#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 3.92 0.32 4.25 1.01 -1.26 -4.94 121.20 124.51 1uc3 s ILE 2 Ca 0.00 1.22 0.08 0.00 0.00 0.00 0.00 60.65 61.96 1uc3 s ILE 2 Cb 0.00 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 1uc3 s ILE 2 CO 0.00 -0.05 0.13 0.68 0.00 0.00 0.00 174.94 175.70 1uc3 s VAL 3 N 2.95 3.18 -0.04 2.92 -7.23 -1.26 -5.00 120.40 115.92 1uc3 s VAL 3 Ca 0.62 -1.70 0.05 0.00 -1.81 0.00 0.00 61.98 59.15 1uc3 s VAL 3 Cb -0.28 -2.99 0.08 0.00 0.56 0.00 0.00 36.38 33.75 1uc3 s VAL 3 CO 0.23 -0.22 0.94 -0.90 -0.31 0.00 0.00 175.10 174.84 1uc3 n ASP 4 N -1.13 1.32 -3.97 4.85 5.68 -1.26 -4.38 116.55 117.66 1uc3 n ASP 4 Ca -0.04 -2.11 -0.12 0.00 -0.50 0.00 0.00 54.79 52.02 1uc3 n ASP 4 Cb 0.61 -0.16 -0.08 0.00 -1.14 0.00 0.00 41.12 40.35 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 -1.34 0.29 1.51 -1.12 1.04 -1.26 -4.12 113.70 108.70 1uc3 s SER 5 Ca 0.09 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.22 1uc3 s SER 5 Cb 0.08 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1uc3 s SER 5 CO 0.01 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 173.85 1uc3 n GLY 6 N -0.36 2.03 3.23 7.32 0.00 -1.26 -4.86 105.19 111.28 1uc3 n GLY 6 Ca 0.01 -0.39 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.03 0.10 1.61 0.15 -1.26 -5.05 113.70 105.22 1uc3 s SER 7 Ca 0.00 -0.35 0.06 0.00 0.70 0.00 0.00 55.95 56.36 1uc3 s SER 7 Cb 0.00 0.34 -0.03 0.00 -1.71 0.00 0.00 66.02 64.62 1uc3 s SER 7 CO 0.00 -0.64 -0.14 0.68 1.20 0.00 0.00 173.24 174.34 1uc3 s VAL 8 N -2.92 1.24 0.65 4.45 -7.23 -1.26 -5.13 120.40 110.20 1uc3 s VAL 8 Ca -0.02 -1.57 -0.17 0.00 -1.81 0.00 0.00 61.98 58.41 1uc3 s VAL 8 Cb 0.00 -1.36 -0.00 0.00 0.56 0.00 0.00 36.38 35.58 1uc3 s VAL 8 CO -0.06 -0.35 1.22 0.00 -0.31 0.00 0.00 175.10 175.60 1uc3 s ALA 9 N -1.84 2.36 0.65 1.32 0.00 -1.26 -4.95 121.76 118.04 1uc3 s ALA 9 Ca 0.05 0.97 -0.17 0.00 0.00 0.00 0.00 51.96 52.81 1uc3 s ALA 9 Cb -0.07 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 1uc3 s ALA 9 CO 0.03 -1.49 0.83 -2.30 0.00 0.00 0.00 175.76 172.82 1uc3 n PRO 10 N -2.09 0.62 -2.52 0.00 -0.02 -1.26 -4.92 135.00 124.82 1uc3 n PRO 10 Ca 0.14 0.26 -0.42 0.00 -2.02 0.00 0.00 63.50 61.45 1uc3 n PRO 10 Cb 0.50 -2.07 -0.03 0.00 -0.02 0.00 0.00 33.50 31.88 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 -1.69 4.37 0.76 2.45 1.43 -1.26 -5.02 118.68 119.73 1uc3 s LEU 11 Ca 0.73 1.91 -0.12 0.00 -1.03 0.00 0.00 54.13 55.62 1uc3 s LEU 11 Cb -0.39 -3.58 0.05 0.00 0.03 0.00 0.00 46.19 42.31 1uc3 s LEU 11 CO 0.50 -0.39 1.10 -0.94 0.23 0.00 0.00 176.35 176.85 1uc3 s SER 12 N 1.00 4.85 0.25 2.29 1.04 -1.26 -4.86 113.70 117.00 1uc3 s SER 12 Ca 0.56 1.20 -0.05 0.00 0.48 0.00 0.00 55.95 58.14 1uc3 s SER 12 Cb -0.27 -1.94 0.34 0.00 0.10 0.00 0.00 66.02 64.26 1uc3 s SER 12 CO 0.29 -1.73 1.87 0.00 0.98 0.00 0.00 173.24 174.65 1uc3 h ALA 13 N -0.92 1.25 -0.48 5.32 0.00 -1.99 -1.29 119.26 121.15 1uc3 h ALA 13 Ca -0.46 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 1uc3 h ALA 13 Cb 1.27 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1uc3 h ALA 13 CO 0.62 0.38 -0.23 0.00 0.00 0.00 0.00 179.25 180.01 1uc3 h ALA 14 N 1.41 0.69 -0.74 0.00 0.00 -1.99 -1.65 119.26 116.97 1uc3 h ALA 14 Ca 0.39 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1uc3 h ALA 14 Cb 0.13 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1uc3 h ALA 14 CO -0.16 0.68 0.31 0.93 0.00 0.00 0.00 179.25 181.01 1uc3 h GLU 15 N 0.85 1.09 -0.05 0.00 5.08 -1.80 -1.02 114.58 118.74 1uc3 h GLU 15 Ca 0.11 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1uc3 h GLU 15 Cb 0.81 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 1uc3 h GLU 15 CO 0.07 0.89 0.03 0.87 -1.00 0.00 0.00 179.01 179.86 1uc3 h LYS 16 N 1.06 0.07 -0.95 2.33 1.57 -1.06 0.22 116.57 119.80 1uc3 h LYS 16 Ca 0.25 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.04 1uc3 h LYS 16 Cb 0.19 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.44 1uc3 h LYS 16 CO -0.02 0.14 0.63 1.15 -0.57 0.00 0.00 179.45 180.78 1uc3 h THR 17 N -0.02 1.22 -0.08 -0.16 2.02 -1.11 0.11 112.91 114.88 1uc3 h THR 17 Ca 0.02 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 1uc3 h THR 17 Cb 0.09 -0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.35 1uc3 h THR 17 CO -0.00 0.23 0.02 0.50 0.37 0.00 0.00 175.52 176.63 1uc3 h LYS 18 N 1.26 0.13 0.05 6.66 3.11 -0.82 -1.61 116.57 125.35 1uc3 h LYS 18 Ca 0.36 -0.03 -0.00 0.00 -2.81 0.00 0.00 60.65 58.16 1uc3 h LYS 18 Cb -0.09 -0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 31.12 1uc3 h LYS 18 CO -0.09 0.33 -0.03 0.82 -2.81 0.00 0.00 179.45 177.67 1uc3 h ILE 19 N -0.09 0.94 -0.35 2.00 2.04 -0.13 0.92 117.51 122.84 1uc3 h ILE 19 Ca 0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.93 1uc3 h ILE 19 Cb 0.26 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 1uc3 h ILE 19 CO 0.00 0.00 0.09 0.03 0.00 0.00 0.00 178.15 178.27 1uc3 h ARG 20 N -0.07 0.21 -0.19 2.37 3.08 -0.76 0.13 114.38 119.15 1uc3 h ARG 20 Ca -0.01 -0.01 -0.16 0.00 0.07 0.00 0.00 59.98 59.87 1uc3 h ARG 20 Cb 0.06 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1uc3 h ARG 20 CO 0.01 0.14 -0.55 0.66 -1.07 0.00 0.00 179.97 179.16 1uc3 h SER 21 N 0.22 0.64 0.81 7.04 4.64 -1.19 -2.37 113.55 123.35 1uc3 h SER 21 Ca 0.16 -0.34 -0.08 0.00 -0.47 0.00 0.00 61.79 61.06 1uc3 h SER 21 Cb 0.17 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1uc3 h SER 21 CO -0.20 1.06 -0.38 0.00 -0.87 0.00 0.00 176.83 176.44 1uc3 h ALA 22 N 0.95 1.01 0.04 5.18 0.00 -0.51 -3.21 119.26 122.72 1uc3 h ALA 22 Ca 0.01 -0.35 -0.25 0.00 0.00 0.00 0.00 54.91 54.32 1uc3 h ALA 22 Cb 1.09 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.84 1uc3 h ALA 22 CO 0.10 0.48 -1.01 2.35 0.00 0.00 0.00 179.25 181.17 1uc3 h TRP 23 N 0.00 0.93 -0.98 0.00 2.91 -0.57 -3.37 115.95 114.87 1uc3 h TRP 23 Ca -0.00 -0.54 0.22 0.00 1.13 0.00 0.00 58.89 59.70 1uc3 h TRP 23 Cb 0.89 -0.09 -0.19 0.00 -0.51 0.00 0.00 29.16 29.26 1uc3 h TRP 23 CO 0.00 1.38 -0.16 0.00 -1.03 0.00 0.00 178.44 178.62 1uc3 n ALA 24 N -2.65 0.32 -0.16 2.65 0.00 -0.91 -0.92 120.51 118.85 1uc3 n ALA 24 Ca -0.12 1.07 -0.08 0.00 0.00 0.00 0.00 53.44 54.32 1uc3 n ALA 24 Cb 0.87 -0.69 0.01 0.00 0.00 0.00 0.00 19.45 19.64 1uc3 n ALA 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1uc3 h PRO 25 N 0.00 0.66 -0.35 0.00 0.11 -1.75 -1.96 132.00 128.71 1uc3 h PRO 25 Ca 0.51 -0.08 -0.12 0.00 0.11 0.00 0.00 66.00 66.41 1uc3 h PRO 25 Cb 0.88 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.85 1uc3 h PRO 25 CO -0.99 0.53 -0.28 0.28 -0.21 0.00 0.00 178.00 177.33 1uc3 h VAL 26 N 0.62 1.28 0.05 3.15 2.07 -1.22 -3.30 116.25 118.90 1uc3 h VAL 26 Ca 0.16 -1.42 -0.27 0.00 0.82 0.00 0.00 66.70 66.00 1uc3 h VAL 26 Cb 0.07 1.31 0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1uc3 h VAL 26 CO -0.03 0.47 -1.10 0.22 0.02 0.00 0.00 177.57 177.15 1uc3 h TYR 27 N 0.64 0.88 0.00 1.57 5.03 -1.09 -2.74 116.97 121.25 1uc3 h TYR 27 Ca 0.08 -0.51 0.00 0.00 2.58 0.00 0.00 58.73 60.87 1uc3 h TYR 27 Cb 0.80 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 39.00 1uc3 h TYR 27 CO 0.04 1.35 0.00 -1.13 -1.32 0.00 0.00 178.16 177.10 1uc3 n SER 28 N -3.78 0.00 -0.50 -2.11 3.41 -0.74 -0.83 113.62 109.07 1uc3 n SER 28 Ca -0.11 0.05 0.06 0.00 -0.26 0.00 0.00 58.87 58.61 1uc3 n SER 28 Cb 0.92 -0.24 0.11 0.00 -0.26 0.00 0.00 64.21 64.74 1uc3 n SER 28 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1uc3 n ASN 29 N -1.24 1.52 -0.21 4.04 4.05 -1.19 -4.90 115.26 117.33 1uc3 n ASN 29 Ca 0.06 -2.94 0.18 0.00 0.45 0.00 0.00 54.58 52.32 1uc3 n ASN 29 Cb 0.08 -0.39 0.51 0.00 1.23 0.00 0.00 39.78 41.21 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 0.41 0.50 -0.05 1.20 -0.00 -0.67 -0.31 116.97 118.05 1uc3 h TYR 30 Ca -0.03 0.02 0.02 0.00 0.00 0.00 0.00 58.73 58.73 1uc3 h TYR 30 Cb 1.21 -0.16 -0.00 0.00 0.00 0.00 0.00 36.73 37.78 1uc3 h TYR 30 CO 0.25 0.16 0.06 0.93 -0.00 0.00 0.00 178.16 179.56 1uc3 h GLU 31 N 0.40 0.00 0.00 0.10 3.07 -1.89 -1.44 114.58 114.83 1uc3 h GLU 31 Ca 0.42 0.00 -0.25 0.00 -0.50 0.00 0.00 59.36 59.03 1uc3 h GLU 31 Cb 1.03 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.89 1uc3 h GLU 31 CO -0.15 0.00 -1.95 2.41 -1.40 0.00 0.00 179.01 177.92 1uc3 n THR 32 N -3.87 0.95 0.08 1.13 -1.04 -0.61 -4.42 114.28 106.51 1uc3 n THR 32 Ca -0.02 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.05 61.37 1uc3 n THR 32 Cb 0.15 -0.83 -0.07 0.00 -1.82 0.00 0.00 70.33 67.76 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 0.00 -0.11 -0.10 8.00 0.02 -0.90 -2.59 113.55 117.87 1uc3 h SER 33 Ca -0.37 -0.03 0.04 0.00 -0.84 0.00 0.00 61.79 60.58 1uc3 h SER 33 Cb 1.74 0.03 -0.05 0.00 0.14 0.00 0.00 62.40 64.25 1uc3 h SER 33 CO -0.01 -0.04 -0.24 1.23 -1.14 0.00 0.00 176.83 176.63 1uc3 h GLY 34 N -0.17 -0.27 -0.14 -3.77 0.00 -1.52 -1.79 103.07 95.41 1uc3 h GLY 34 Ca -0.01 0.29 0.03 0.00 0.00 0.00 0.00 47.33 47.64 1uc3 h GLY 34 CO 0.02 -0.20 -0.52 -2.08 0.00 0.00 0.00 176.54 173.77 1uc3 h VAL 35 N -0.32 0.00 -0.81 4.60 2.07 -1.75 0.38 116.25 120.42 1uc3 h VAL 35 Ca 0.09 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.76 1uc3 h VAL 35 Cb 0.45 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.12 1uc3 h VAL 35 CO -0.29 0.00 0.37 0.44 0.02 0.00 0.00 177.57 178.11 1uc3 h ASP 36 N -0.55 0.39 0.34 0.57 3.32 -1.29 0.42 116.42 119.62 1uc3 h ASP 36 Ca 0.03 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 1uc3 h ASP 36 Cb 0.64 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.25 1uc3 h ASP 36 CO -0.42 0.14 -0.16 0.40 -1.72 0.00 0.00 179.24 177.48 1uc3 h ILE 37 N 0.52 0.66 -0.00 0.35 2.04 -0.38 0.35 117.51 121.05 1uc3 h ILE 37 Ca 0.45 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1uc3 h ILE 37 Cb 0.68 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1uc3 h ILE 37 CO -0.40 0.09 -0.03 0.25 0.00 0.00 0.00 178.15 178.06 1uc3 h LEU 38 N -0.71 -0.09 -0.57 1.44 5.85 0.22 0.06 115.31 121.52 1uc3 h LEU 38 Ca -0.05 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.73 1uc3 h LEU 38 Cb 0.49 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 1uc3 h LEU 38 CO 0.08 -0.05 0.31 0.58 -0.34 0.00 0.00 178.44 179.02 1uc3 h VAL 39 N -0.05 0.98 0.11 1.05 2.07 -0.23 0.33 116.25 120.51 1uc3 h VAL 39 Ca 0.01 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.35 1uc3 h VAL 39 Cb 0.07 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 1uc3 h VAL 39 CO -0.03 0.11 -0.20 0.50 0.02 0.00 0.00 177.57 177.96 1uc3 h LYS 40 N 0.59 -0.37 -0.66 1.57 1.63 -0.50 -1.54 116.57 117.28 1uc3 h LYS 40 Ca 0.25 0.03 0.05 0.00 -0.85 0.00 0.00 60.65 60.13 1uc3 h LYS 40 Cb 0.13 0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 31.79 1uc3 h LYS 40 CO -0.16 -0.25 0.38 0.35 -3.45 0.00 0.00 179.45 176.32 1uc3 h PHE 41 N -0.38 0.69 0.32 1.91 3.57 -0.23 -1.62 116.94 121.20 1uc3 h PHE 41 Ca 0.02 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 1uc3 h PHE 41 Cb 0.40 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1uc3 h PHE 41 CO -0.19 0.34 -0.15 0.35 -2.23 0.00 0.00 178.31 176.43 1uc3 h PHE 42 N 0.70 -0.40 0.00 0.41 3.57 0.02 -1.85 116.94 119.40 1uc3 h PHE 42 Ca 0.29 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 1uc3 h PHE 42 Cb 0.16 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 1uc3 h PHE 42 CO -0.07 -0.23 -0.05 1.79 -2.23 0.00 0.00 178.31 177.51 1uc3 h THR 43 N -0.45 0.14 0.00 4.41 1.35 -1.23 -2.87 112.91 114.25 1uc3 h THR 43 Ca -0.04 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 1uc3 h THR 43 Cb 0.34 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1uc3 h THR 43 CO 0.07 0.05 -0.55 -1.20 -0.25 0.00 0.00 175.52 173.65 1uc3 n SER 44 N -3.17 0.65 -3.67 5.36 7.64 -0.62 -4.54 113.62 115.28 1uc3 n SER 44 Ca 0.01 0.11 -0.28 0.00 1.01 0.00 0.00 58.87 59.72 1uc3 n SER 44 Cb 0.34 0.09 -0.11 0.00 -1.01 0.00 0.00 64.21 63.52 1uc3 n SER 44 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1uc3 s THR 45 N -3.13 1.62 0.21 0.44 2.01 -0.71 -4.97 115.64 111.11 1uc3 s THR 45 Ca 0.07 -3.31 -0.10 0.00 0.31 0.00 0.00 61.69 58.67 1uc3 s THR 45 Cb 0.14 -2.09 0.15 0.00 0.01 0.00 0.00 72.50 70.71 1uc3 s THR 45 CO 0.70 -1.07 1.71 -0.65 -0.69 0.00 0.00 174.62 174.63 1uc3 h PRO 46 N 5.77 0.28 0.00 4.92 0.11 -1.80 -0.93 132.00 140.35 1uc3 h PRO 46 Ca 0.16 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1uc3 h PRO 46 Cb 0.85 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1uc3 h PRO 46 CO 0.54 0.18 0.21 0.00 -0.21 0.00 0.00 178.00 178.72 1uc3 h ALA 47 N 1.45 1.21 0.00 -0.75 0.00 -1.93 -0.84 119.26 118.40 1uc3 h ALA 47 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1uc3 h ALA 47 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1uc3 h ALA 47 CO -0.37 -0.21 -0.88 0.00 0.00 0.00 0.00 179.25 177.79 1uc3 n ALA 48 N -1.95 4.16 0.28 0.00 0.00 -0.36 -4.44 120.51 118.20 1uc3 n ALA 48 Ca -0.02 -0.50 0.14 0.00 0.00 0.00 0.00 53.44 53.07 1uc3 n ALA 48 Cb 0.26 -0.90 0.83 0.00 0.00 0.00 0.00 19.45 19.64 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 0.00 0.00 0.00 4.20 -1.10 -2.57 115.11 115.64 1uc3 h GLN 49 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1uc3 h GLN 49 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1uc3 h GLN 49 CO 0.00 0.06 0.00 1.05 -0.67 0.00 0.00 178.83 179.27 1uc3 h GLU 50 N 0.00 0.00 -0.04 1.46 4.11 -1.78 -2.83 114.58 115.50 1uc3 h GLU 50 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1uc3 h GLU 50 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1uc3 h GLU 50 CO 0.01 0.00 0.00 1.19 0.07 0.00 0.00 179.01 180.28 1uc3 n PHE 51 N -2.39 0.05 -3.39 2.06 3.72 -0.97 -4.16 117.46 112.38 1uc3 n PHE 51 Ca 0.03 -0.03 -0.27 0.00 -0.05 0.00 0.00 57.45 57.13 1uc3 n PHE 51 Cb 0.30 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.77 1uc3 n PHE 51 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1uc3 n PHE 52 N -0.44 3.65 -0.26 1.38 3.01 -1.07 -4.93 117.46 118.80 1uc3 n PHE 52 Ca 0.17 -4.12 0.19 0.00 1.01 0.00 0.00 57.45 54.71 1uc3 n PHE 52 Cb 0.17 -0.57 0.50 0.00 -0.01 0.00 0.00 39.48 39.57 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 4.16 0.41 0.00 -1.08 0.11 -1.82 -1.37 132.00 132.40 1uc3 h PRO 53 Ca 0.20 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1uc3 h PRO 53 Cb 0.65 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.67 1uc3 h PRO 53 CO 0.85 0.27 0.00 1.63 -0.21 0.00 0.00 178.00 180.54 1uc3 n LYS 54 N -4.53 0.22 0.00 1.05 5.02 -1.26 -2.09 118.16 116.58 1uc3 n LYS 54 Ca 0.20 0.13 0.12 0.00 -2.02 0.00 0.00 58.31 56.74 1uc3 n LYS 54 Cb 0.71 -1.50 0.11 0.00 -0.02 0.00 0.00 35.03 34.33 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 -1.30 0.00 -1.67 2.13 3.01 -0.52 -4.89 117.46 114.21 1uc3 n PHE 55 Ca 0.08 0.00 -0.61 0.00 1.01 0.00 0.00 57.45 57.93 1uc3 n PHE 55 Cb 0.14 -0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.53 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 1.17 0.48 0.00 -1.08 3.00 -0.89 -0.89 118.16 119.95 1uc3 n LYS 56 Ca 0.14 0.17 0.00 0.00 -0.00 0.00 0.00 58.31 58.62 1uc3 n LYS 56 Cb 0.58 -1.75 0.00 0.00 0.00 0.00 0.00 35.03 33.86 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 3.41 2.18 3.28 3.14 0.00 -1.26 -5.06 105.19 110.88 1uc3 n GLY 57 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.63 2.95 0.00 1.61 -1.94 -0.07 -4.95 119.30 116.27 1uc3 s MET 58 Ca 0.00 -0.83 0.00 0.00 -1.71 0.00 0.00 55.69 53.15 1uc3 s MET 58 Cb 0.00 -2.34 0.00 0.00 2.01 0.00 0.00 34.83 34.50 1uc3 s MET 58 CO 0.00 0.27 0.00 0.25 -0.01 0.00 0.00 175.02 175.53 1uc3 n THR 59 N 3.29 0.00 -3.15 2.05 -2.24 -1.26 -4.96 114.28 108.00 1uc3 n THR 59 Ca -0.18 -0.01 -0.29 0.00 -2.27 0.00 0.00 64.05 61.30 1uc3 n THR 59 Cb 0.53 0.52 -0.03 0.00 -2.10 0.00 0.00 70.33 69.24 1uc3 n THR 59 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1uc3 s SER 60 N -0.05 6.48 0.17 3.42 0.15 -1.26 -4.84 113.70 117.77 1uc3 s SER 60 Ca 0.00 0.88 -0.10 0.00 0.70 0.00 0.00 55.95 57.43 1uc3 s SER 60 Cb 0.00 -2.21 0.06 0.00 -1.71 0.00 0.00 66.02 62.16 1uc3 s SER 60 CO 0.00 -0.27 1.64 0.00 1.20 0.00 0.00 173.24 175.81 1uc3 h ALA 61 N 1.53 0.79 -0.84 5.45 0.00 -1.99 -2.01 119.26 122.19 1uc3 h ALA 61 Ca -0.47 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1uc3 h ALA 61 Cb 1.19 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1uc3 h ALA 61 CO 0.65 0.60 0.53 -0.44 0.00 0.00 0.00 179.25 180.60 1uc3 h ASP 62 N 0.92 0.99 0.13 0.00 5.19 -2.01 -2.65 116.42 119.00 1uc3 h ASP 62 Ca 0.17 -0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.53 1uc3 h ASP 62 Cb 0.51 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.77 1uc3 h ASP 62 CO 0.02 0.75 -0.06 1.56 -3.12 0.00 0.00 179.24 178.39 1uc3 h GLN 63 N 1.15 -0.17 -0.76 3.56 4.20 -1.94 -3.29 115.11 117.86 1uc3 h GLN 63 Ca 0.31 0.01 0.14 0.00 0.06 0.00 0.00 58.65 59.17 1uc3 h GLN 63 Cb -0.09 0.04 -0.09 0.00 0.30 0.00 0.00 27.48 27.64 1uc3 h GLN 63 CO -0.06 0.28 0.32 -0.07 -0.67 0.00 0.00 178.83 178.62 1uc3 h LEU 64 N -0.74 0.31 -1.62 1.46 3.38 -1.35 -1.46 115.31 115.30 1uc3 h LEU 64 Ca -0.02 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1uc3 h LEU 64 Cb 0.53 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1uc3 h LEU 64 CO 0.03 0.12 -0.06 0.11 0.09 0.00 0.00 178.44 178.73 1uc3 h LYS 65 N 0.47 0.17 -0.00 1.13 1.57 -1.58 -2.38 116.57 115.94 1uc3 h LYS 65 Ca 0.42 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 1uc3 h LYS 65 Cb 0.62 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1uc3 h LYS 65 CO -0.39 0.24 -0.06 1.63 -0.57 0.00 0.00 179.45 180.30 1uc3 n LYS 66 N -4.37 0.88 -3.18 3.15 5.02 -0.56 -4.87 118.16 114.23 1uc3 n LYS 66 Ca -0.01 -0.26 -0.39 0.00 -2.02 0.00 0.00 58.31 55.63 1uc3 n LYS 66 Cb 0.19 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.65 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 -2.30 6.92 0.46 4.39 0.15 -0.90 -4.95 113.70 117.48 1uc3 s SER 67 Ca 0.35 1.10 0.26 0.00 0.70 0.00 0.00 55.95 58.36 1uc3 s SER 67 Cb 0.21 -2.36 0.80 0.00 -1.71 0.00 0.00 66.02 62.96 1uc3 s SER 67 CO 0.43 0.02 1.77 0.00 1.20 0.00 0.00 173.24 176.66 1uc3 h ALA 68 N 6.16 0.97 -0.01 5.45 0.00 -1.89 -2.43 119.26 127.51 1uc3 h ALA 68 Ca -0.43 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.19 1uc3 h ALA 68 Cb 1.20 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.98 1uc3 h ALA 68 CO 0.72 0.15 -0.68 -0.44 0.00 0.00 0.00 179.25 179.01 1uc3 h ASP 69 N 0.00 0.61 -0.69 0.00 3.32 -1.93 -2.25 116.42 115.47 1uc3 h ASP 69 Ca -0.00 -0.75 -0.02 0.00 0.02 0.00 0.00 57.03 56.27 1uc3 h ASP 69 Cb 0.82 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 1uc3 h ASP 69 CO 0.02 1.28 0.33 0.58 -1.72 0.00 0.00 179.24 179.73 1uc3 h VAL 70 N -0.01 1.23 -0.27 -1.35 2.07 -1.81 -2.57 116.25 113.55 1uc3 h VAL 70 Ca -0.08 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 1uc3 h VAL 70 Cb 1.38 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1uc3 h VAL 70 CO 0.13 0.27 0.16 -0.09 0.02 0.00 0.00 177.57 178.06 1uc3 h ARG 71 N 0.95 0.37 -0.29 1.57 2.43 -1.47 -1.27 114.38 116.67 1uc3 h ARG 71 Ca 0.24 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.41 1uc3 h ARG 71 Cb 0.11 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 1uc3 h ARG 71 CO -0.03 0.29 0.08 2.35 -1.51 0.00 0.00 179.97 181.15 1uc3 h TRP 72 N 0.34 0.14 -0.55 2.20 -0.00 -1.20 0.49 115.95 117.38 1uc3 h TRP 72 Ca 0.10 0.02 -0.02 0.00 -0.00 0.00 0.00 58.89 58.99 1uc3 h TRP 72 Cb 0.02 -0.02 -0.03 0.00 -0.00 0.00 0.00 29.16 29.13 1uc3 h TRP 72 CO -0.04 0.05 0.28 1.25 -0.00 0.00 0.00 178.44 179.98 1uc3 h HIS 73 N 0.20 0.77 -0.50 2.65 2.76 -1.34 -2.03 115.15 117.66 1uc3 h HIS 73 Ca 0.13 -0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.30 1uc3 h HIS 73 Cb 0.12 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 28.81 1uc3 h HIS 73 CO -0.15 0.58 0.28 0.00 -1.30 0.00 0.00 177.93 177.34 1uc3 h ALA 74 N 1.12 0.64 -0.73 5.26 0.00 -0.72 -2.45 119.26 122.37 1uc3 h ALA 74 Ca 0.19 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1uc3 h ALA 74 Cb 0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1uc3 h ALA 74 CO -0.03 -0.03 0.29 0.93 0.00 0.00 0.00 179.25 180.41 1uc3 h GLU 75 N 0.56 1.09 -0.42 0.00 5.08 -0.51 -1.17 114.58 119.21 1uc3 h GLU 75 Ca 0.21 -0.19 -0.15 0.00 -1.00 0.00 0.00 59.36 58.23 1uc3 h GLU 75 Cb 0.05 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1uc3 h GLU 75 CO -0.11 0.88 -0.32 0.00 -1.00 0.00 0.00 179.01 178.46 1uc3 h ARG 76 N 1.06 0.96 0.48 2.33 3.08 -1.18 -1.22 114.38 119.89 1uc3 h ARG 76 Ca 0.25 -0.47 -0.02 0.00 0.07 0.00 0.00 59.98 59.80 1uc3 h ARG 76 Cb 0.20 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1uc3 h ARG 76 CO -0.02 1.14 -0.23 0.82 -1.07 0.00 0.00 179.97 180.60 1uc3 h ILE 77 N 0.80 0.50 -0.92 2.04 2.04 -1.28 0.81 117.51 121.50 1uc3 h ILE 77 Ca 0.08 -0.22 0.12 0.00 1.00 0.00 0.00 64.86 65.83 1uc3 h ILE 77 Cb 0.92 0.60 -0.07 0.00 -0.74 0.00 0.00 36.82 37.53 1uc3 h ILE 77 CO 0.09 0.04 0.59 -0.29 0.00 0.00 0.00 178.15 178.57 1uc3 h ILE 78 N -0.79 0.91 0.00 -0.67 6.09 -1.23 0.15 117.51 121.97 1uc3 h ILE 78 Ca -0.07 -0.29 -0.09 0.00 -1.37 0.00 0.00 64.86 63.04 1uc3 h ILE 78 Cb 0.56 -0.01 -0.01 0.00 0.47 0.00 0.00 36.82 37.82 1uc3 h ILE 78 CO 0.11 0.15 -0.44 0.78 -3.07 0.00 0.00 178.15 175.68 1uc3 h ASN 79 N 0.85 0.00 -0.04 2.19 2.35 -0.98 -1.08 115.58 118.87 1uc3 h ASN 79 Ca 0.45 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 56.07 1uc3 h ASN 79 Cb 0.54 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 1uc3 h ASN 79 CO -0.21 0.44 -0.37 0.00 -1.65 0.00 0.00 177.43 175.64 1uc3 h ALA 80 N 1.56 0.91 -0.11 -0.83 0.00 0.18 -0.11 119.26 120.85 1uc3 h ALA 80 Ca -0.00 -0.42 -0.17 0.00 0.00 0.00 0.00 54.91 54.32 1uc3 h ALA 80 Cb 1.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1uc3 h ALA 80 CO 0.06 0.63 -0.64 0.28 0.00 0.00 0.00 179.25 179.58 1uc3 h VAL 81 N 0.45 1.36 -0.79 0.00 2.07 -1.00 -2.61 116.25 115.72 1uc3 h VAL 81 Ca 0.05 -1.98 -0.04 0.00 0.82 0.00 0.00 66.70 65.55 1uc3 h VAL 81 Cb 0.85 1.96 -0.04 0.00 -1.52 0.00 0.00 31.29 32.55 1uc3 h VAL 81 CO 0.07 0.60 0.33 -1.13 0.02 0.00 0.00 177.57 177.47 1uc3 h ASN 82 N 0.31 1.07 -0.43 0.57 -1.24 -0.66 -1.00 115.58 114.19 1uc3 h ASN 82 Ca -0.01 -0.15 -0.05 0.00 0.71 0.00 0.00 56.30 56.80 1uc3 h ASN 82 Cb 1.18 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 39.93 1uc3 h ASN 82 CO 0.11 0.93 0.11 0.44 -1.29 0.00 0.00 177.43 177.74 1uc3 h ASP 83 N 1.14 0.71 -0.36 1.15 3.32 -0.81 -1.27 116.42 120.29 1uc3 h ASP 83 Ca 0.27 -0.12 -0.14 0.00 0.02 0.00 0.00 57.03 57.06 1uc3 h ASP 83 Cb 0.18 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1uc3 h ASP 83 CO -0.03 0.70 -0.31 0.00 -1.72 0.00 0.00 179.24 177.89 1uc3 h ALA 84 N 1.39 0.53 -0.16 3.45 0.00 -1.00 -2.14 119.26 121.32 1uc3 h ALA 84 Ca 0.16 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1uc3 h ALA 84 Cb 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1uc3 h ALA 84 CO -0.00 0.57 0.10 0.28 0.00 0.00 0.00 179.25 180.20 1uc3 h VAL 85 N 0.65 1.06 0.00 0.00 2.07 -0.88 -1.55 116.25 117.59 1uc3 h VAL 85 Ca 0.06 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1uc3 h VAL 85 Cb 0.89 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1uc3 h VAL 85 CO 0.08 0.05 0.00 0.00 0.02 0.00 0.00 177.57 177.72 1uc3 n ALA 86 N -2.15 1.95 -0.74 1.67 0.00 -0.51 -2.51 120.51 118.22 1uc3 n ALA 86 Ca -0.04 -0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.39 1uc3 n ALA 86 Cb 0.04 -1.25 0.14 0.00 0.00 0.00 0.00 19.45 18.37 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 -1.18 2.68 0.29 0.00 7.64 -0.61 -4.71 113.62 117.74 1uc3 n SER 87 Ca 0.09 -2.74 0.16 0.00 1.01 0.00 0.00 58.87 57.39 1uc3 n SER 87 Cb 0.10 -0.35 0.90 0.00 -1.01 0.00 0.00 64.21 63.85 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 0.61 0.00 -0.42 1.43 2.86 -1.24 -1.45 114.93 116.72 1uc3 h MET 88 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1uc3 h MET 88 Cb 0.97 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 1uc3 h MET 88 CO 0.05 0.04 0.01 -0.25 1.06 0.00 0.00 176.91 177.83 1uc3 n ASP 89 N -3.56 4.71 -2.89 1.22 8.00 -1.26 -4.50 116.55 118.26 1uc3 n ASP 89 Ca -0.02 -3.01 -0.13 0.00 0.71 0.00 0.00 54.79 52.34 1uc3 n ASP 89 Cb 0.15 -0.62 0.03 0.00 -0.02 0.00 0.00 41.12 40.66 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 -0.03 -1.67 0.13 -2.24 2.03 -0.55 -4.99 116.55 109.23 1uc3 n ASP 90 Ca 0.25 -3.25 0.18 0.00 0.52 0.00 0.00 54.79 52.49 1uc3 n ASP 90 Cb 1.06 1.05 0.76 0.00 -0.72 0.00 0.00 41.12 43.27 1uc3 n ASP 90 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1uc3 h THR 91 N 2.54 0.59 0.21 5.18 2.02 -1.78 -1.28 112.91 120.39 1uc3 h THR 91 Ca -0.06 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1uc3 h THR 91 Cb 1.01 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1uc3 h THR 91 CO 0.33 0.00 -0.10 -0.08 0.37 0.00 0.00 175.52 176.03 1uc3 h GLU 92 N 0.00 -0.28 -0.54 6.66 4.81 -1.94 -0.71 114.58 122.58 1uc3 h GLU 92 Ca 0.15 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.34 1uc3 h GLU 92 Cb 0.69 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 1uc3 h GLU 92 CO -0.00 -0.17 0.11 -0.22 -0.73 0.00 0.00 179.01 178.00 1uc3 h LYS 93 N -0.31 0.85 -0.84 1.92 3.64 -1.61 -1.94 116.57 118.28 1uc3 h LYS 93 Ca -0.03 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.16 1uc3 h LYS 93 Cb 0.23 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 1uc3 h LYS 93 CO 0.05 0.77 0.50 1.98 -2.27 0.00 0.00 179.45 180.48 1uc3 h MET 94 N 0.81 1.14 -0.12 1.90 4.05 -1.17 -2.66 114.93 118.88 1uc3 h MET 94 Ca 0.17 -0.11 -0.16 0.00 -0.28 0.00 0.00 59.70 59.33 1uc3 h MET 94 Cb 0.32 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 30.88 1uc3 h MET 94 CO 0.00 0.81 -0.61 0.77 0.23 0.00 0.00 176.91 178.11 1uc3 h SER 95 N 1.15 0.47 -0.30 1.39 0.02 -0.75 -1.91 113.55 113.63 1uc3 h SER 95 Ca 0.30 -0.27 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1uc3 h SER 95 Cb -0.03 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1uc3 h SER 95 CO -0.06 0.97 0.11 0.24 -1.14 0.00 0.00 176.83 176.95 1uc3 h MET 96 N 0.31 0.45 -0.11 3.45 2.07 -1.13 0.56 114.93 120.53 1uc3 h MET 96 Ca -0.01 -0.09 -0.18 0.00 -2.07 0.00 0.00 59.70 57.36 1uc3 h MET 96 Cb 1.14 -0.07 -0.00 0.00 -1.87 0.00 0.00 31.60 30.80 1uc3 h MET 96 CO 0.11 0.48 -0.67 0.87 1.07 0.00 0.00 176.91 178.76 1uc3 h LYS 97 N 0.33 0.45 0.00 1.72 1.57 -1.50 -2.51 116.57 116.62 1uc3 h LYS 97 Ca 0.10 -0.34 -0.20 0.00 -1.87 0.00 0.00 60.65 58.34 1uc3 h LYS 97 Cb 0.20 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1uc3 h LYS 97 CO -0.01 0.96 -0.87 -0.07 -0.57 0.00 0.00 179.45 178.89 1uc3 h LEU 98 N 0.32 0.27 -0.71 2.94 3.38 -1.27 -1.31 115.31 118.93 1uc3 h LEU 98 Ca -0.02 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.61 1uc3 h LEU 98 Cb 1.24 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1uc3 h LEU 98 CO 0.12 1.02 -0.35 0.03 0.09 0.00 0.00 178.44 179.35 1uc3 h ARG 99 N 0.12 0.60 -0.52 1.13 3.08 -0.90 0.15 114.38 118.03 1uc3 h ARG 99 Ca -0.04 -0.28 -0.10 0.00 0.07 0.00 0.00 59.98 59.63 1uc3 h ARG 99 Cb 1.50 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.52 1uc3 h ARG 99 CO 0.13 0.86 -0.05 0.22 -1.07 0.00 0.00 179.97 180.07 1uc3 h ASP 100 N 0.50 0.95 -0.16 7.04 1.82 -1.34 -0.96 116.42 124.29 1uc3 h ASP 100 Ca 0.05 -0.33 -0.08 0.00 -0.39 0.00 0.00 57.03 56.29 1uc3 h ASP 100 Cb 0.84 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 40.58 1uc3 h ASP 100 CO 0.07 1.05 -0.14 0.25 -1.61 0.00 0.00 179.24 178.86 1uc3 h LEU 101 N 0.83 0.52 -0.58 2.28 5.85 -0.96 -2.27 115.31 120.98 1uc3 h LEU 101 Ca 0.14 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1uc3 h LEU 101 Cb 0.60 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1uc3 h LEU 101 CO 0.04 0.69 0.30 -1.28 -0.34 0.00 0.00 178.44 177.85 1uc3 h SER 102 N 0.49 0.75 -0.59 1.25 0.87 -0.07 -1.56 113.55 114.69 1uc3 h SER 102 Ca 0.09 -0.12 0.03 0.00 -1.23 0.00 0.00 61.79 60.56 1uc3 h SER 102 Cb 0.53 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.26 1uc3 h SER 102 CO 0.03 0.65 0.35 1.23 -0.53 0.00 0.00 176.83 178.57 1uc3 h GLY 103 N 0.79 0.84 1.00 5.77 0.00 -0.64 -1.06 103.07 109.78 1uc3 h GLY 103 Ca 0.20 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 1uc3 h GLY 103 CO -0.03 0.21 0.24 0.50 0.00 0.00 0.00 176.54 177.47 1uc3 h LYS 104 N 0.69 0.93 -0.46 4.80 1.57 -1.18 0.17 116.57 123.08 1uc3 h LYS 104 Ca 0.24 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1uc3 h LYS 104 Cb 0.04 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1uc3 h LYS 104 CO -0.11 0.79 0.26 0.45 -0.57 0.00 0.00 179.45 180.27 1uc3 h HIS 105 N 0.86 0.62 0.00 -1.35 3.86 -0.75 0.13 115.15 118.52 1uc3 h HIS 105 Ca 0.20 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.40 1uc3 h HIS 105 Cb 0.21 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1uc3 h HIS 105 CO 0.01 0.46 -0.00 0.00 0.86 0.00 0.00 177.93 179.26 1uc3 h ALA 106 N 1.11 -0.00 0.00 2.45 0.00 -1.06 0.21 119.26 121.97 1uc3 h ALA 106 Ca 0.16 -0.44 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 1uc3 h ALA 106 Cb 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1uc3 h ALA 106 CO -0.03 -0.02 -0.73 0.87 0.00 0.00 0.00 179.25 179.34 1uc3 h LYS 107 N -0.97 0.00 0.00 0.00 1.57 -0.77 -3.33 116.57 113.06 1uc3 h LYS 107 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1uc3 h LYS 107 Cb 0.87 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.18 1uc3 h LYS 107 CO 0.00 0.73 -0.82 0.43 -0.57 0.00 0.00 179.45 179.23 1uc3 n SER 108 N -3.43 0.28 0.11 0.86 7.64 -0.59 -4.73 113.62 113.76 1uc3 n SER 108 Ca 0.00 0.04 0.13 0.00 1.01 0.00 0.00 58.87 60.04 1uc3 n SER 108 Cb 0.78 -0.09 0.44 0.00 -1.01 0.00 0.00 64.21 64.33 1uc3 n SER 108 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1uc3 n PHE 109 N -3.13 0.87 -4.15 1.43 3.72 0.34 -4.92 117.46 111.62 1uc3 n PHE 109 Ca -0.01 0.29 -0.32 0.00 -0.05 0.00 0.00 57.45 57.36 1uc3 n PHE 109 Cb 0.40 -0.97 -0.04 0.00 -0.94 0.00 0.00 39.48 37.94 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 -2.24 -2.76 -3.40 -1.08 6.02 0.64 -4.93 117.38 109.63 1uc3 n GLN 110 Ca 0.04 0.33 -0.38 0.00 -0.01 0.00 0.00 57.00 56.98 1uc3 n GLN 110 Cb 0.35 -4.64 -0.06 0.00 1.02 0.00 0.00 30.24 26.91 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 -3.71 4.97 -0.23 5.09 -7.23 -0.54 -4.99 120.40 113.76 1uc3 s VAL 111 Ca 0.35 0.97 -0.30 0.00 -1.81 0.00 0.00 61.98 61.20 1uc3 s VAL 111 Cb -0.20 -3.79 -0.07 0.00 0.56 0.00 0.00 36.38 32.88 1uc3 s VAL 111 CO 0.93 0.52 2.19 -0.67 -0.31 0.00 0.00 175.10 177.76 1uc3 n ASP 112 N 2.16 3.02 0.04 4.85 -0.08 -1.26 -4.80 116.55 120.48 1uc3 n ASP 112 Ca -0.12 0.33 0.03 0.00 -1.51 0.00 0.00 54.79 53.52 1uc3 n ASP 112 Cb 0.52 -1.47 0.17 0.00 2.34 0.00 0.00 41.12 42.67 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 8.45 0.04 0.24 -0.67 -0.04 -1.26 -2.95 135.00 138.80 1uc3 n PRO 113 Ca 0.32 0.53 0.11 0.00 -0.04 0.00 0.00 63.50 64.42 1uc3 n PRO 113 Cb 0.38 -1.62 0.54 0.00 -0.04 0.00 0.00 33.50 32.76 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 -2.03 -3.04 115.11 113.65 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 0.01 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.57 1uc3 h GLN 114 CO 0.00 0.18 -0.06 0.66 0.09 0.00 0.00 178.83 179.70 1uc3 n TYR 115 N -3.38 0.00 -0.08 0.06 4.01 -1.15 -3.86 117.16 112.75 1uc3 n TYR 115 Ca -0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.66 1uc3 n TYR 115 Cb 0.38 -0.43 -0.00 0.00 -0.31 0.00 0.00 39.34 38.98 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 0.03 0.23 0.00 -0.72 0.04 -1.77 -1.22 116.94 113.53 1uc3 h PHE 116 Ca 0.00 0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.72 1uc3 h PHE 116 Cb 0.46 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 1uc3 h PHE 116 CO 0.00 0.12 -0.29 1.57 -0.60 0.00 0.00 178.31 179.11 1uc3 h LYS 117 N 0.28 0.00 0.06 1.51 2.10 -1.80 -1.49 116.57 117.21 1uc3 h LYS 117 Ca 0.13 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.78 1uc3 h LYS 117 Cb 0.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.40 1uc3 h LYS 117 CO -0.11 0.29 -0.03 0.28 -2.00 0.00 0.00 179.45 177.88 1uc3 h VAL 118 N 0.00 1.22 -0.66 0.07 2.07 -1.51 -1.57 116.25 115.86 1uc3 h VAL 118 Ca -0.00 -1.00 -0.05 0.00 0.82 0.00 0.00 66.70 66.47 1uc3 h VAL 118 Cb 0.53 1.87 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 1uc3 h VAL 118 CO 0.04 0.25 0.22 0.25 0.02 0.00 0.00 177.57 178.34 1uc3 h LEU 119 N -0.53 0.96 -1.11 2.57 5.85 -1.16 -2.34 115.31 119.54 1uc3 h LEU 119 Ca -0.01 -0.20 0.08 0.00 0.84 0.00 0.00 57.88 58.59 1uc3 h LEU 119 Cb 0.47 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 1uc3 h LEU 119 CO 0.01 0.90 0.60 0.00 -0.34 0.00 0.00 178.44 179.62 1uc3 h ALA 120 N 1.09 1.52 -0.67 1.25 0.00 -1.27 -0.54 119.26 120.64 1uc3 h ALA 120 Ca 0.22 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1uc3 h ALA 120 Cb 0.28 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1uc3 h ALA 120 CO -0.01 0.32 0.36 0.00 0.00 0.00 0.00 179.25 179.92 1uc3 h ALA 121 N 1.51 1.36 -0.29 0.00 0.00 -0.73 -0.42 119.26 120.70 1uc3 h ALA 121 Ca 0.42 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 55.05 1uc3 h ALA 121 Cb 0.27 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1uc3 h ALA 121 CO -0.17 0.52 -0.49 0.28 0.00 0.00 0.00 179.25 179.39 1uc3 h VAL 122 N 0.94 1.29 -0.30 0.00 2.07 -0.92 -1.18 116.25 118.15 1uc3 h VAL 122 Ca 0.24 -1.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.07 1uc3 h VAL 122 Cb 0.04 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1uc3 h VAL 122 CO -0.04 0.54 0.14 0.40 0.02 0.00 0.00 177.57 178.64 1uc3 h ILE 123 N 0.61 1.15 -0.08 4.57 2.04 -0.88 -2.07 117.51 122.86 1uc3 h ILE 123 Ca 0.03 -0.43 0.02 0.00 1.00 0.00 0.00 64.86 65.47 1uc3 h ILE 123 Cb 1.06 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 1uc3 h ILE 123 CO 0.10 0.16 -0.03 0.00 0.00 0.00 0.00 178.15 178.38 1uc3 h ALA 124 N 1.00 0.04 0.00 1.87 0.00 -0.98 -0.33 119.26 120.86 1uc3 h ALA 124 Ca 0.10 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1uc3 h ALA 124 Cb 0.12 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1uc3 h ALA 124 CO -0.01 -0.50 -0.04 0.22 0.00 0.00 0.00 179.25 178.92 1uc3 h ASP 125 N -0.02 0.00 0.16 0.00 3.58 -1.10 0.99 116.42 120.03 1uc3 h ASP 125 Ca 0.04 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.24 1uc3 h ASP 125 Cb 0.08 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.15 1uc3 h ASP 125 CO -0.09 0.04 -1.14 0.74 -2.88 0.00 0.00 179.24 175.91 1uc3 h THR 126 N 0.00 1.33 0.03 2.25 2.02 -0.68 -3.30 112.91 114.55 1uc3 h THR 126 Ca -0.00 -2.54 -0.00 0.00 0.77 0.00 0.00 66.41 64.64 1uc3 h THR 126 Cb 0.09 3.04 0.00 0.00 -1.74 0.00 0.00 68.15 69.54 1uc3 h THR 126 CO 0.00 0.74 -0.02 0.58 0.37 0.00 0.00 175.52 177.20 1uc3 h VAL 127 N -0.23 1.40 -1.11 3.16 2.07 -0.74 -3.44 116.25 117.36 1uc3 h VAL 127 Ca -0.21 -1.69 -0.17 0.00 0.82 0.00 0.00 66.70 65.45 1uc3 h VAL 127 Cb 1.80 2.47 -0.18 0.00 -1.52 0.00 0.00 31.29 33.86 1uc3 h VAL 127 CO 0.16 0.41 -0.52 0.00 0.02 0.00 0.00 177.57 177.64 1uc3 s ALA 128 N -3.12 -1.90 0.16 1.67 0.00 0.31 -4.85 121.76 114.03 1uc3 s ALA 128 Ca -0.16 -0.45 -0.33 0.00 0.00 0.00 0.00 51.96 51.02 1uc3 s ALA 128 Cb -0.01 -2.64 -0.13 0.00 0.00 0.00 0.00 23.12 20.34 1uc3 s ALA 128 CO 0.61 -2.22 1.64 0.00 0.00 0.00 0.00 175.76 175.79 1uc3 n ALA 129 N 3.21 1.78 0.00 0.00 0.00 -1.13 -2.21 120.51 122.15 1uc3 n ALA 129 Ca 0.17 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1uc3 n ALA 129 Cb 0.55 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.59 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 3.63 2.41 3.69 0.00 0.00 -1.26 -5.01 105.19 108.64 1uc3 n GLY 130 Ca 0.17 -0.36 -0.52 0.00 0.00 0.00 0.00 46.02 45.31 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 1.11 2.87 0.05 1.61 2.03 -0.94 -4.87 116.55 118.41 1uc3 n ASP 131 Ca 0.00 1.03 -0.07 0.00 0.52 0.00 0.00 54.79 56.28 1uc3 n ASP 131 Cb 0.00 -1.27 0.10 0.00 -0.72 0.00 0.00 41.12 39.24 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 7.84 0.81 -0.78 -1.67 0.00 -1.95 -2.61 119.26 120.90 1uc3 h ALA 132 Ca -0.47 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 53.88 1uc3 h ALA 132 Cb 1.29 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 1uc3 h ALA 132 CO 0.94 0.70 0.33 0.78 0.00 0.00 0.00 179.25 181.99 1uc3 h GLY 133 N 1.28 1.24 1.09 0.00 0.00 -1.92 0.08 103.07 104.84 1uc3 h GLY 133 Ca 0.00 -0.65 -0.19 0.00 0.00 0.00 0.00 47.33 46.48 1uc3 h GLY 133 CO 0.09 0.62 -0.65 -2.75 0.00 0.00 0.00 176.54 173.85 1uc3 h PHE 134 N 1.13 0.99 -0.79 5.60 3.57 -1.87 -2.38 116.94 123.19 1uc3 h PHE 134 Ca 0.26 -0.41 0.01 0.00 3.53 0.00 0.00 57.97 61.36 1uc3 h PHE 134 Cb 0.19 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 1uc3 h PHE 134 CO 0.02 1.23 0.51 0.93 -2.23 0.00 0.00 178.31 178.77 1uc3 h GLU 135 N 0.46 1.04 -0.69 1.11 5.08 -1.22 -0.33 114.58 120.04 1uc3 h GLU 135 Ca -0.03 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1uc3 h GLU 135 Cb 1.28 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 1uc3 h GLU 135 CO 0.14 0.70 0.41 -0.22 -1.00 0.00 0.00 179.01 179.03 1uc3 h LYS 136 N 1.07 0.94 -0.52 2.33 3.64 -0.82 0.98 116.57 124.19 1uc3 h LYS 136 Ca 0.29 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1uc3 h LYS 136 Cb -0.11 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.49 1uc3 h LYS 136 CO -0.06 0.67 0.19 1.25 -2.27 0.00 0.00 179.45 179.24 1uc3 h LEU 137 N 0.94 0.73 -1.24 5.20 6.46 -0.76 -0.41 115.31 126.22 1uc3 h LEU 137 Ca 0.25 -0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 57.81 1uc3 h LEU 137 Cb -0.01 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 39.70 1uc3 h LEU 137 CO -0.04 0.71 0.35 0.24 -0.62 0.00 0.00 178.44 179.07 1uc3 h MET 138 N 0.70 0.87 -0.14 1.25 2.86 -0.47 -0.45 114.93 119.54 1uc3 h MET 138 Ca 0.17 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1uc3 h MET 138 Cb 0.22 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 1uc3 h MET 138 CO -0.01 0.64 0.06 0.77 1.06 0.00 0.00 176.91 179.42 1uc3 h SER 139 N 0.88 0.20 -0.65 1.22 0.02 -0.04 0.93 113.55 116.11 1uc3 h SER 139 Ca 0.23 -0.17 0.09 0.00 -0.84 0.00 0.00 61.79 61.09 1uc3 h SER 139 Cb 0.02 -0.05 -0.07 0.00 0.14 0.00 0.00 62.40 62.44 1uc3 h SER 139 CO -0.04 0.31 0.30 0.24 -1.14 0.00 0.00 176.83 176.51 1uc3 h MET 140 N 0.07 0.52 -0.10 3.45 2.07 -0.34 0.22 114.93 120.82 1uc3 h MET 140 Ca 0.05 -0.03 -0.02 0.00 -2.07 0.00 0.00 59.70 57.63 1uc3 h MET 140 Cb 0.18 -0.12 -0.00 0.00 -1.87 0.00 0.00 31.60 29.79 1uc3 h MET 140 CO -0.00 0.34 -0.01 0.82 1.07 0.00 0.00 176.91 179.13 1uc3 h ILE 141 N 0.53 1.27 -0.26 -1.22 2.04 -0.89 -2.36 117.51 116.62 1uc3 h ILE 141 Ca 0.32 -0.85 -0.06 0.00 1.00 0.00 0.00 64.86 65.26 1uc3 h ILE 141 Cb 0.33 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 1uc3 h ILE 141 CO -0.26 0.24 -0.10 0.00 0.00 0.00 0.00 178.15 178.03 1uc3 h ILE 143 N 0.41 1.26 -0.08 0.00 2.04 -0.52 -2.87 117.51 117.75 1uc3 h ILE 143 Ca 0.08 -1.10 -0.16 0.00 1.00 0.00 0.00 64.86 64.69 1uc3 h ILE 143 Cb 0.43 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1uc3 h ILE 143 CO 0.02 0.39 -0.63 -0.07 0.00 0.00 0.00 178.15 177.86 1uc3 h LEU 144 N 0.87 0.34 -1.79 1.44 3.38 -0.96 -3.05 115.31 115.54 1uc3 h LEU 144 Ca 0.16 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1uc3 h LEU 144 Cb 0.52 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1uc3 h LEU 144 CO 0.03 0.89 -0.03 -0.07 0.09 0.00 0.00 178.44 179.35 1uc3 h LEU 145 N 0.22 0.00 -2.53 1.67 3.38 -0.71 -2.27 115.31 115.07 1uc3 h LEU 145 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1uc3 h LEU 145 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1uc3 h LEU 145 CO 0.10 0.03 0.00 0.54 0.09 0.00 0.00 178.44 179.20 1uc3 n ARG 146 N -3.15 2.58 0.26 1.13 1.74 -1.10 -4.48 116.66 113.64 1uc3 n ARG 146 Ca -0.00 -2.41 0.13 0.00 -0.77 0.00 0.00 57.85 54.79 1uc3 n ARG 146 Cb 0.26 -1.51 0.72 0.00 -1.02 0.00 0.00 32.46 30.91 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 4.18 0.00 0.09 0.55 4.64 -1.34 -2.56 113.55 119.12 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 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1uc3 h SER 147 CO 0.00 0.12 -0.26 0.00 -0.87 0.00 0.00 176.83 175.82 1uc3 n ALA 148 N -2.27 3.09 1.79 5.18 0.00 -1.26 -5.09 120.51 121.95 1uc3 n ALA 148 Ca -0.02 -0.51 0.15 0.00 0.00 0.00 0.00 53.44 53.06 1uc3 n ALA 148 Cb 0.25 -1.00 0.77 0.00 0.00 0.00 0.00 19.45 19.47 1uc3 n ALA 148 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16