.31 178.00 1uc3 n GLN 110 N -3.31 -3.36 -3.67 1.51 6.02 0.17 -4.95 117.38 109.78 1uc3 n GLN 110 Ca 0.00 0.51 -0.36 0.00 -0.01 0.00 0.00 57.00 57.14 1uc3 n GLN 110 Cb 0.41 -4.70 -0.07 0.00 1.02 0.00 0.00 30.24 26.89 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 -3.73 5.37 0.03 5.09 -7.23 -0.79 -5.03 120.40 114.11 1uc3 s VAL 111 Ca 0.12 0.35 -0.33 0.00 -1.81 0.00 0.00 61.98 60.31 1uc3 s VAL 111 Cb -0.04 -3.53 -0.12 0.00 0.56 0.00 0.00 36.38 33.25 1uc3 s VAL 111 CO 0.85 0.45 1.78 -0.67 -0.31 0.00 0.00 175.10 177.20 1uc3 n ASP 112 N 3.24 3.46 0.00 4.85 -0.08 -1.26 -4.78 116.55 121.97 1uc3 n ASP 112 Ca -0.15 1.01 0.09 0.00 -1.51 0.00 0.00 54.79 54.22 1uc3 n ASP 112 Cb 0.52 -1.42 0.43 0.00 2.34 0.00 0.00 41.12 42.99 1uc3 n ASP 112 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1uc3 n PRO 113 N 5.46 0.20 0.21 -0.67 -0.04 -1.26 -3.38 135.00 135.52 1uc3 n PRO 113 Ca 0.20 0.13 0.08 0.00 -0.04 0.00 0.00 63.50 63.87 1uc3 n PRO 113 Cb 0.31 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 32.68 1uc3 n PRO 113 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 1uc3 h GLN 114 N 0.00 0.00 0.00 0.54 3.07 -2.02 -3.25 115.11 113.45 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 0.19 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.75 1uc3 h GLN 114 CO 0.00 0.28 -0.12 0.66 0.09 0.00 0.00 178.83 179.74 1uc3 n TYR 115 N -3.45 0.11 0.12 0.06 4.01 -1.22 -4.17 117.16 112.63 1uc3 n TYR 115 Ca -0.00 0.03 -0.13 0.00 -0.16 0.00 0.00 57.90 57.64 1uc3 n TYR 115 Cb 0.46 -0.50 -0.06 0.00 -0.31 0.00 0.00 39.34 38.92 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 -0.95 -0.35 -0.72 0.04 -1.81 -1.83 116.94 111.32 1uc3 h PHE 116 Ca 0.00 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 1uc3 h PHE 116 Cb 0.53 0.40 -0.02 0.00 2.20 0.00 0.00 35.95 39.07 1uc3 h PHE 116 CO 0.00 -0.45 0.17 1.57 -0.60 0.00 0.00 178.31 179.00 1uc3 h LYS 117 N -0.57 0.49 -0.35 1.51 2.10 -1.84 -0.60 116.57 117.30 1uc3 h LYS 117 Ca 0.03 -0.05 -0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1uc3 h LYS 117 Cb 0.60 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 31.82 1uc3 h LYS 117 CO -0.20 0.38 0.22 0.28 -2.00 0.00 0.00 179.45 178.13 1uc3 h VAL 118 N 0.49 1.11 -0.30 0.07 2.07 -1.56 0.18 116.25 118.31 1uc3 h VAL 118 Ca 0.13 -0.24 -0.14 0.00 0.82 0.00 0.00 66.70 67.27 1uc3 h VAL 118 Cb 0.06 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1uc3 h VAL 118 CO -0.02 0.11 -0.37 0.25 0.02 0.00 0.00 177.57 177.56 1uc3 h LEU 119 N 0.46 0.73 -0.97 2.57 5.85 -0.94 -3.01 115.31 120.00 1uc3 h LEU 119 Ca 0.13 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 1uc3 h LEU 119 Cb -0.01 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 1uc3 h LEU 119 CO -0.02 1.03 0.49 0.00 -0.34 0.00 0.00 178.44 179.60 1uc3 h ALA 120 N 1.01 1.22 -0.78 1.25 0.00 -0.57 -2.00 119.26 119.39 1uc3 h ALA 120 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1uc3 h ALA 120 Cb 0.90 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1uc3 h ALA 120 CO 0.08 0.64 0.50 0.00 0.00 0.00 0.00 179.25 180.47 1uc3 h ALA 121 N 1.32 0.99 -0.41 0.00 0.00 -0.53 0.18 119.26 120.82 1uc3 h ALA 121 Ca 0.31 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1uc3 h ALA 121 Cb 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1uc3 h ALA 121 CO -0.05 0.42 0.13 0.28 0.00 0.00 0.00 179.25 180.03 1uc3 h VAL 122 N 1.06 1.17 -0.26 0.00 2.07 -1.34 0.18 116.25 119.14 1uc3 h VAL 122 Ca 0.28 -0.57 -0.14 0.00 0.82 0.00 0.00 66.70 67.09 1uc3 h VAL 122 Cb -0.10 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1uc3 h VAL 122 CO -0.06 0.21 -0.40 0.40 0.02 0.00 0.00 177.57 177.74 1uc3 h ILE 123 N 0.58 1.30 -0.45 4.57 2.04 -0.46 -2.05 117.51 123.04 1uc3 h ILE 123 Ca 0.14 -1.60 0.01 0.00 1.00 0.00 0.00 64.86 64.41 1uc3 h ILE 123 Cb 0.17 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 1uc3 h ILE 123 CO -0.01 0.51 0.29 0.00 0.00 0.00 0.00 178.15 178.94 1uc3 h ALA 124 N 0.66 0.57 0.00 1.87 0.00 0.04 0.46 119.26 122.86 1uc3 h ALA 124 Ca 0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1uc3 h ALA 124 Cb 1.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1uc3 h ALA 124 CO 0.09 0.00 -0.21 0.22 0.00 0.00 0.00 179.25 179.35 1uc3 h ASP 125 N 0.59 0.00 0.18 0.00 3.58 -0.64 -0.38 116.42 119.75 1uc3 h ASP 125 Ca 0.17 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.29 1uc3 h ASP 125 Cb -0.05 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.01 1uc3 h ASP 125 CO -0.05 0.21 -1.60 0.74 -2.88 0.00 0.00 179.24 175.67 1uc3 h THR 126 N 0.00 1.04 0.12 2.25 2.02 -0.75 -3.31 112.91 114.28 1uc3 h THR 126 Ca -0.00 -2.52 -0.01 0.00 0.77 0.00 0.00 66.41 64.65 1uc3 h THR 126 Cb 0.39 2.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.63 1uc3 h THR 126 CO 0.03 0.82 -0.06 0.58 0.37 0.00 0.00 175.52 177.25 1uc3 h VAL 127 N 0.01 0.57 -0.97 3.16 2.07 -0.82 -3.44 116.25 116.83 1uc3 h VAL 127 Ca -0.31 -1.19 -0.30 0.00 0.82 0.00 0.00 66.70 65.71 1uc3 h VAL 127 Cb 2.03 1.02 -0.22 0.00 -1.52 0.00 0.00 31.29 32.60 1uc3 h VAL 127 CO 0.17 0.17 -0.66 0.00 0.02 0.00 0.00 177.57 177.28 1uc3 n ALA 128 N -2.68 -0.36 -1.61 1.67 0.00 -0.21 -4.89 120.51 112.43 1uc3 n ALA 128 Ca -0.05 -1.83 -0.52 0.00 0.00 0.00 0.00 53.44 51.03 1uc3 n ALA 128 Cb 0.20 -1.22 -0.06 0.00 0.00 0.00 0.00 19.45 18.37 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 2.19 -0.65 0.00 0.00 0.00 -0.85 -1.44 120.51 119.76 1uc3 n ALA 129 Ca 0.17 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.10 1uc3 n ALA 129 Cb 0.57 -2.13 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 2.84 2.63 3.65 0.00 0.00 -1.26 -5.02 105.19 108.03 1uc3 n GLY 130 Ca 0.19 -0.31 -0.49 0.00 0.00 0.00 0.00 46.02 45.42 1uc3 n GLY 130 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1uc3 n ASP 131 N 0.84 2.72 0.08 1.61 2.03 -0.52 -4.88 116.55 118.44 1uc3 n ASP 131 Ca 0.00 1.08 -0.12 0.00 0.52 0.00 0.00 54.79 56.26 1uc3 n ASP 131 Cb 0.00 -1.34 -0.06 0.00 -0.72 0.00 0.00 41.12 39.00 1uc3 n ASP 131 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1uc3 h ALA 132 N 6.08 0.34 -0.29 -1.67 0.00 -1.95 -3.17 119.26 118.59 1uc3 h ALA 132 Ca -0.46 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 53.68 1uc3 h ALA 132 Cb 1.28 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1uc3 h ALA 132 CO 0.87 0.91 0.19 0.78 0.00 0.00 0.00 179.25 181.99 1uc3 h GLY 133 N 1.59 0.41 1.12 0.00 0.00 -1.93 0.97 103.07 105.23 1uc3 h GLY 133 Ca -0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 1uc3 h GLY 133 CO 0.16 0.15 0.31 -2.75 0.00 0.00 0.00 176.54 174.41 1uc3 h PHE 134 N 0.39 1.14 -0.46 5.60 3.57 -1.90 -1.93 116.94 123.35 1uc3 h PHE 134 Ca 0.11 -0.08 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 1uc3 h PHE 134 Cb -0.03 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.35 1uc3 h PHE 134 CO -0.05 0.86 -0.02 0.93 -2.23 0.00 0.00 178.31 177.80 1uc3 h GLU 135 N 1.10 0.77 -0.18 1.11 5.08 -1.44 0.23 114.58 121.25 1uc3 h GLU 135 Ca 0.25 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1uc3 h GLU 135 Cb 0.20 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1uc3 h GLU 135 CO -0.02 0.79 0.05 -0.22 -1.00 0.00 0.00 179.01 178.61 1uc3 h LYS 136 N 0.72 0.13 -0.77 2.33 3.64 -0.21 0.34 116.57 122.76 1uc3 h LYS 136 Ca 0.14 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1uc3 h LYS 136 Cb 0.46 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 1uc3 h LYS 136 CO 0.02 0.08 0.36 1.25 -2.27 0.00 0.00 179.45 178.90 1uc3 h LEU 137 N 0.13 1.01 -0.72 5.20 7.12 -0.92 -0.45 115.31 126.69 1uc3 h LEU 137 Ca 0.08 -0.14 -0.05 0.00 0.13 0.00 0.00 57.88 57.89 1uc3 h LEU 137 Cb 0.06 -0.26 -0.03 0.00 -0.53 0.00 0.00 40.66 39.90 1uc3 h LEU 137 CO -0.09 0.87 0.24 0.24 -0.13 0.00 0.00 178.44 179.56 1uc3 h MET 138 N 1.08 1.11 -0.27 1.25 2.86 -0.39 -1.01 114.93 119.56 1uc3 h MET 138 Ca 0.26 -0.23 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1uc3 h MET 138 Cb 0.13 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1uc3 h MET 138 CO -0.03 0.94 0.17 0.77 1.06 0.00 0.00 176.91 179.82 1uc3 h SER 139 N 1.05 0.33 -0.68 1.22 0.02 0.21 0.26 113.55 115.97 1uc3 h SER 139 Ca 0.23 -0.05 0.09 0.00 -0.84 0.00 0.00 61.79 61.23 1uc3 h SER 139 Cb 0.29 -0.08 -0.07 0.00 0.14 0.00 0.00 62.40 62.67 1uc3 h SER 139 CO -0.01 0.28 0.31 0.24 -1.14 0.00 0.00 176.83 176.51 1uc3 h MET 140 N 0.35 0.52 0.28 3.45 2.07 -0.68 0.19 114.93 121.10 1uc3 h MET 140 Ca 0.10 -0.03 -0.01 0.00 -2.07 0.00 0.00 59.70 57.68 1uc3 h MET 140 Cb 0.01 -0.12 0.00 0.00 -1.87 0.00 0.00 31.60 29.62 1uc3 h MET 140 CO -0.02 0.35 -0.13 0.82 1.07 0.00 0.00 176.91 179.00 1uc3 h ILE 141 N 0.54 0.77 -0.61 -1.22 2.04 -0.74 -1.89 117.51 116.40 1uc3 h ILE 141 Ca 0.34 -0.37 0.05 0.00 1.00 0.00 0.00 64.86 65.89 1uc3 h ILE 141 Cb 0.37 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 1uc3 h ILE 141 CO -0.28 0.08 0.32 0.00 0.00 0.00 0.00 178.15 178.27 1uc3 h ILE 143 N 0.61 0.85 -0.13 0.00 2.04 -0.59 -1.47 117.51 118.83 1uc3 h ILE 143 Ca 0.27 -0.12 -0.11 0.00 1.00 0.00 0.00 64.86 65.90 1uc3 h ILE 143 Cb 0.17 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1uc3 h ILE 143 CO -0.18 0.07 -0.41 -0.07 0.00 0.00 0.00 178.15 177.56 1uc3 h LEU 144 N 0.36 0.30 -0.89 1.44 3.38 -0.43 -2.77 115.31 116.70 1uc3 h LEU 144 Ca 0.23 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1uc3 h LEU 144 Cb 0.22 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1uc3 h LEU 144 CO -0.22 0.68 0.00 -0.07 0.09 0.00 0.00 178.44 178.92 1uc3 h LEU 145 N 0.24 0.00 -0.66 1.67 3.38 0.68 -2.52 115.31 118.10 1uc3 h LEU 145 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1uc3 h LEU 145 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1uc3 h LEU 145 CO 0.07 0.00 -0.65 0.54 0.09 0.00 0.00 178.44 178.49 1uc3 n ARG 146 N -2.54 0.84 -0.06 1.13 1.74 -0.64 -4.57 116.66 112.55 1uc3 n ARG 146 Ca 0.02 -0.66 0.22 0.00 -0.77 0.00 0.00 57.85 56.65 1uc3 n ARG 146 Cb 0.28 -1.48 0.68 0.00 -1.02 0.00 0.00 32.46 30.92 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 1.61 0.04 0.86 0.55 4.64 -1.19 -2.15 113.55 117.91 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 0.67 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1uc3 h SER 147 CO 0.00 0.02 -0.50 0.00 -0.87 0.00 0.00 176.83 175.48 1uc3 n ALA 148 N -2.65 2.94 1.47 5.18 0.00 -1.26 -5.07 120.51 121.12 1uc3 n ALA 148 Ca 0.12 -0.24 0.12 0.00 0.00 0.00 0.00 53.44 53.45 1uc3 n ALA 148 Cb 0.69 -1.21 0.70 0.00 0.00 0.00 0.00 19.45 19.63 1uc3 n ALA 148 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16