#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 5.01 0.22 0.52 1.01 -1.26 -4.92 121.20 121.78 1uc3 s ILE 2 Ca 0.00 1.27 0.11 0.00 0.00 0.00 0.00 60.65 62.03 1uc3 s ILE 2 Cb 0.00 -3.95 -0.05 0.00 0.01 0.00 0.00 42.46 38.47 1uc3 s ILE 2 CO 0.00 0.33 -0.19 0.68 0.00 0.00 0.00 174.94 175.77 1uc3 s VAL 3 N 0.35 2.62 -0.18 2.92 -7.23 -1.26 -5.02 120.40 112.61 1uc3 s VAL 3 Ca 0.33 -2.04 0.14 0.00 -1.81 0.00 0.00 61.98 58.59 1uc3 s VAL 3 Cb -0.17 -2.30 0.38 0.00 0.56 0.00 0.00 36.38 34.84 1uc3 s VAL 3 CO 0.16 -0.20 1.20 -0.90 -0.31 0.00 0.00 175.10 175.05 1uc3 n ASP 4 N -0.06 1.80 -3.87 4.85 5.68 -1.26 -4.42 116.55 119.27 1uc3 n ASP 4 Ca -0.10 -3.57 -0.08 0.00 -0.50 0.00 0.00 54.79 50.54 1uc3 n ASP 4 Cb 0.57 -0.49 -0.03 0.00 -1.14 0.00 0.00 41.12 40.03 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 -3.04 -0.23 0.34 -1.12 1.04 -1.26 -4.44 113.70 104.98 1uc3 s SER 5 Ca 0.36 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1uc3 s SER 5 Cb 0.34 0.69 0.00 0.00 0.10 0.00 0.00 66.02 67.15 1uc3 s SER 5 CO -0.05 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.50 1uc3 n GLY 6 N -0.43 -1.33 3.65 7.32 0.00 -1.26 -4.93 105.19 108.21 1uc3 n GLY 6 Ca -0.04 -1.23 -0.28 0.00 0.00 0.00 0.00 46.02 44.47 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 4.01 0.00 1.61 0.15 -1.26 -5.03 113.70 109.18 1uc3 s SER 7 Ca 0.00 -1.33 0.01 0.00 0.70 0.00 0.00 55.95 55.33 1uc3 s SER 7 Cb 0.00 -0.34 -0.01 0.00 -1.71 0.00 0.00 66.02 63.96 1uc3 s SER 7 CO 0.00 -0.50 -0.04 0.68 1.20 0.00 0.00 173.24 174.58 1uc3 s VAL 8 N -2.70 0.31 0.75 4.45 -7.23 -1.26 -5.14 120.40 109.58 1uc3 s VAL 8 Ca 0.34 -0.32 -0.15 0.00 -1.81 0.00 0.00 61.98 60.04 1uc3 s VAL 8 Cb 0.08 -0.30 0.03 0.00 0.56 0.00 0.00 36.38 36.76 1uc3 s VAL 8 CO 0.18 -0.01 1.11 0.00 -0.31 0.00 0.00 175.10 176.07 1uc3 n ALA 9 N 2.72 0.05 -1.15 1.32 0.00 -1.26 -4.93 120.51 117.25 1uc3 n ALA 9 Ca -0.14 -0.22 -0.33 0.00 0.00 0.00 0.00 53.44 52.75 1uc3 n ALA 9 Cb 0.58 -2.20 0.11 0.00 0.00 0.00 0.00 19.45 17.94 1uc3 n ALA 9 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1uc3 s PRO 10 N -3.66 1.84 0.13 0.00 0.02 -1.26 -4.96 135.00 127.11 1uc3 s PRO 10 Ca 0.75 1.61 -0.30 0.00 0.02 0.00 0.00 61.00 63.08 1uc3 s PRO 10 Cb -0.33 -1.81 -0.06 0.00 0.02 0.00 0.00 34.50 32.31 1uc3 s PRO 10 CO 0.49 -2.03 1.07 -0.51 -0.33 0.00 0.00 177.00 175.69 1uc3 s LEU 11 N -5.67 4.46 0.78 -5.54 1.43 -1.26 -5.04 118.68 107.84 1uc3 s LEU 11 Ca 0.70 1.97 -0.12 0.00 -1.03 0.00 0.00 54.13 55.65 1uc3 s LEU 11 Cb -0.25 -3.59 0.06 0.00 0.03 0.00 0.00 46.19 42.43 1uc3 s LEU 11 CO 0.50 -0.23 1.10 -0.94 0.23 0.00 0.00 176.35 177.02 1uc3 s SER 12 N 0.20 4.69 0.23 2.29 1.04 -1.26 -4.85 113.70 116.04 1uc3 s SER 12 Ca 0.50 1.23 -0.06 0.00 0.48 0.00 0.00 55.95 58.10 1uc3 s SER 12 Cb -0.27 -1.96 0.22 0.00 0.10 0.00 0.00 66.02 64.11 1uc3 s SER 12 CO 0.32 -1.84 1.78 0.00 0.98 0.00 0.00 173.24 174.49 1uc3 h ALA 13 N -1.00 1.07 -0.51 5.32 0.00 -1.99 -1.29 119.26 120.86 1uc3 h ALA 13 Ca -0.47 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.19 1uc3 h ALA 13 Cb 1.27 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1uc3 h ALA 13 CO 0.61 0.64 0.14 0.00 0.00 0.00 0.00 179.25 180.63 1uc3 h ALA 14 N 1.20 1.28 0.03 0.00 0.00 -1.99 -0.67 119.26 119.12 1uc3 h ALA 14 Ca 0.24 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1uc3 h ALA 14 Cb 0.27 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1uc3 h ALA 14 CO -0.01 0.51 -0.02 0.93 0.00 0.00 0.00 179.25 180.66 1uc3 h GLU 15 N 0.75 -0.04 -0.60 0.00 5.08 -1.81 -1.80 114.58 116.16 1uc3 h GLU 15 Ca 0.17 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.65 1uc3 h GLU 15 Cb 0.26 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.43 1uc3 h GLU 15 CO -0.00 0.46 0.11 0.87 -1.00 0.00 0.00 179.01 179.44 1uc3 h LYS 16 N -0.57 0.23 -0.57 2.33 1.57 -1.10 0.25 116.57 118.71 1uc3 h LYS 16 Ca -0.00 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1uc3 h LYS 16 Cb 0.52 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 1uc3 h LYS 16 CO 0.01 0.15 0.36 1.15 -0.57 0.00 0.00 179.45 180.55 1uc3 h THR 17 N 0.23 1.09 -0.54 -0.16 2.02 -1.10 -0.89 112.91 113.57 1uc3 h THR 17 Ca 0.31 -0.25 -0.07 0.00 0.77 0.00 0.00 66.41 67.18 1uc3 h THR 17 Cb 0.47 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 1uc3 h THR 17 CO -0.42 0.13 0.06 0.50 0.37 0.00 0.00 175.52 176.17 1uc3 h LYS 18 N 0.72 0.91 -0.39 6.66 3.11 -0.23 -2.92 116.57 124.44 1uc3 h LYS 18 Ca 0.22 -0.26 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 1uc3 h LYS 18 Cb -0.02 -0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 31.10 1uc3 h LYS 18 CO -0.08 0.90 0.25 0.82 -2.81 0.00 0.00 179.45 178.52 1uc3 h ILE 19 N 0.80 1.12 -0.78 2.00 2.04 -0.13 -1.80 117.51 120.76 1uc3 h ILE 19 Ca 0.16 -0.25 0.05 0.00 1.00 0.00 0.00 64.86 65.83 1uc3 h ILE 19 Cb 0.45 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 1uc3 h ILE 19 CO 0.02 0.11 0.48 0.03 0.00 0.00 0.00 178.15 178.79 1uc3 h ARG 20 N 0.52 0.87 0.01 2.37 3.08 -1.09 -0.81 114.38 119.33 1uc3 h ARG 20 Ca 0.14 -0.05 -0.21 0.00 0.07 0.00 0.00 59.98 59.93 1uc3 h ARG 20 Cb -0.02 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 1uc3 h ARG 20 CO -0.03 0.57 -0.91 0.66 -1.07 0.00 0.00 179.97 179.20 1uc3 h SER 21 N 0.90 0.31 0.60 7.04 4.64 -1.37 -1.83 113.55 123.84 1uc3 h SER 21 Ca 0.34 -0.26 -0.17 0.00 -0.47 0.00 0.00 61.79 61.23 1uc3 h SER 21 Cb 0.13 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 1uc3 h SER 21 CO -0.16 1.07 -0.75 0.00 -0.87 0.00 0.00 176.83 176.12 1uc3 h ALA 22 N 0.91 0.72 0.05 5.18 0.00 -1.11 -3.27 119.26 121.74 1uc3 h ALA 22 Ca -0.05 -0.66 -0.26 0.00 0.00 0.00 0.00 54.91 53.94 1uc3 h ALA 22 Cb 1.55 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.26 1uc3 h ALA 22 CO 0.14 0.87 -1.08 2.35 0.00 0.00 0.00 179.25 181.53 1uc3 h TRP 23 N 0.08 0.79 -0.65 0.00 2.91 -1.16 -3.38 115.95 114.54 1uc3 h TRP 23 Ca -0.02 -0.47 0.09 0.00 1.13 0.00 0.00 58.89 59.63 1uc3 h TRP 23 Cb 1.32 -0.08 -0.11 0.00 -0.51 0.00 0.00 29.16 29.78 1uc3 h TRP 23 CO 0.01 1.31 -0.44 0.00 -1.03 0.00 0.00 178.44 178.29 1uc3 h ALA 24 N 0.53 -0.29 -0.94 2.65 0.00 -1.37 -1.00 119.26 118.84 1uc3 h ALA 24 Ca -0.13 0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1uc3 h ALA 24 Cb 1.74 0.99 -0.07 0.00 0.00 0.00 0.00 17.79 20.45 1uc3 h ALA 24 CO 0.20 -0.81 0.59 -1.35 0.00 0.00 0.00 179.25 177.88 1uc3 h PRO 25 N -0.19 1.03 -0.15 0.00 0.11 -1.73 -1.24 132.00 129.83 1uc3 h PRO 25 Ca 0.19 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.23 1uc3 h PRO 25 Cb 0.56 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 1uc3 h PRO 25 CO -0.73 0.68 0.03 0.28 -0.21 0.00 0.00 178.00 178.05 1uc3 h VAL 26 N 1.06 1.21 -0.19 3.15 2.07 -1.48 -3.23 116.25 118.84 1uc3 h VAL 26 Ca 0.42 -0.69 -0.13 0.00 0.82 0.00 0.00 66.70 67.12 1uc3 h VAL 26 Cb 0.21 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1uc3 h VAL 26 CO -0.19 0.21 -0.44 0.22 0.02 0.00 0.00 177.57 177.39 1uc3 h TYR 27 N 0.04 0.56 0.00 1.57 5.03 -0.95 -2.45 116.97 120.78 1uc3 h TYR 27 Ca 0.05 -0.17 0.00 0.00 2.58 0.00 0.00 58.73 61.19 1uc3 h TYR 27 Cb 0.29 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 38.45 1uc3 h TYR 27 CO 0.02 0.83 0.00 -1.13 -1.32 0.00 0.00 178.16 176.55 1uc3 n SER 28 N -4.01 0.59 -0.98 -2.11 3.41 -0.49 -0.33 113.62 109.69 1uc3 n SER 28 Ca -0.02 0.77 0.03 0.00 -0.26 0.00 0.00 58.87 59.39 1uc3 n SER 28 Cb 0.53 -0.85 0.15 0.00 -0.26 0.00 0.00 64.21 63.78 1uc3 n SER 28 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1uc3 n ASN 29 N -2.28 1.87 -0.35 4.04 5.15 -0.96 -4.92 115.26 117.81 1uc3 n ASN 29 Ca -0.01 -3.45 0.13 0.00 -0.60 0.00 0.00 54.58 50.64 1uc3 n ASN 29 Cb 0.04 -0.46 0.32 0.00 -0.53 0.00 0.00 39.78 39.15 1uc3 n ASN 29 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 1uc3 h TYR 30 N 1.16 1.06 -0.95 1.20 -0.00 -0.27 0.21 116.97 119.38 1uc3 h TYR 30 Ca -0.02 0.03 0.08 0.00 0.00 0.00 0.00 58.73 58.83 1uc3 h TYR 30 Cb 1.24 -0.32 -0.07 0.00 0.00 0.00 0.00 36.73 37.58 1uc3 h TYR 30 CO 0.64 0.26 0.60 0.93 -0.00 0.00 0.00 178.16 180.59 1uc3 h GLU 31 N 0.78 1.02 0.03 0.10 3.07 -1.89 1.22 114.58 118.91 1uc3 h GLU 31 Ca 0.57 -0.06 -0.10 0.00 -0.50 0.00 0.00 59.36 59.27 1uc3 h GLU 31 Cb 0.86 -0.23 -0.00 0.00 -0.84 0.00 0.00 28.75 28.54 1uc3 h GLU 31 CO -0.36 0.68 -0.48 1.15 -1.40 0.00 0.00 179.01 178.59 1uc3 h THR 32 N 1.05 1.53 0.19 1.13 2.02 -1.76 -3.22 112.91 113.86 1uc3 h THR 32 Ca 0.43 -2.35 0.00 0.00 0.77 0.00 0.00 66.41 65.26 1uc3 h THR 32 Cb 0.26 3.09 -0.03 0.00 -1.74 0.00 0.00 68.15 69.73 1uc3 h THR 32 CO -0.20 0.58 -0.43 0.28 0.37 0.00 0.00 175.52 176.12 1uc3 h SER 33 N -0.84 -1.25 -0.51 4.18 0.02 -0.30 -1.51 113.55 113.34 1uc3 h SER 33 Ca -0.11 0.12 0.10 0.00 -0.84 0.00 0.00 61.79 61.06 1uc3 h SER 33 Cb 1.23 0.45 -0.08 0.00 0.14 0.00 0.00 62.40 64.13 1uc3 h SER 33 CO -0.01 -0.48 0.01 1.23 -1.14 0.00 0.00 176.83 176.44 1uc3 h GLY 34 N -0.68 0.54 0.93 -3.77 0.00 0.13 -0.86 103.07 99.36 1uc3 h GLY 34 Ca -0.02 0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 1uc3 h GLY 34 CO -0.18 -0.14 -0.11 -2.08 0.00 0.00 0.00 176.54 174.03 1uc3 h VAL 35 N 0.13 0.77 -0.85 4.60 2.07 -1.53 -0.97 116.25 120.46 1uc3 h VAL 35 Ca 0.26 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.88 1uc3 h VAL 35 Cb 0.39 0.77 -0.08 0.00 -1.52 0.00 0.00 31.29 30.85 1uc3 h VAL 35 CO -0.42 0.00 0.49 0.44 0.02 0.00 0.00 177.57 178.10 1uc3 h ASP 36 N -0.27 0.69 0.02 0.57 3.32 -0.73 0.32 116.42 120.34 1uc3 h ASP 36 Ca -0.01 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1uc3 h ASP 36 Cb 0.23 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1uc3 h ASP 36 CO 0.01 0.38 -0.01 0.40 -1.72 0.00 0.00 179.24 178.30 1uc3 h ILE 37 N 0.80 1.07 -0.39 0.35 2.04 -0.84 -0.71 117.51 119.83 1uc3 h ILE 37 Ca 0.42 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 65.94 1uc3 h ILE 37 Cb 0.41 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 1uc3 h ILE 37 CO -0.26 0.07 0.06 0.25 0.00 0.00 0.00 178.15 178.27 1uc3 h LEU 38 N -0.16 0.62 -0.10 1.44 5.85 -0.45 -1.10 115.31 121.42 1uc3 h LEU 38 Ca -0.00 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1uc3 h LEU 38 Cb 0.15 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 1uc3 h LEU 38 CO 0.01 0.73 0.06 0.58 -0.34 0.00 0.00 178.44 179.47 1uc3 h VAL 39 N 0.49 1.04 -0.41 1.05 2.07 -0.39 0.22 116.25 120.32 1uc3 h VAL 39 Ca 0.12 -0.09 0.08 0.00 0.82 0.00 0.00 66.70 67.63 1uc3 h VAL 39 Cb 0.37 0.93 -0.07 0.00 -1.52 0.00 0.00 31.29 30.99 1uc3 h VAL 39 CO 0.01 0.04 -0.06 0.50 0.02 0.00 0.00 177.57 178.07 1uc3 h LYS 40 N 0.11 0.04 -0.13 1.57 3.64 -1.01 -1.34 116.57 119.45 1uc3 h LYS 40 Ca 0.03 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1uc3 h LYS 40 Cb 0.00 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1uc3 h LYS 40 CO -0.01 0.03 0.07 0.35 -2.27 0.00 0.00 179.45 177.62 1uc3 h PHE 41 N 0.04 0.18 0.43 1.91 3.57 -0.71 -2.88 116.94 119.49 1uc3 h PHE 41 Ca 0.20 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1uc3 h PHE 41 Cb 0.30 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 1uc3 h PHE 41 CO -0.33 0.21 -0.40 0.35 -2.23 0.00 0.00 178.31 175.92 1uc3 h PHE 42 N 0.10 -1.10 -0.11 0.41 3.57 -0.10 -2.48 116.94 117.23 1uc3 h PHE 42 Ca 0.05 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.58 1uc3 h PHE 42 Cb 0.09 0.42 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 1uc3 h PHE 42 CO -0.04 -0.54 0.10 1.79 -2.23 0.00 0.00 178.31 177.40 1uc3 h THR 43 N -0.82 0.63 -0.29 4.41 1.35 -1.34 -2.42 112.91 114.43 1uc3 h THR 43 Ca -0.06 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 1uc3 h THR 43 Cb 0.70 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1uc3 h THR 43 CO -0.03 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 173.70 1uc3 n SER 44 N -4.04 3.22 -3.26 5.36 3.41 -1.09 -4.55 113.62 112.67 1uc3 n SER 44 Ca -0.00 -1.97 -0.25 0.00 -0.26 0.00 0.00 58.87 56.39 1uc3 n SER 44 Cb 0.21 -0.18 -0.07 0.00 -0.26 0.00 0.00 64.21 63.91 1uc3 n SER 44 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1uc3 n THR 45 N 1.37 0.14 -0.28 6.66 -1.04 -0.91 -4.99 114.28 115.23 1uc3 n THR 45 Ca 0.18 -4.33 0.10 0.00 -2.04 0.00 0.00 64.05 57.96 1uc3 n THR 45 Cb 0.59 -1.99 0.24 0.00 -1.82 0.00 0.00 70.33 67.34 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 4.10 0.18 0.00 -2.82 0.11 -1.80 0.42 132.00 132.19 1uc3 h PRO 46 Ca 0.11 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1uc3 h PRO 46 Cb 0.82 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1uc3 h PRO 46 CO 0.56 0.12 0.00 0.00 -0.21 0.00 0.00 178.00 178.47 1uc3 n ALA 47 N -2.77 1.27 -0.07 -0.75 0.00 -1.26 -2.08 120.51 114.85 1uc3 n ALA 47 Ca 0.18 0.02 -0.07 0.00 0.00 0.00 0.00 53.44 53.57 1uc3 n ALA 47 Cb 0.60 -1.15 -0.15 0.00 0.00 0.00 0.00 19.45 18.75 1uc3 n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uc3 n ALA 48 N -1.56 1.65 -0.35 0.00 0.00 0.13 -4.55 120.51 115.82 1uc3 n ALA 48 Ca 0.01 -1.11 0.26 0.00 0.00 0.00 0.00 53.44 52.60 1uc3 n ALA 48 Cb 0.08 -0.40 0.51 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 0.29 0.00 0.00 4.20 -1.33 0.08 115.11 118.34 1uc3 h GLN 49 Ca -0.43 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1uc3 h GLN 49 Cb 2.05 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.76 1uc3 h GLN 49 CO 0.04 0.19 0.00 -0.85 -0.67 0.00 0.00 178.83 177.54 1uc3 n GLU 50 N -4.92 0.00 -0.02 1.46 0.28 -1.26 -1.70 120.64 114.49 1uc3 n GLU 50 Ca 0.32 0.42 0.13 0.00 -0.16 0.00 0.00 57.16 57.87 1uc3 n GLU 50 Cb 1.05 -1.51 0.56 0.00 1.43 0.00 0.00 31.44 32.97 1uc3 n GLU 50 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1uc3 n PHE 51 N -1.51 0.05 -3.51 -1.84 3.72 0.01 -4.31 117.46 110.07 1uc3 n PHE 51 Ca 0.01 -0.03 -0.27 0.00 -0.05 0.00 0.00 57.45 57.11 1uc3 n PHE 51 Cb 0.06 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.51 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 -0.08 3.58 -0.32 1.38 3.01 -0.69 -4.94 117.46 119.41 1uc3 n PHE 52 Ca 0.19 -4.17 0.19 0.00 1.01 0.00 0.00 57.45 54.66 1uc3 n PHE 52 Cb 0.28 -0.58 0.45 0.00 -0.01 0.00 0.00 39.48 39.61 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 4.42 0.50 0.00 -1.08 0.11 -1.82 0.12 132.00 134.25 1uc3 h PRO 53 Ca 0.19 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1uc3 h PRO 53 Cb 0.68 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1uc3 h PRO 53 CO 0.82 0.33 0.00 1.63 -0.21 0.00 0.00 178.00 180.57 1uc3 n LYS 54 N -4.69 0.14 -0.05 1.05 5.02 -1.26 -1.39 118.16 116.98 1uc3 n LYS 54 Ca 0.24 0.48 0.11 0.00 -2.02 0.00 0.00 58.31 57.12 1uc3 n LYS 54 Cb 0.76 -1.82 0.12 0.00 -0.02 0.00 0.00 35.03 34.07 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 -2.09 0.13 -0.66 2.13 3.01 0.40 -4.93 117.46 115.45 1uc3 n PHE 55 Ca 0.01 -0.07 -0.24 0.00 1.01 0.00 0.00 57.45 58.16 1uc3 n PHE 55 Cb 0.14 -0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.58 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 1.30 0.00 0.00 -1.08 4.81 -0.49 -2.55 118.16 120.16 1uc3 n LYS 56 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 1uc3 n LYS 56 Cb 0.57 -0.55 0.00 0.00 0.02 0.00 0.00 35.03 35.07 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 0.82 2.29 1.25 3.14 0.00 -1.26 -4.96 105.19 106.47 1uc3 n GLY 57 Ca 0.09 -0.20 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 1uc3 n GLY 57 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1uc3 n MET 58 N 0.00 0.00 0.00 1.61 2.81 -1.06 -4.84 117.12 115.64 1uc3 n MET 58 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1uc3 n MET 58 Cb 0.00 -0.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.98 1uc3 n MET 58 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1uc3 n THR 59 N 0.72 0.00 -3.23 2.03 -2.24 -1.26 -5.03 114.28 105.27 1uc3 n THR 59 Ca 0.08 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.47 1uc3 n THR 59 Cb 0.02 0.97 -0.06 0.00 -2.10 0.00 0.00 70.33 69.16 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 0.00 7.04 0.36 3.42 0.15 -1.26 -4.86 113.70 118.55 1uc3 s SER 60 Ca 0.00 1.23 0.08 0.00 0.70 0.00 0.00 55.95 57.96 1uc3 s SER 60 Cb 0.00 -2.37 0.68 0.00 -1.71 0.00 0.00 66.02 62.62 1uc3 s SER 60 CO 0.00 0.20 1.86 0.00 1.20 0.00 0.00 173.24 176.50 1uc3 h ALA 61 N 5.01 1.39 -0.42 5.45 0.00 -1.98 -1.11 119.26 127.60 1uc3 h ALA 61 Ca -0.48 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.06 1uc3 h ALA 61 Cb 1.21 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1uc3 h ALA 61 CO 0.66 0.42 -0.25 -0.44 0.00 0.00 0.00 179.25 179.64 1uc3 h ASP 62 N 0.27 0.90 -0.07 0.00 5.19 -2.00 -2.06 116.42 118.67 1uc3 h ASP 62 Ca 0.05 -0.35 -0.05 0.00 -0.62 0.00 0.00 57.03 56.06 1uc3 h ASP 62 Cb 0.46 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.73 1uc3 h ASP 62 CO 0.03 1.10 -0.16 1.56 -3.12 0.00 0.00 179.24 178.66 1uc3 h GLN 63 N 0.76 0.22 -0.72 3.56 4.20 -1.90 -3.19 115.11 118.04 1uc3 h GLN 63 Ca 0.09 -0.15 0.10 0.00 0.06 0.00 0.00 58.65 58.76 1uc3 h GLN 63 Cb 0.80 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.52 1uc3 h GLN 63 CO 0.07 0.75 0.34 -0.07 -0.67 0.00 0.00 178.83 179.25 1uc3 h LEU 64 N -0.27 0.42 -1.51 1.46 3.38 -1.18 -0.82 115.31 116.79 1uc3 h LEU 64 Ca -0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1uc3 h LEU 64 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1uc3 h LEU 64 CO 0.03 0.23 0.00 0.11 0.09 0.00 0.00 178.44 178.90 1uc3 h LYS 65 N 0.57 0.00 -0.16 1.13 1.57 -1.42 -2.34 116.57 115.92 1uc3 h LYS 65 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1uc3 h LYS 65 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1uc3 h LYS 65 CO -0.30 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.21 1uc3 n LYS 66 N -2.87 2.26 -3.20 3.15 5.02 -0.35 -4.88 118.16 117.28 1uc3 n LYS 66 Ca 0.00 -1.86 -0.41 0.00 -2.02 0.00 0.00 58.31 54.02 1uc3 n LYS 66 Cb 0.25 -1.48 -0.07 0.00 -0.02 0.00 0.00 35.03 33.71 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 -1.79 6.36 0.58 4.39 0.15 -0.88 -4.94 113.70 117.56 1uc3 s SER 67 Ca 0.33 0.05 0.27 0.00 0.70 0.00 0.00 55.95 57.31 1uc3 s SER 67 Cb 0.21 -2.29 1.62 0.00 -1.71 0.00 0.00 66.02 63.85 1uc3 s SER 67 CO 0.31 -0.50 2.12 0.00 1.20 0.00 0.00 173.24 176.37 1uc3 h ALA 68 N 8.43 1.84 -0.17 5.45 0.00 -1.90 -0.30 119.26 132.62 1uc3 h ALA 68 Ca -0.27 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1uc3 h ALA 68 Cb 1.12 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1uc3 h ALA 68 CO 0.79 -0.24 -0.03 -0.44 0.00 0.00 0.00 179.25 179.33 1uc3 h ASP 69 N 0.00 0.32 0.27 0.00 3.32 -1.93 -1.55 116.42 116.85 1uc3 h ASP 69 Ca 0.08 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 1uc3 h ASP 69 Cb 0.39 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1uc3 h ASP 69 CO -0.00 0.59 -0.13 0.58 -1.72 0.00 0.00 179.24 178.56 1uc3 h VAL 70 N 0.04 0.74 -0.34 -1.35 2.07 -1.35 -1.80 116.25 114.26 1uc3 h VAL 70 Ca 0.04 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.55 1uc3 h VAL 70 Cb 0.44 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1uc3 h VAL 70 CO 0.01 0.01 0.13 0.03 0.02 0.00 0.00 177.57 177.77 1uc3 h ARG 71 N -0.39 0.27 -1.00 1.57 3.08 -1.30 0.41 114.38 117.01 1uc3 h ARG 71 Ca -0.04 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.06 1uc3 h ARG 71 Cb 0.30 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.22 1uc3 h ARG 71 CO 0.06 0.18 0.65 2.35 -1.07 0.00 0.00 179.97 182.14 1uc3 h TRP 72 N 0.28 1.21 0.00 3.04 -0.00 -1.23 0.50 115.95 119.75 1uc3 h TRP 72 Ca 0.15 0.03 -0.00 0.00 -0.00 0.00 0.00 58.89 59.07 1uc3 h TRP 72 Cb 0.12 -0.40 0.00 0.00 -0.00 0.00 0.00 29.16 28.88 1uc3 h TRP 72 CO -0.13 0.64 -0.00 1.25 -0.00 0.00 0.00 178.44 180.20 1uc3 h HIS 73 N 1.20 -0.01 -0.05 2.65 2.76 -0.38 -2.06 115.15 119.26 1uc3 h HIS 73 Ca 0.43 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.57 1uc3 h HIS 73 Cb 0.13 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.08 1uc3 h HIS 73 CO -0.00 0.38 -0.10 0.00 -1.30 0.00 0.00 177.93 176.91 1uc3 h ALA 74 N 0.60 1.75 -0.04 5.26 0.00 0.27 -2.00 119.26 125.10 1uc3 h ALA 74 Ca -0.00 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 1uc3 h ALA 74 Cb 0.39 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1uc3 h ALA 74 CO 0.00 0.19 -0.71 0.93 0.00 0.00 0.00 179.25 179.66 1uc3 h GLU 75 N 0.07 0.23 -0.04 0.00 5.08 0.14 -2.50 114.58 117.56 1uc3 h GLU 75 Ca 0.02 -0.19 -0.21 0.00 -1.00 0.00 0.00 59.36 57.98 1uc3 h GLU 75 Cb 0.22 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1uc3 h GLU 75 CO 0.01 0.84 -0.85 0.00 -1.00 0.00 0.00 179.01 178.02 1uc3 h ARG 76 N 0.16 0.44 0.49 2.33 3.08 -0.84 -3.01 114.38 117.02 1uc3 h ARG 76 Ca -0.02 -0.42 -0.02 0.00 0.07 0.00 0.00 59.98 59.59 1uc3 h ARG 76 Cb 1.26 0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.42 1uc3 h ARG 76 CO 0.11 1.07 -0.24 0.82 -1.07 0.00 0.00 179.97 180.66 1uc3 h ILE 77 N 0.27 0.43 0.00 2.04 2.04 -1.34 -2.08 117.51 118.88 1uc3 h ILE 77 Ca -0.06 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1uc3 h ILE 77 Cb 1.46 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 1uc3 h ILE 77 CO 0.15 0.05 0.00 -0.29 0.00 0.00 0.00 178.15 178.06 1uc3 h ILE 78 N -0.91 0.00 0.00 -0.67 2.10 -1.57 -0.11 117.51 116.35 1uc3 h ILE 78 Ca -0.07 -0.13 -0.13 0.00 1.08 0.00 0.00 64.86 65.61 1uc3 h ILE 78 Cb 0.59 1.04 -0.02 0.00 -1.09 0.00 0.00 36.82 37.35 1uc3 h ILE 78 CO 0.11 0.00 -0.99 0.78 -1.08 0.00 0.00 178.15 176.97 1uc3 h ASN 79 N 0.00 0.00 -0.27 2.19 2.35 -1.38 -1.95 115.58 116.52 1uc3 h ASN 79 Ca 0.00 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.64 1uc3 h ASN 79 Cb 0.14 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 1uc3 h ASN 79 CO 0.00 0.50 -0.27 0.00 -1.65 0.00 0.00 177.43 176.02 1uc3 h ALA 80 N 1.50 0.40 -0.55 -0.83 0.00 -0.32 -1.49 119.26 117.98 1uc3 h ALA 80 Ca -0.08 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 1uc3 h ALA 80 Cb 1.46 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1uc3 h ALA 80 CO 0.05 0.40 0.05 0.28 0.00 0.00 0.00 179.25 180.03 1uc3 h VAL 81 N 0.40 1.26 -0.96 0.00 2.07 -1.40 -2.59 116.25 115.03 1uc3 h VAL 81 Ca 0.04 -1.03 0.05 0.00 0.82 0.00 0.00 66.70 66.58 1uc3 h VAL 81 Cb 0.83 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 31.40 1uc3 h VAL 81 CO 0.07 0.37 0.62 -1.13 0.02 0.00 0.00 177.57 177.52 1uc3 h ASN 82 N 0.82 1.01 -0.66 0.57 -1.24 -1.13 -1.01 115.58 113.94 1uc3 h ASN 82 Ca 0.16 -0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.11 1uc3 h ASN 82 Cb 0.47 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 39.27 1uc3 h ASN 82 CO 0.02 0.67 0.19 0.44 -1.29 0.00 0.00 177.43 177.46 1uc3 h ASP 83 N 1.16 0.98 -0.40 1.15 3.32 -1.00 -1.70 116.42 119.93 1uc3 h ASP 83 Ca 0.40 -0.18 -0.06 0.00 0.02 0.00 0.00 57.03 57.20 1uc3 h ASP 83 Cb 0.09 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1uc3 h ASP 83 CO -0.14 0.93 0.02 0.00 -1.72 0.00 0.00 179.24 178.33 1uc3 h ALA 84 N 1.20 0.54 -0.60 3.45 0.00 -0.93 -2.04 119.26 120.88 1uc3 h ALA 84 Ca 0.22 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1uc3 h ALA 84 Cb 0.31 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1uc3 h ALA 84 CO -0.00 0.30 0.35 0.28 0.00 0.00 0.00 179.25 180.17 1uc3 h VAL 85 N 0.53 1.18 0.00 0.00 2.07 -0.90 -1.58 116.25 117.55 1uc3 h VAL 85 Ca 0.12 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1uc3 h VAL 85 Cb 0.45 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1uc3 h VAL 85 CO 0.02 0.19 0.00 0.00 0.02 0.00 0.00 177.57 177.80 1uc3 n ALA 86 N -2.30 2.22 -0.25 1.67 0.00 -0.67 -3.13 120.51 118.04 1uc3 n ALA 86 Ca 0.04 -0.11 0.06 0.00 0.00 0.00 0.00 53.44 53.44 1uc3 n ALA 86 Cb 0.07 -1.40 0.18 0.00 0.00 0.00 0.00 19.45 18.30 1uc3 n ALA 86 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1uc3 n SER 87 N -1.34 3.11 0.27 0.00 2.88 -0.62 -4.69 113.62 113.24 1uc3 n SER 87 Ca 0.10 -2.07 0.16 0.00 -1.33 0.00 0.00 58.87 55.74 1uc3 n SER 87 Cb 0.22 -0.28 0.87 0.00 -0.75 0.00 0.00 64.21 64.27 1uc3 n SER 87 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1uc3 h MET 88 N 2.26 0.00 -0.50 -1.46 2.86 -1.43 -0.59 114.93 116.08 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 0.81 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.47 1uc3 h MET 88 CO 0.02 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 177.74 1uc3 n ASP 89 N -2.70 4.80 -3.09 1.22 8.00 -1.26 -4.57 116.55 118.96 1uc3 n ASP 89 Ca -0.02 -2.76 -0.18 0.00 0.71 0.00 0.00 54.79 52.55 1uc3 n ASP 89 Cb 0.15 -0.59 -0.04 0.00 -0.02 0.00 0.00 41.12 40.62 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 0.46 -1.48 -0.34 -2.24 -0.08 -0.23 -5.00 116.55 107.64 1uc3 n ASP 90 Ca 0.25 -2.72 0.07 0.00 -1.51 0.00 0.00 54.79 50.88 1uc3 n ASP 90 Cb 0.98 0.38 0.24 0.00 2.34 0.00 0.00 41.12 45.06 1uc3 n ASP 90 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1uc3 h THR 91 N 3.93 0.86 -0.74 5.18 2.02 -1.81 -1.13 112.91 121.23 1uc3 h THR 91 Ca 0.11 -0.30 0.09 0.00 0.77 0.00 0.00 66.41 67.08 1uc3 h THR 91 Cb 0.97 -0.09 -0.07 0.00 -1.74 0.00 0.00 68.15 67.22 1uc3 h THR 91 CO 0.29 0.16 0.39 -0.08 0.37 0.00 0.00 175.52 176.65 1uc3 h GLU 92 N 0.88 0.65 -0.05 6.66 4.81 -1.94 -0.43 114.58 125.15 1uc3 h GLU 92 Ca 0.49 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.57 1uc3 h GLU 92 Cb 0.55 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.79 1uc3 h GLU 92 CO -0.29 0.43 -0.38 -0.22 -0.73 0.00 0.00 179.01 177.81 1uc3 h LYS 93 N 0.67 0.35 -0.69 1.92 3.64 -1.58 -2.27 116.57 118.61 1uc3 h LYS 93 Ca 0.36 -0.31 0.04 0.00 -1.27 0.00 0.00 60.65 59.47 1uc3 h LYS 93 Cb 0.35 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.20 1uc3 h LYS 93 CO -0.25 0.96 0.42 1.98 -2.27 0.00 0.00 179.45 180.29 1uc3 h MET 94 N -0.16 0.78 0.01 1.90 4.05 -1.18 -2.91 114.93 117.42 1uc3 h MET 94 Ca -0.03 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.34 1uc3 h MET 94 Cb 1.06 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.68 1uc3 h MET 94 CO 0.08 0.51 -0.00 0.77 0.23 0.00 0.00 176.91 178.50 1uc3 h SER 95 N 0.80 -0.01 -0.41 1.39 0.02 -1.12 -2.86 113.55 111.36 1uc3 h SER 95 Ca 0.29 -0.21 0.08 0.00 -0.84 0.00 0.00 61.79 61.11 1uc3 h SER 95 Cb 0.08 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.54 1uc3 h SER 95 CO -0.13 0.21 -0.14 -0.03 -1.14 0.00 0.00 176.83 175.60 1uc3 h MET 96 N -0.22 -0.04 -0.42 3.45 -1.53 -1.28 0.21 114.93 115.10 1uc3 h MET 96 Ca -0.00 0.00 -0.06 0.00 -3.44 0.00 0.00 59.70 56.20 1uc3 h MET 96 Cb 0.22 0.01 -0.02 0.00 -0.55 0.00 0.00 31.60 31.25 1uc3 h MET 96 CO 0.00 -0.03 -0.00 0.87 0.14 0.00 0.00 176.91 177.89 1uc3 h LYS 97 N -0.04 0.69 0.04 0.39 1.57 -1.55 -2.07 116.57 115.59 1uc3 h LYS 97 Ca 0.20 -0.17 -0.22 0.00 -1.87 0.00 0.00 60.65 58.59 1uc3 h LYS 97 Cb 0.35 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1uc3 h LYS 97 CO -0.45 0.71 -1.02 -0.07 -0.57 0.00 0.00 179.45 178.05 1uc3 h LEU 98 N 0.65 0.26 -0.40 2.94 3.38 -1.15 -1.83 115.31 119.14 1uc3 h LEU 98 Ca 0.13 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1uc3 h LEU 98 Cb 0.41 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1uc3 h LEU 98 CO 0.02 1.12 0.17 0.03 0.09 0.00 0.00 178.44 179.86 1uc3 h ARG 99 N 0.08 0.60 -0.52 1.13 3.08 -0.42 0.51 114.38 118.83 1uc3 h ARG 99 Ca -0.06 -0.10 0.02 0.00 0.07 0.00 0.00 59.98 59.90 1uc3 h ARG 99 Cb 1.71 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.63 1uc3 h ARG 99 CO 0.15 0.56 0.32 0.22 -1.07 0.00 0.00 179.97 180.15 1uc3 h ASP 100 N 0.51 0.54 0.19 7.04 3.58 -1.35 -0.53 116.42 126.39 1uc3 h ASP 100 Ca 0.14 -0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.53 1uc3 h ASP 100 Cb 0.18 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 1uc3 h ASP 100 CO -0.01 0.38 -0.22 0.25 -2.88 0.00 0.00 179.24 176.76 1uc3 h LEU 101 N 0.65 0.06 -0.16 2.28 5.85 -0.66 -2.33 115.31 121.00 1uc3 h LEU 101 Ca 0.20 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1uc3 h LEU 101 Cb -0.01 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1uc3 h LEU 101 CO -0.08 0.28 0.02 -1.28 -0.34 0.00 0.00 178.44 177.04 1uc3 h SER 102 N 0.06 0.27 -0.97 1.25 0.87 0.15 -2.25 113.55 112.92 1uc3 h SER 102 Ca 0.01 -0.28 0.04 0.00 -1.23 0.00 0.00 61.79 60.33 1uc3 h SER 102 Cb 0.42 -0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 62.25 1uc3 h SER 102 CO 0.03 0.48 0.63 1.23 -0.53 0.00 0.00 176.83 178.67 1uc3 h GLY 103 N 0.04 1.42 1.00 5.77 0.00 -0.81 -0.30 103.07 110.19 1uc3 h GLY 103 Ca 0.05 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 1uc3 h GLY 103 CO 0.01 0.41 0.33 0.50 0.00 0.00 0.00 176.54 177.78 1uc3 h LYS 104 N 1.22 0.96 -0.20 4.80 1.57 -1.29 0.40 116.57 124.04 1uc3 h LYS 104 Ca 0.39 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 1uc3 h LYS 104 Cb 0.01 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1uc3 h LYS 104 CO -0.13 0.76 0.06 0.45 -0.57 0.00 0.00 179.45 180.02 1uc3 h HIS 105 N 0.93 0.33 -0.14 -1.35 3.86 -0.69 -0.44 115.15 117.64 1uc3 h HIS 105 Ca 0.23 -0.04 -0.15 0.00 -1.16 0.00 0.00 60.37 59.25 1uc3 h HIS 105 Cb 0.11 -0.09 0.01 0.00 1.06 0.00 0.00 27.41 28.49 1uc3 h HIS 105 CO 0.00 0.42 -0.51 0.00 0.86 0.00 0.00 177.93 178.70 1uc3 h ALA 106 N 0.87 0.26 0.02 2.45 0.00 -0.98 0.17 119.26 122.06 1uc3 h ALA 106 Ca 0.06 -0.50 -0.28 0.00 0.00 0.00 0.00 54.91 54.19 1uc3 h ALA 106 Cb 0.25 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1uc3 h ALA 106 CO -0.00 0.44 -1.55 0.87 0.00 0.00 0.00 179.25 179.02 1uc3 h LYS 107 N 0.25 0.04 0.00 0.00 1.57 -0.99 -3.37 116.57 114.08 1uc3 h LYS 107 Ca -0.02 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 1uc3 h LYS 107 Cb 1.14 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 1uc3 h LYS 107 CO 0.11 0.72 -0.76 0.43 -0.57 0.00 0.00 179.45 179.37 1uc3 n SER 108 N -3.18 1.19 0.19 0.86 7.64 -0.27 -4.67 113.62 115.37 1uc3 n SER 108 Ca -0.14 0.18 0.14 0.00 1.01 0.00 0.00 58.87 60.06 1uc3 n SER 108 Cb 1.03 -0.42 0.49 0.00 -1.01 0.00 0.00 64.21 64.29 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 -0.37 0.00 -6.52 1.43 0.04 -1.35 -3.47 116.94 106.70 1uc3 h PHE 109 Ca -0.09 0.00 -0.51 0.00 2.80 0.00 0.00 57.97 60.18 1uc3 h PHE 109 Cb 0.65 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.74 1uc3 h PHE 109 CO -0.12 0.00 -0.89 1.04 -0.60 0.00 0.00 178.31 177.74 1uc3 n GLN 110 N -2.64 -3.20 -3.29 1.51 6.02 0.53 -4.93 117.38 111.39 1uc3 n GLN 110 Ca 0.03 0.39 -0.37 0.00 -0.01 0.00 0.00 57.00 57.03 1uc3 n GLN 110 Cb 0.34 -4.50 -0.06 0.00 1.02 0.00 0.00 30.24 27.04 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 -3.97 4.76 -0.09 5.09 -7.23 -0.73 -5.01 120.40 113.22 1uc3 s VAL 111 Ca 0.01 1.10 -0.29 0.00 -1.81 0.00 0.00 61.98 60.99 1uc3 s VAL 111 Cb -0.01 -3.84 -0.06 0.00 0.56 0.00 0.00 36.38 33.03 1uc3 s VAL 111 CO 0.89 0.43 1.84 -0.62 -0.31 0.00 0.00 175.10 177.33 1uc3 s ASP 112 N -1.35 6.33 0.39 4.85 -1.08 -1.26 -4.77 116.67 119.77 1uc3 s ASP 112 Ca 0.33 2.18 0.18 0.00 -0.52 0.00 0.00 52.55 54.71 1uc3 s ASP 112 Cb -0.18 -2.53 1.09 0.00 -1.46 0.00 0.00 42.92 39.84 1uc3 s ASP 112 CO 0.19 -1.22 1.76 -0.65 0.52 0.00 0.00 175.17 175.77 1uc3 h PRO 113 N 11.08 0.39 0.00 4.34 0.11 -1.98 -2.91 132.00 143.03 1uc3 h PRO 113 Ca -0.42 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1uc3 h PRO 113 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1uc3 h PRO 113 CO 0.96 0.26 0.00 1.96 -0.21 0.00 0.00 178.00 180.97 1uc3 h GLN 114 N 0.40 0.00 0.00 1.05 1.08 -2.02 -3.16 115.11 112.47 1uc3 h GLN 114 Ca 0.61 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.81 1uc3 h GLN 114 Cb 1.51 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.94 1uc3 h GLN 114 CO -0.32 0.00 -0.07 1.88 -0.95 0.00 0.00 178.83 179.37 1uc3 h TYR 115 N 0.00 0.00 -0.70 2.96 0.05 -1.92 -3.35 116.97 114.01 1uc3 h TYR 115 Ca 0.00 0.00 0.09 0.00 0.05 0.00 0.00 58.73 58.87 1uc3 h TYR 115 Cb 0.33 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.00 1uc3 h TYR 115 CO 0.00 0.00 0.35 0.74 -1.05 0.00 0.00 178.16 178.20 1uc3 h PHE 116 N 0.00 0.62 -0.08 4.88 0.04 -1.78 -1.89 116.94 118.73 1uc3 h PHE 116 Ca 0.00 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.71 1uc3 h PHE 116 Cb 0.83 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.79 1uc3 h PHE 116 CO 0.00 0.22 -0.36 1.57 -0.60 0.00 0.00 178.31 179.14 1uc3 h LYS 117 N 0.59 0.16 -0.26 1.51 2.10 -1.83 -1.47 116.57 117.37 1uc3 h LYS 117 Ca 0.35 -0.07 -0.15 0.00 -2.00 0.00 0.00 60.65 58.78 1uc3 h LYS 117 Cb 0.37 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.69 1uc3 h LYS 117 CO -0.27 0.51 -0.45 0.28 -2.00 0.00 0.00 179.45 177.51 1uc3 h VAL 118 N 0.14 1.30 -0.24 0.07 2.07 -1.55 -0.74 116.25 117.30 1uc3 h VAL 118 Ca 0.02 -1.64 -0.18 0.00 0.82 0.00 0.00 66.70 65.71 1uc3 h VAL 118 Cb 0.71 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1uc3 h VAL 118 CO 0.05 0.52 -0.58 0.25 0.02 0.00 0.00 177.57 177.84 1uc3 h LEU 119 N 0.54 0.85 -1.50 2.57 5.85 -1.29 -2.78 115.31 119.56 1uc3 h LEU 119 Ca 0.03 -0.47 -0.05 0.00 0.84 0.00 0.00 57.88 58.23 1uc3 h LEU 119 Cb 0.99 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 1uc3 h LEU 119 CO 0.09 1.25 -0.26 0.00 -0.34 0.00 0.00 178.44 179.18 1uc3 h ALA 120 N 0.76 1.40 -0.30 1.25 0.00 -1.12 -2.10 119.26 119.16 1uc3 h ALA 120 Ca 0.00 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 1uc3 h ALA 120 Cb 1.17 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1uc3 h ALA 120 CO 0.12 0.32 -0.35 0.00 0.00 0.00 0.00 179.25 179.35 1uc3 h ALA 121 N 1.74 0.84 -0.68 0.00 0.00 -0.91 -0.98 119.26 119.27 1uc3 h ALA 121 Ca -0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 1uc3 h ALA 121 Cb 0.51 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1uc3 h ALA 121 CO 0.03 0.64 0.27 0.28 0.00 0.00 0.00 179.25 180.47 1uc3 h VAL 122 N 0.55 1.24 0.66 0.00 2.07 -1.13 -1.72 116.25 117.93 1uc3 h VAL 122 Ca 0.06 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 1uc3 h VAL 122 Cb 0.86 0.47 0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1uc3 h VAL 122 CO 0.07 0.30 -0.32 0.40 0.02 0.00 0.00 177.57 178.05 1uc3 h ILE 123 N 0.96 0.19 -0.74 4.57 2.04 -1.15 -1.96 117.51 121.42 1uc3 h ILE 123 Ca 0.23 -0.28 0.16 0.00 1.00 0.00 0.00 64.86 65.97 1uc3 h ILE 123 Cb 0.21 0.24 -0.11 0.00 -0.74 0.00 0.00 36.82 36.43 1uc3 h ILE 123 CO -0.02 0.02 0.21 0.00 0.00 0.00 0.00 178.15 178.36 1uc3 h ALA 124 N -0.96 0.98 -0.08 1.87 0.00 -1.17 0.47 119.26 120.37 1uc3 h ALA 124 Ca -0.09 0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1uc3 h ALA 124 Cb 0.72 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1uc3 h ALA 124 CO 0.15 -0.32 -0.18 0.22 0.00 0.00 0.00 179.25 179.13 1uc3 h ASP 125 N 0.30 0.12 0.47 0.00 3.58 -1.26 0.15 116.42 119.79 1uc3 h ASP 125 Ca 0.42 -0.03 -0.30 0.00 0.42 0.00 0.00 57.03 57.54 1uc3 h ASP 125 Cb 0.70 -0.03 0.01 0.00 1.72 0.00 0.00 39.33 41.74 1uc3 h ASP 125 CO -0.49 0.31 -1.39 0.74 -2.88 0.00 0.00 179.24 175.54 1uc3 h THR 126 N 0.12 1.35 0.00 2.25 2.02 0.16 -3.32 112.91 115.50 1uc3 h THR 126 Ca 0.02 -2.89 -0.09 0.00 0.77 0.00 0.00 66.41 64.23 1uc3 h THR 126 Cb 0.39 2.94 -0.01 0.00 -1.74 0.00 0.00 68.15 69.73 1uc3 h THR 126 CO 0.03 0.86 -0.49 0.58 0.37 0.00 0.00 175.52 176.86 1uc3 h VAL 127 N 0.10 1.38 -1.09 3.16 2.07 0.05 -3.45 116.25 118.46 1uc3 h VAL 127 Ca -0.20 -2.22 -0.32 0.00 0.82 0.00 0.00 66.70 64.79 1uc3 h VAL 127 Cb 2.05 2.79 -0.23 0.00 -1.52 0.00 0.00 31.29 34.37 1uc3 h VAL 127 CO 0.22 0.47 -0.68 0.00 0.02 0.00 0.00 177.57 177.60 1uc3 n ALA 128 N -2.94 -0.20 -1.68 1.67 0.00 0.51 -4.74 120.51 113.13 1uc3 n ALA 128 Ca -0.18 -1.89 -0.46 0.00 0.00 0.00 0.00 53.44 50.90 1uc3 n ALA 128 Cb 0.54 -1.20 -0.04 0.00 0.00 0.00 0.00 19.45 18.74 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 2.28 1.22 0.00 0.00 0.00 -1.09 -1.76 120.51 121.15 1uc3 n ALA 129 Ca 0.18 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1uc3 n ALA 129 Cb 0.56 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.51 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 4.21 1.46 3.68 0.00 0.00 -1.26 -5.04 105.19 108.23 1uc3 n GLY 130 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 1uc3 n GLY 130 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uc3 s ASP 131 N -2.20 7.05 0.36 1.61 2.15 -0.73 -4.91 116.67 120.00 1uc3 s ASP 131 Ca 0.00 1.68 0.17 0.00 0.43 0.00 0.00 52.55 54.84 1uc3 s ASP 131 Cb 0.00 -2.55 0.61 0.00 -0.30 0.00 0.00 42.92 40.68 1uc3 s ASP 131 CO 0.00 -0.63 1.71 0.00 -0.17 0.00 0.00 175.17 176.08 1uc3 h ALA 132 N 7.62 0.99 -0.08 3.66 0.00 -1.96 -2.98 119.26 126.50 1uc3 h ALA 132 Ca -0.30 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.22 1uc3 h ALA 132 Cb 1.13 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1uc3 h ALA 132 CO 0.91 0.52 -0.02 0.78 0.00 0.00 0.00 179.25 181.45 1uc3 h GLY 133 N 2.06 0.17 1.48 0.00 0.00 -1.93 -2.16 103.07 102.68 1uc3 h GLY 133 Ca -0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 1uc3 h GLY 133 CO 0.05 0.12 0.11 -2.75 0.00 0.00 0.00 176.54 174.08 1uc3 h PHE 134 N -0.18 0.68 -0.68 5.60 3.57 -1.90 -1.92 116.94 122.11 1uc3 h PHE 134 Ca 0.02 -0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.42 1uc3 h PHE 134 Cb 0.42 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 1uc3 h PHE 134 CO 0.05 0.58 0.23 0.93 -2.23 0.00 0.00 178.31 177.87 1uc3 h GLU 135 N 0.65 1.02 -0.51 1.11 5.08 -1.44 -0.89 114.58 119.60 1uc3 h GLU 135 Ca 0.15 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1uc3 h GLU 135 Cb 0.24 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1uc3 h GLU 135 CO -0.00 0.86 0.26 -0.22 -1.00 0.00 0.00 179.01 178.91 1uc3 h LYS 136 N 0.99 0.73 -0.42 2.33 3.64 -0.69 0.37 116.57 123.52 1uc3 h LYS 136 Ca 0.22 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1uc3 h LYS 136 Cb 0.26 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1uc3 h LYS 136 CO -0.01 0.59 0.23 1.25 -2.27 0.00 0.00 179.45 179.24 1uc3 h LEU 137 N 0.68 0.52 -1.05 5.20 6.46 -0.87 -0.18 115.31 126.07 1uc3 h LEU 137 Ca 0.18 -0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 1uc3 h LEU 137 Cb 0.09 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 39.85 1uc3 h LEU 137 CO -0.02 0.47 0.47 0.24 -0.62 0.00 0.00 178.44 178.97 1uc3 h MET 138 N 0.54 1.12 -0.64 1.25 2.86 -0.88 0.45 114.93 119.64 1uc3 h MET 138 Ca 0.15 -0.11 -0.08 0.00 -2.06 0.00 0.00 59.70 57.59 1uc3 h MET 138 Cb 0.06 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.47 1uc3 h MET 138 CO -0.02 0.81 0.08 0.77 1.06 0.00 0.00 176.91 179.60 1uc3 h SER 139 N 1.13 1.02 -0.58 1.22 0.02 -0.41 0.61 113.55 116.56 1uc3 h SER 139 Ca 0.29 -0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 1uc3 h SER 139 Cb -0.00 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 1uc3 h SER 139 CO -0.05 1.03 0.20 0.24 -1.14 0.00 0.00 176.83 177.11 1uc3 h MET 140 N 0.99 0.89 0.19 3.45 2.07 -0.05 -0.71 114.93 121.77 1uc3 h MET 140 Ca 0.19 -0.18 -0.01 0.00 -2.07 0.00 0.00 59.70 57.63 1uc3 h MET 140 Cb 0.46 -0.13 0.00 0.00 -1.87 0.00 0.00 31.60 30.06 1uc3 h MET 140 CO 0.02 0.79 -0.09 0.82 1.07 0.00 0.00 176.91 179.51 1uc3 h ILE 141 N 0.81 0.90 -0.72 -1.22 2.04 -0.61 -2.29 117.51 116.41 1uc3 h ILE 141 Ca 0.19 -0.50 0.08 0.00 1.00 0.00 0.00 64.86 65.64 1uc3 h ILE 141 Cb 0.25 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.48 1uc3 h ILE 141 CO -0.01 0.11 0.48 0.00 0.00 0.00 0.00 178.15 178.73 1uc3 h ILE 143 N 0.67 1.25 -0.63 0.00 2.04 -1.03 -2.59 117.51 117.22 1uc3 h ILE 143 Ca 0.33 -0.78 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 1uc3 h ILE 143 Cb 0.39 1.64 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 1uc3 h ILE 143 CO -0.11 0.22 0.29 -0.07 0.00 0.00 0.00 178.15 178.47 1uc3 h LEU 144 N -0.16 0.84 -1.47 1.44 3.38 -0.70 -1.71 115.31 116.93 1uc3 h LEU 144 Ca 0.02 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1uc3 h LEU 144 Cb 0.34 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1uc3 h LEU 144 CO 0.00 0.75 0.00 0.18 0.09 0.00 0.00 178.44 179.47 1uc3 n LEU 145 N -4.47 0.59 -0.53 1.67 4.77 0.13 -0.78 117.00 118.38 1uc3 n LEU 145 Ca 0.04 0.77 0.08 0.00 -0.03 0.00 0.00 56.01 56.88 1uc3 n LEU 145 Cb 0.14 -0.84 0.04 0.00 -2.33 0.00 0.00 43.42 40.43 1uc3 n LEU 145 CO 0.38 -0.96 0.40 0.54 -1.33 0.00 0.00 177.39 176.42 1uc3 n ARG 146 N -2.29 1.50 -0.26 3.23 1.74 -0.69 -4.56 116.66 115.34 1uc3 n ARG 146 Ca -0.01 -1.18 0.15 0.00 -0.77 0.00 0.00 57.85 56.04 1uc3 n ARG 146 Cb 0.04 -1.30 0.44 0.00 -1.02 0.00 0.00 32.46 30.62 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 2.59 0.55 0.94 0.55 4.64 -0.48 -1.98 113.55 120.34 1uc3 h SER 147 Ca 0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1uc3 h SER 147 Cb 0.63 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1uc3 h SER 147 CO 0.00 0.24 -0.22 0.00 -0.87 0.00 0.00 176.83 175.98 1uc3 n ALA 148 N -2.46 2.72 1.70 5.18 0.00 -1.26 -5.08 120.51 121.32 1uc3 n ALA 148 Ca 0.19 -0.17 0.14 0.00 0.00 0.00 0.00 53.44 53.59 1uc3 n ALA 148 Cb 0.58 -1.34 0.81 0.00 0.00 0.00 0.00 19.45 19.51 1uc3 n ALA 148 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16