#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yuu n ALA 2 N 0.00 6.66 0.00 3.04 0.00 -1.26 -4.87 120.51 124.09 1yuu n ALA 2 Ca 0.00 -2.55 0.00 0.00 0.00 0.00 0.00 53.44 50.89 1yuu n ALA 2 Cb 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 16.92 1yuu n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yuu n ALA 3 N 2.36 0.00 0.00 0.00 0.00 -1.26 -3.56 120.51 118.05 1yuu n ALA 3 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1yuu n ALA 3 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 1yuu n ALA 3 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1yuu n GLU 4 N 0.00 0.00 -2.11 0.00 0.28 -1.26 -5.16 120.64 112.39 1yuu n GLU 4 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.61 1yuu n GLU 4 Cb 0.00 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 32.86 1yuu n GLU 4 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1yuu s PRO 5 N 0.00 4.07 0.22 3.44 0.04 -1.23 -5.03 135.00 136.50 1yuu s PRO 5 Ca 0.00 2.11 0.02 0.00 0.04 0.00 0.00 61.00 63.17 1yuu s PRO 5 Cb 0.00 -2.81 0.02 0.00 0.04 0.00 0.00 34.50 31.75 1yuu s PRO 5 CO 0.00 -0.40 0.13 1.28 0.04 0.00 0.00 177.00 178.06 1yuu n LEU 6 N 0.26 0.00 -4.88 -3.56 4.77 -1.26 -5.13 117.00 107.20 1yuu n LEU 6 Ca 0.03 -1.16 -0.31 0.00 -0.03 0.00 0.00 56.01 54.54 1yuu n LEU 6 Cb 0.44 0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.49 1yuu n LEU 6 CO 0.56 -0.35 0.22 0.28 -1.33 0.00 0.00 177.39 176.76 1yuu s THR 7 N -1.19 4.95 0.19 -5.08 -1.32 -1.26 -4.83 115.64 107.11 1yuu s THR 7 Ca 0.10 0.37 -0.16 0.00 -1.21 0.00 0.00 61.69 60.79 1yuu s THR 7 Cb -0.01 -3.65 0.19 0.00 -1.51 0.00 0.00 72.50 67.52 1yuu s THR 7 CO 0.06 -0.15 1.33 -0.62 -2.21 0.00 0.00 174.62 173.04 1yuu n GLU 8 N -0.38 -0.21 -0.06 7.08 1.02 -1.26 -0.55 120.64 126.28 1yuu n GLU 8 Ca -0.00 1.32 -0.11 0.00 -0.02 0.00 0.00 57.16 58.35 1yuu n GLU 8 Cb 0.53 -1.96 -0.04 0.00 -0.02 0.00 0.00 31.44 29.94 1yuu n GLU 8 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1yuu h LEU 9 N 0.00 0.30 -0.15 -4.62 3.38 -1.99 0.15 115.31 112.38 1yuu h LEU 9 Ca 0.29 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 58.10 1yuu h LEU 9 Cb 0.50 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 1yuu h LEU 9 CO -0.85 0.40 -0.49 -0.33 0.09 0.00 0.00 178.44 177.27 1yuu h GLU 10 N 0.17 -0.48 -0.51 1.13 4.39 -1.45 0.58 114.58 118.41 1yuu h GLU 10 Ca 0.07 0.03 0.10 0.00 0.34 0.00 0.00 59.36 59.90 1yuu h GLU 10 Cb 0.21 0.11 -0.10 0.00 -0.10 0.00 0.00 28.75 28.87 1yuu h GLU 10 CO -0.00 -0.32 -0.19 0.93 -1.16 0.00 0.00 179.01 178.27 1yuu h GLU 11 N -0.50 -0.07 -0.13 2.33 4.39 -0.57 0.54 114.58 120.56 1yuu h GLU 11 Ca 0.03 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1yuu h GLU 11 Cb 0.60 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1yuu h GLU 11 CO -0.41 -0.05 0.06 0.66 -1.16 0.00 0.00 179.01 178.12 1yuu h SER 12 N -0.07 0.18 -0.82 1.42 4.64 -0.34 0.12 113.55 118.67 1yuu h SER 12 Ca 0.24 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1yuu h SER 12 Cb 0.45 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 62.45 1yuu h SER 12 CO -0.56 0.25 0.52 0.16 -0.87 0.00 0.00 176.83 176.33 1yuu h ILE 13 N 0.09 1.22 0.30 0.95 -0.00 0.16 -0.76 117.51 119.47 1yuu h ILE 13 Ca 0.05 -0.44 -0.01 0.00 -0.00 0.00 0.00 64.86 64.45 1yuu h ILE 13 Cb 0.13 0.04 0.00 0.00 -0.00 0.00 0.00 36.82 36.99 1yuu h ILE 13 CO -0.01 0.22 -0.15 -0.08 -0.00 0.00 0.00 178.15 178.14 1yuu h GLU 14 N 1.12 -0.39 -0.89 0.16 4.22 -0.76 0.95 114.58 118.98 1yuu h GLU 14 Ca 0.30 0.03 0.16 0.00 0.08 0.00 0.00 59.36 59.92 1yuu h GLU 14 Cb -0.09 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 1yuu h GLU 14 CO -0.06 -0.25 0.57 0.00 -2.18 0.00 0.00 179.01 177.10 1yuu h THR 15 N -0.43 0.80 0.08 0.32 1.03 0.01 0.24 112.91 114.96 1yuu h THR 15 Ca -0.04 -0.22 -0.15 0.00 -0.01 0.00 0.00 66.41 65.99 1yuu h THR 15 Cb 0.33 0.11 0.02 0.00 -1.07 0.00 0.00 68.15 67.54 1yuu h THR 15 CO 0.07 0.12 -0.64 -0.37 -0.01 0.00 0.00 175.52 174.69 1yuu h VAL 16 N 0.63 1.52 -0.94 0.00 -1.51 -1.07 -3.29 116.25 111.58 1yuu h VAL 16 Ca 0.45 -2.35 0.06 0.00 -1.23 0.00 0.00 66.70 63.63 1yuu h VAL 16 Cb 0.81 3.02 -0.06 0.00 -2.13 0.00 0.00 31.29 32.93 1yuu h VAL 16 CO -0.20 0.66 0.60 0.58 -1.23 0.00 0.00 177.57 177.98 1yuu h VAL 17 N -0.37 1.08 -0.21 7.19 2.07 0.12 -0.14 116.25 125.99 1yuu h VAL 17 Ca -0.10 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.04 1yuu h VAL 17 Cb 1.45 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1yuu h VAL 17 CO 0.12 0.20 0.13 0.00 0.02 0.00 0.00 177.57 178.04 1yuu h THR 18 N 1.11 1.03 0.28 2.57 1.03 -0.78 0.35 112.91 118.50 1yuu h THR 18 Ca 0.40 -0.09 0.00 0.00 -0.01 0.00 0.00 66.41 66.72 1yuu h THR 18 Cb 0.14 0.75 -0.04 0.00 -1.07 0.00 0.00 68.15 67.93 1yuu h THR 18 CO -0.16 0.05 -0.49 0.74 -0.01 0.00 0.00 175.52 175.64 1yuu h THR 19 N 0.26 0.05 -0.67 0.00 2.02 -1.37 -0.01 112.91 113.20 1yuu h THR 19 Ca 0.08 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.28 1yuu h THR 19 Cb -0.01 0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 66.41 1yuu h THR 19 CO -0.03 0.00 0.43 -0.26 0.37 0.00 0.00 175.52 176.02 1yuu h PHE 20 N -0.83 0.80 0.38 3.16 0.04 -0.84 -0.04 116.94 119.61 1yuu h PHE 20 Ca -0.02 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1yuu h PHE 20 Cb 0.79 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 38.68 1yuu h PHE 20 CO -0.35 0.47 -0.18 0.35 -0.60 0.00 0.00 178.31 178.00 1yuu h PHE 21 N 0.85 -0.47 -0.09 -0.55 3.57 -0.11 0.38 116.94 120.52 1yuu h PHE 21 Ca 0.26 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.77 1yuu h PHE 21 Cb -0.02 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1yuu h PHE 21 CO -0.04 -0.26 -0.06 1.79 -2.23 0.00 0.00 178.31 177.51 1yuu h THR 22 N -0.57 0.82 -0.58 4.41 1.35 -0.83 -2.29 112.91 115.21 1yuu h THR 22 Ca -0.05 0.00 0.11 0.00 -0.55 0.00 0.00 66.41 65.92 1yuu h THR 22 Cb 0.43 0.82 -0.08 0.00 -1.73 0.00 0.00 68.15 67.58 1yuu h THR 22 CO 0.09 0.00 0.11 0.15 -0.25 0.00 0.00 175.52 175.62 1yuu h PHE 23 N -0.06 0.17 0.00 4.73 3.57 -0.80 -0.72 116.94 123.84 1yuu h PHE 23 Ca 0.06 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1yuu h PHE 23 Cb 0.14 0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.90 1yuu h PHE 23 CO -0.17 -0.04 0.00 0.00 -2.23 0.00 0.00 178.31 175.87 1yuu h ALA 24 N 1.47 1.00 0.00 2.41 0.00 0.32 0.10 119.26 124.56 1yuu h ALA 24 Ca 0.30 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 1yuu h ALA 24 Cb 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1yuu h ALA 24 CO -0.40 0.00 -0.08 0.07 0.00 0.00 0.00 179.25 178.84 1yuu h ARG 25 N 0.00 0.00 -0.56 0.00 -0.00 -0.75 -3.29 114.38 109.78 1yuu h ARG 25 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 59.98 60.03 1yuu h ARG 25 Cb 0.03 0.00 -0.08 0.00 -0.00 0.00 0.00 29.97 29.92 1yuu h ARG 25 CO 0.00 0.08 -0.44 0.37 -0.00 0.00 0.00 179.97 179.99 1yuu h GLN 26 N 0.00 -0.13 -5.39 0.08 5.75 -0.94 -3.44 115.11 111.04 1yuu h GLN 26 Ca -0.00 0.01 -0.61 0.00 -0.15 0.00 0.00 58.65 57.90 1yuu h GLN 26 Cb 0.26 0.03 -0.13 0.00 1.07 0.00 0.00 27.48 28.71 1yuu h GLN 26 CO 0.01 -0.09 -0.57 -1.21 -2.65 0.00 0.00 178.83 174.32 1yuu s GLU 27 N -4.93 1.97 0.01 1.69 2.02 -1.26 -5.10 118.70 113.10 1yuu s GLU 27 Ca -0.10 -2.17 -0.04 0.00 0.02 0.00 0.00 54.97 52.68 1yuu s GLU 27 Cb 0.07 -1.37 -0.02 0.00 0.10 0.00 0.00 34.13 32.91 1yuu s GLU 27 CO 0.47 -0.21 0.10 0.41 0.02 0.00 0.00 175.26 176.06 1yuu n GLY 28 N -1.00 -0.09 2.25 -1.39 0.00 -1.26 -4.46 105.19 99.24 1yuu n GLY 28 Ca -0.09 0.07 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 1yuu n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yuu n ARG 29 N 0.16 -3.80 -0.78 1.61 1.74 -1.26 -4.71 116.66 109.61 1yuu n ARG 29 Ca 0.02 2.93 -0.21 0.00 -0.77 0.00 0.00 57.85 59.82 1yuu n ARG 29 Cb 0.02 -4.08 -0.03 0.00 -1.02 0.00 0.00 32.46 27.34 1yuu n ARG 29 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1yuu n LYS 30 N 1.38 2.11 0.00 5.56 2.85 -1.24 -2.96 118.16 125.85 1yuu n LYS 30 Ca -0.22 -1.39 0.00 0.00 -1.05 0.00 0.00 58.31 55.65 1yuu n LYS 30 Cb 0.34 -2.38 0.00 0.00 -0.65 0.00 0.00 35.03 32.35 1yuu n LYS 30 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1yuu n ASP 31 N 3.87 0.00 -4.78 -5.58 5.75 -1.26 -4.76 116.55 109.80 1yuu n ASP 31 Ca 0.45 0.00 -0.39 0.00 -0.01 0.00 0.00 54.79 54.84 1yuu n ASP 31 Cb 0.22 0.14 -0.06 0.00 -1.03 0.00 0.00 41.12 40.38 1yuu n ASP 31 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1yuu s SER 32 N -1.60 7.38 0.71 -1.12 0.01 -1.16 -4.67 113.70 113.26 1yuu s SER 32 Ca 0.00 1.64 -0.03 0.00 1.31 0.00 0.00 55.95 58.87 1yuu s SER 32 Cb 0.00 -2.50 0.11 0.00 0.21 0.00 0.00 66.02 63.84 1yuu s SER 32 CO 0.00 0.21 0.99 -0.76 0.41 0.00 0.00 173.24 174.09 1yuu s LEU 33 N -1.12 2.98 0.26 2.44 2.01 0.51 -4.67 118.68 121.08 1yuu s LEU 33 Ca 0.36 -0.10 -0.14 0.00 0.01 0.00 0.00 54.13 54.25 1yuu s LEU 33 Cb -0.23 -2.36 0.00 0.00 0.01 0.00 0.00 46.19 43.61 1yuu s LEU 33 CO 0.26 -1.79 0.53 -0.44 1.01 0.00 0.00 176.35 175.93 1yuu s SER 34 N -4.66 -0.12 0.12 2.29 0.01 -1.26 -0.43 113.70 109.65 1yuu s SER 34 Ca 0.64 -0.87 -0.31 0.00 1.31 0.00 0.00 55.95 56.73 1yuu s SER 34 Cb -0.07 0.62 -0.09 0.00 0.21 0.00 0.00 66.02 66.69 1yuu s SER 34 CO 0.44 -1.19 1.58 1.62 0.41 0.00 0.00 173.24 176.10 1yuu h VAL 35 N 2.20 0.13 -0.15 3.43 3.04 -2.00 0.27 116.25 123.16 1yuu h VAL 35 Ca -0.25 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.41 1yuu h VAL 35 Cb 1.25 0.13 -0.01 0.00 -2.01 0.00 0.00 31.29 30.66 1yuu h VAL 35 CO 0.33 0.00 -0.02 -1.13 -1.01 0.00 0.00 177.57 175.73 1yuu h ASN 36 N -0.62 0.29 -0.93 3.17 -1.24 -1.99 -0.29 115.58 113.98 1yuu h ASN 36 Ca 0.03 -0.35 0.17 0.00 0.71 0.00 0.00 56.30 56.87 1yuu h ASN 36 Cb 0.67 -0.08 -0.17 0.00 0.73 0.00 0.00 38.32 39.48 1yuu h ASN 36 CO -0.30 0.57 -0.28 -0.62 -1.29 0.00 0.00 177.43 175.51 1yuu n GLU 37 N -4.71 -0.13 0.42 6.67 1.02 -1.07 -0.50 120.64 122.34 1yuu n GLU 37 Ca -0.05 1.44 -0.19 0.00 -0.02 0.00 0.00 57.16 58.34 1yuu n GLU 37 Cb 0.25 -2.15 -0.09 0.00 -0.02 0.00 0.00 31.44 29.42 1yuu n GLU 37 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1yuu h PHE 38 N 0.00 -1.04 -0.51 -0.32 3.04 0.10 -2.77 116.94 115.44 1yuu h PHE 38 Ca 0.40 -0.02 0.09 0.00 3.98 0.00 0.00 57.97 62.42 1yuu h PHE 38 Cb 0.63 0.35 -0.07 0.00 2.56 0.00 0.00 35.95 39.42 1yuu h PHE 38 CO -0.75 -0.63 0.10 -0.22 -2.02 0.00 0.00 178.31 174.78 1yuu h LYS 39 N -1.08 0.22 -0.91 1.11 3.64 0.90 0.17 116.57 120.62 1yuu h LYS 39 Ca -0.11 -0.01 0.17 0.00 -1.27 0.00 0.00 60.65 59.43 1yuu h LYS 39 Cb 0.84 -0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 32.50 1yuu h LYS 39 CO 0.16 0.15 0.50 0.93 -2.27 0.00 0.00 179.45 178.92 1yuu h GLU 40 N 0.23 0.64 -0.01 1.90 5.08 -0.78 0.13 114.58 121.77 1yuu h GLU 40 Ca 0.26 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1yuu h GLU 40 Cb 0.36 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1yuu h GLU 40 CO -0.34 0.42 0.00 1.25 -1.00 0.00 0.00 179.01 179.34 1yuu h LEU 41 N 0.65 0.01 -0.12 1.33 5.85 -0.38 0.13 115.31 122.77 1yuu h LEU 41 Ca 0.52 -0.25 -0.06 0.00 0.84 0.00 0.00 57.88 58.93 1yuu h LEU 41 Cb 0.79 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 1yuu h LEU 41 CO -0.39 0.25 -0.15 -0.37 -0.34 0.00 0.00 178.44 177.44 1yuu h VAL 42 N -0.24 1.36 -0.09 1.05 -1.51 -0.99 0.26 116.25 116.09 1yuu h VAL 42 Ca 0.00 -1.35 0.01 0.00 -1.23 0.00 0.00 66.70 64.12 1yuu h VAL 42 Cb 0.25 1.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.37 1yuu h VAL 42 CO 0.00 0.39 0.04 0.74 -1.23 0.00 0.00 177.57 177.52 1yuu h THR 43 N -0.08 1.00 0.00 7.19 2.02 -0.76 -2.56 112.91 119.72 1yuu h THR 43 Ca 0.02 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 1yuu h THR 43 Cb 0.70 0.89 -0.00 0.00 -1.74 0.00 0.00 68.15 68.00 1yuu h THR 43 CO 0.04 0.02 -0.09 -0.61 0.37 0.00 0.00 175.52 175.25 1yuu h GLN 44 N 0.10 0.00 -0.81 6.66 4.15 -0.71 -3.41 115.11 121.09 1yuu h GLN 44 Ca 0.04 0.00 -0.57 0.00 0.77 0.00 0.00 58.65 58.88 1yuu h GLN 44 Cb 0.01 0.00 -0.37 0.00 0.21 0.00 0.00 27.48 27.33 1yuu h GLN 44 CO -0.03 0.39 -0.22 1.04 -1.93 0.00 0.00 178.83 178.08 1yuu n GLN 45 N -4.70 3.21 -2.97 1.69 3.00 0.07 -4.74 117.38 112.95 1yuu n GLN 45 Ca -0.05 -3.83 -0.16 0.00 -0.01 0.00 0.00 57.00 52.95 1yuu n GLN 45 Cb 0.21 -2.26 -0.01 0.00 0.00 0.00 0.00 30.24 28.18 1yuu n GLN 45 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1yuu n LEU 46 N -0.80 -1.45 -0.01 1.08 7.94 -0.96 -4.89 117.00 117.90 1yuu n LEU 46 Ca 0.50 -3.96 -0.13 0.00 -1.11 0.00 0.00 56.01 51.31 1yuu n LEU 46 Cb 0.87 0.73 -0.08 0.00 0.53 0.00 0.00 43.42 45.47 1yuu n LEU 46 CO 0.52 2.02 0.70 1.55 -1.11 0.00 0.00 177.39 181.08 1yuu h PRO 47 N 4.11 0.07 0.00 1.96 0.13 -1.85 -3.40 132.00 133.01 1yuu h PRO 47 Ca -0.02 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1yuu h PRO 47 Cb 0.96 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1yuu h PRO 47 CO 0.38 0.40 -0.99 1.58 -0.23 0.00 0.00 178.00 179.14 1yuu n HIS 48 N -4.87 0.00 -0.11 1.56 -0.00 -1.26 -4.57 115.22 105.96 1yuu n HIS 48 Ca -0.07 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.01 1yuu n HIS 48 Cb 0.20 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.00 1yuu n HIS 48 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1yuu h LEU 49 N 0.00 -1.33 0.00 0.27 5.85 -2.00 -3.24 115.31 114.86 1yuu h LEU 49 Ca 0.00 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1yuu h LEU 49 Cb 0.93 0.55 0.00 0.00 0.37 0.00 0.00 40.66 42.51 1yuu h LEU 49 CO 0.00 -0.28 -0.14 -0.07 -0.34 0.00 0.00 178.44 177.61 1yuu h LEU 50 N -0.26 0.00 -0.39 2.25 3.38 -1.90 -3.47 115.31 114.93 1yuu h LEU 50 Ca 0.06 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.18 1yuu h LEU 50 Cb 0.41 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.07 1yuu h LEU 50 CO -0.44 0.37 -0.71 1.17 0.09 0.00 0.00 178.44 178.91 1yuu n LYS 51 N -3.64 -2.08 -3.46 1.13 3.00 -1.23 -4.97 118.16 106.92 1yuu n LYS 51 Ca -0.02 1.68 -0.15 0.00 -0.00 0.00 0.00 58.31 59.82 1yuu n LYS 51 Cb 0.07 -2.32 0.01 0.00 0.00 0.00 0.00 35.03 32.79 1yuu n LYS 51 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1yuu n ASP 52 N -3.09 -6.19 -1.16 3.14 2.03 -1.26 -4.91 116.55 105.11 1yuu n ASP 52 Ca -0.04 -0.59 -0.03 0.00 0.52 0.00 0.00 54.79 54.65 1yuu n ASP 52 Cb 0.38 -3.47 0.02 0.00 -0.72 0.00 0.00 41.12 37.33 1yuu n ASP 52 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1yuu n VAL 53 N -2.46 1.28 -0.08 5.18 0.24 -1.26 -3.95 118.33 117.28 1yuu n VAL 53 Ca -0.15 -0.25 -0.11 0.00 -2.04 0.00 0.00 64.34 61.78 1yuu n VAL 53 Cb 0.60 -0.93 -0.04 0.00 -1.47 0.00 0.00 33.84 32.00 1yuu n VAL 53 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1yuu n GLY 54 N 0.28 -0.48 2.41 7.63 0.00 -1.26 -4.69 105.19 109.08 1yuu n GLY 54 Ca 0.08 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 1yuu n GLY 54 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yuu n SER 55 N -4.33 5.48 -0.10 1.61 2.88 -1.25 -4.59 113.62 113.31 1yuu n SER 55 Ca -0.19 -2.34 -0.13 0.00 -1.33 0.00 0.00 58.87 54.89 1yuu n SER 55 Cb 0.53 -1.18 -0.04 0.00 -0.75 0.00 0.00 64.21 62.78 1yuu n SER 55 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1yuu h LEU 56 N 7.15 0.76 -0.97 2.46 7.12 -1.83 -3.28 115.31 126.71 1yuu h LEU 56 Ca 0.48 -0.45 0.19 0.00 0.13 0.00 0.00 57.88 58.23 1yuu h LEU 56 Cb 0.45 -0.21 -0.18 0.00 -0.53 0.00 0.00 40.66 40.18 1yuu h LEU 56 CO 1.20 1.05 -0.25 0.47 -0.13 0.00 0.00 178.44 180.78 1yuu n ASP 57 N -4.27 -0.37 -0.03 1.25 9.92 -1.26 0.28 116.55 122.07 1yuu n ASP 57 Ca -0.03 1.68 -0.09 0.00 -0.53 0.00 0.00 54.79 55.82 1yuu n ASP 57 Cb 0.45 -0.50 -0.02 0.00 -0.64 0.00 0.00 41.12 40.41 1yuu n ASP 57 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1yuu h GLU 58 N 0.00 -0.21 -0.42 -1.24 4.81 -1.97 0.04 114.58 115.59 1yuu h GLU 58 Ca 0.46 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.59 1yuu h GLU 58 Cb 0.70 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 1yuu h GLU 58 CO -1.00 -0.14 -0.20 0.87 -0.73 0.00 0.00 179.01 177.81 1yuu h LYS 59 N -0.22 0.83 -0.25 1.92 1.79 -0.31 0.10 116.57 120.44 1yuu h LYS 59 Ca 0.12 -0.33 0.05 0.00 -2.18 0.00 0.00 60.65 58.31 1yuu h LYS 59 Cb 0.40 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.96 1yuu h LYS 59 CO -0.32 0.95 -0.05 1.98 -1.08 0.00 0.00 179.45 180.93 1yuu h MET 60 N 0.73 0.02 -0.65 3.15 4.05 -0.11 0.26 114.93 122.37 1yuu h MET 60 Ca 0.10 -0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.46 1yuu h MET 60 Cb 0.72 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.49 1yuu h MET 60 CO 0.06 0.01 0.14 0.87 0.23 0.00 0.00 176.91 178.22 1yuu h LYS 61 N 0.02 1.04 -0.84 0.39 1.57 -0.62 0.22 116.57 118.34 1yuu h LYS 61 Ca 0.12 -0.25 0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1yuu h LYS 61 Cb 0.17 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.29 1yuu h LYS 61 CO -0.24 0.93 0.53 0.77 -0.57 0.00 0.00 179.45 180.87 1yuu h SER 62 N 0.99 0.87 0.08 0.86 0.02 0.03 -3.24 113.55 113.15 1yuu h SER 62 Ca 0.20 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1yuu h SER 62 Cb 0.37 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1yuu h SER 62 CO 0.00 0.58 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.17 1yuu h LEU 63 N 1.01 -0.09 -7.15 5.07 3.38 -0.06 -3.39 115.31 114.07 1yuu h LEU 63 Ca 0.35 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.69 1yuu h LEU 63 Cb 0.07 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 1yuu h LEU 63 CO -0.14 -0.03 2.34 -0.67 0.09 0.00 0.00 178.44 180.04 1yuu n ASP 64 N -2.51 4.07 -0.37 -0.43 2.03 0.72 -4.81 116.55 115.27 1yuu n ASP 64 Ca -0.01 -2.84 0.29 0.00 0.52 0.00 0.00 54.79 52.75 1yuu n ASP 64 Cb 0.04 -1.65 0.57 0.00 -0.72 0.00 0.00 41.12 39.37 1yuu n ASP 64 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1yuu h VAL 65 N 5.05 0.36 0.00 5.18 -1.51 -1.78 0.21 116.25 123.77 1yuu h VAL 65 Ca 0.45 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.83 1yuu h VAL 65 Cb 0.79 0.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.03 1yuu h VAL 65 CO 1.61 0.05 -0.36 -0.46 -1.23 0.00 0.00 177.57 177.18 1yuu n ASN 66 N -4.64 0.73 -3.86 4.19 0.23 -1.26 -4.97 115.26 105.69 1yuu n ASN 66 Ca 0.30 0.30 -0.26 0.00 -0.53 0.00 0.00 54.58 54.39 1yuu n ASN 66 Cb 1.11 -0.23 0.01 0.00 -2.08 0.00 0.00 39.78 38.59 1yuu n ASN 66 CO 0.00 0.00 0.00 1.67 -0.93 0.00 0.00 177.26 178.00 1yuu n GLN 67 N -2.14 -4.57 0.12 -3.83 7.27 0.74 -4.89 117.38 110.08 1yuu n GLN 67 Ca 0.04 0.54 0.12 0.00 0.07 0.00 0.00 57.00 57.78 1yuu n GLN 67 Cb 0.43 -5.10 0.11 0.00 2.41 0.00 0.00 30.24 28.09 1yuu n GLN 67 CO 0.00 0.00 0.00 0.38 0.07 0.00 0.00 177.06 177.51 1yuu h ASP 68 N -1.89 0.00 -0.26 1.69 3.04 -1.93 -3.48 116.42 113.58 1yuu h ASP 68 Ca -0.61 -0.05 -0.11 0.00 -3.24 0.00 0.00 57.03 53.02 1yuu h ASP 68 Cb 1.37 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 39.61 1yuu h ASP 68 CO 0.62 0.02 -0.10 -0.24 -2.04 0.00 0.00 179.24 177.51 1yuu n SER 69 N -2.63 -4.16 -4.02 4.15 2.88 -1.26 -4.99 113.62 103.58 1yuu n SER 69 Ca 0.02 0.13 -0.31 0.00 -1.33 0.00 0.00 58.87 57.38 1yuu n SER 69 Cb 0.51 -2.14 -0.15 0.00 -0.75 0.00 0.00 64.21 61.68 1yuu n SER 69 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1yuu s GLU 70 N -2.01 1.78 -0.86 -1.46 2.02 -1.26 -3.83 118.70 113.08 1yuu s GLU 70 Ca 0.00 -1.56 -0.20 0.00 0.02 0.00 0.00 54.97 53.22 1yuu s GLU 70 Cb 0.00 -2.99 0.10 0.00 0.10 0.00 0.00 34.13 31.35 1yuu s GLU 70 CO 0.00 -0.76 1.11 -0.51 0.02 0.00 0.00 175.26 175.12 1yuu s LEU 71 N 1.05 4.69 0.94 1.80 2.01 0.43 -4.94 118.68 124.66 1yuu s LEU 71 Ca 0.01 -1.67 -0.12 0.00 0.01 0.00 0.00 54.13 52.36 1yuu s LEU 71 Cb -0.19 -2.42 0.08 0.00 0.01 0.00 0.00 46.19 43.66 1yuu s LEU 71 CO -0.07 -1.22 0.67 1.17 1.01 0.00 0.00 176.35 177.91 1yuu n LYS 72 N 7.14 -0.36 -0.40 1.70 4.81 -1.26 -0.37 118.16 129.42 1yuu n LYS 72 Ca 0.17 -0.05 -0.07 0.00 -0.87 0.00 0.00 58.31 57.48 1yuu n LYS 72 Cb 0.48 -2.04 -0.04 0.00 0.02 0.00 0.00 35.03 33.45 1yuu n LYS 72 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1yuu n PHE 73 N -3.84 -0.25 -0.26 5.64 -0.00 -1.26 -0.00 117.46 117.49 1yuu n PHE 73 Ca 0.09 1.23 -0.01 0.00 -0.00 0.00 0.00 57.45 58.76 1yuu n PHE 73 Cb 0.53 -0.70 0.19 0.00 -0.00 0.00 0.00 39.48 39.51 1yuu n PHE 73 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 176.76 175.79 1yuu h ASN 74 N 0.00 0.95 0.04 -2.13 -1.24 -1.98 -0.55 115.58 110.67 1yuu h ASN 74 Ca 0.23 -0.04 -0.00 0.00 0.71 0.00 0.00 56.30 57.20 1yuu h ASN 74 Cb 0.48 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 39.29 1yuu h ASN 74 CO -0.95 0.71 -0.02 -0.33 -1.29 0.00 0.00 177.43 175.56 1yuu h GLU 75 N 1.11 -0.05 -0.63 6.67 5.08 -0.73 -2.84 114.58 123.18 1yuu h GLU 75 Ca 0.29 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.68 1yuu h GLU 75 Cb -0.08 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 1yuu h GLU 75 CO -0.06 0.29 0.39 0.10 -1.00 0.00 0.00 179.01 178.73 1yuu h TYR 76 N -0.39 0.74 -1.09 4.33 -0.00 -0.92 -2.66 116.97 116.97 1yuu h TYR 76 Ca -0.01 0.02 0.30 0.00 0.00 0.00 0.00 58.73 59.04 1yuu h TYR 76 Cb 0.36 -0.24 -0.08 0.00 0.00 0.00 0.00 36.73 36.77 1yuu h TYR 76 CO 0.04 0.43 0.73 2.35 -0.00 0.00 0.00 178.16 181.71 1yuu h TRP 77 N 0.78 0.41 -0.96 0.10 2.91 -0.90 -0.37 115.95 117.91 1yuu h TRP 77 Ca 0.25 0.01 0.25 0.00 1.13 0.00 0.00 58.89 60.53 1yuu h TRP 77 Cb 0.00 -0.12 -0.18 0.00 -0.51 0.00 0.00 29.16 28.35 1yuu h TRP 77 CO -0.05 0.03 -0.05 0.54 -1.03 0.00 0.00 178.44 177.88 1yuu n ARG 78 N -4.47 -0.08 -0.27 2.65 1.74 -1.00 -0.21 116.66 115.02 1yuu n ARG 78 Ca 0.26 1.46 0.06 0.00 -0.77 0.00 0.00 57.85 58.86 1yuu n ARG 78 Cb 1.02 -2.28 0.18 0.00 -1.02 0.00 0.00 32.46 30.36 1yuu n ARG 78 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1yuu h LEU 79 N 0.00 -0.35 -2.28 0.55 5.85 -1.26 -0.58 115.31 117.24 1yuu h LEU 79 Ca 0.55 0.21 -0.01 0.00 0.84 0.00 0.00 57.88 59.47 1yuu h LEU 79 Cb 1.07 0.36 -0.00 0.00 0.37 0.00 0.00 40.66 42.46 1yuu h LEU 79 CO -0.93 -0.20 -0.03 0.40 -0.34 0.00 0.00 178.44 177.35 1yuu h ILE 80 N 0.10 0.16 0.03 4.05 5.03 -0.77 0.17 117.51 126.26 1yuu h ILE 80 Ca 0.44 -0.27 -0.15 0.00 -0.12 0.00 0.00 64.86 64.76 1yuu h ILE 80 Cb 0.79 1.23 0.01 0.00 -3.03 0.00 0.00 36.82 35.82 1yuu h ILE 80 CO -0.70 0.03 -0.60 1.23 -0.68 0.00 0.00 178.15 177.43 1yuu h GLY 81 N 0.79 0.40 0.98 5.37 0.00 -1.18 -0.12 103.07 109.30 1yuu h GLY 81 Ca -0.00 -0.76 -0.04 0.00 0.00 0.00 0.00 47.33 46.53 1yuu h GLY 81 CO 0.00 0.67 0.16 0.83 0.00 0.00 0.00 176.54 178.21 1yuu h GLU 82 N -0.20 0.80 0.46 4.80 4.39 -1.04 0.15 114.58 123.94 1yuu h GLU 82 Ca -0.08 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.44 1yuu h GLU 82 Cb 1.34 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.85 1yuu h GLU 82 CO 0.12 0.74 -0.50 -0.07 -1.16 0.00 0.00 179.01 178.13 1yuu h LEU 83 N 0.70 -1.39 -2.15 1.33 3.38 -0.73 0.25 115.31 116.70 1yuu h LEU 83 Ca 0.17 0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.30 1yuu h LEU 83 Cb 0.27 0.46 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1yuu h LEU 83 CO -0.01 -0.65 0.15 0.00 0.09 0.00 0.00 178.44 178.03 1yuu h ALA 84 N -0.89 1.97 0.03 1.53 0.00 -0.62 -0.88 119.26 120.40 1yuu h ALA 84 Ca -0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1yuu h ALA 84 Cb 0.85 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1yuu h ALA 84 CO -0.08 -0.25 -0.25 -0.22 0.00 0.00 0.00 179.25 178.46 1yuu h LYS 85 N 0.00 0.07 -0.57 0.00 3.64 -0.46 -3.37 116.57 115.89 1yuu h LYS 85 Ca 0.08 -0.11 0.07 0.00 -1.27 0.00 0.00 60.65 59.42 1yuu h LYS 85 Cb 0.39 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.20 1yuu h LYS 85 CO -0.00 1.05 0.25 0.93 -2.27 0.00 0.00 179.45 179.41 1yuu h GLU 86 N -0.86 0.45 0.00 1.90 4.39 0.31 0.19 114.58 120.96 1yuu h GLU 86 Ca -0.05 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1yuu h GLU 86 Cb 1.16 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1yuu h GLU 86 CO 0.02 0.29 0.00 1.51 -1.16 0.00 0.00 179.01 179.68 1yuu n ILE 87 N -4.94 0.00 -0.04 3.13 3.06 -0.41 -0.77 119.36 119.39 1yuu n ILE 87 Ca 0.07 0.00 -0.06 0.00 -2.50 0.00 0.00 62.75 60.26 1yuu n ILE 87 Cb 0.21 -0.89 -0.02 0.00 0.54 0.00 0.00 39.64 39.47 1yuu n ILE 87 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 1yuu n ARG 88 N -0.98 0.33 -0.05 9.51 3.00 0.43 -4.91 116.66 123.98 1yuu n ARG 88 Ca 0.04 0.13 -0.15 0.00 -0.00 0.00 0.00 57.85 57.88 1yuu n ARG 88 Cb 0.02 -1.07 -0.07 0.00 0.00 0.00 0.00 32.46 31.33 1yuu n ARG 88 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.63 179.20 1yuu h LYS 89 N -0.61 0.51 0.00 -0.14 2.10 -0.41 -3.36 116.57 114.66 1yuu h LYS 89 Ca -0.02 -0.34 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 1yuu h LYS 89 Cb 0.65 0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.03 1yuu h LYS 89 CO -0.01 0.95 0.00 -0.22 -2.00 0.00 0.00 179.45 178.17 1yuu h LYS 90 N 0.14 0.00 0.00 0.07 3.64 -1.18 -3.31 116.57 115.94 1yuu h LYS 90 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1yuu h LYS 90 Cb 0.95 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1yuu h LYS 90 CO 0.08 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 178.89 1yuu n LYS 91 N -2.82 0.00 -1.75 1.90 5.02 -1.26 -4.61 118.16 114.64 1yuu n LYS 91 Ca 0.00 0.28 -0.41 0.00 -2.02 0.00 0.00 58.31 56.16 1yuu n LYS 91 Cb 0.23 -0.97 -0.01 0.00 -0.02 0.00 0.00 35.03 34.27 1yuu n LYS 91 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1yuu n ASP 92 N -1.33 5.99 0.00 4.39 8.00 -1.25 -3.22 116.55 129.13 1yuu n ASP 92 Ca 0.00 -2.85 0.00 0.00 0.71 0.00 0.00 54.79 52.65 1yuu n ASP 92 Cb 0.00 -1.56 0.00 0.00 -0.02 0.00 0.00 41.12 39.54 1yuu n ASP 92 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yuu n LEU 93 N 4.45 0.02 -2.69 0.64 -0.00 -1.26 -5.00 117.00 113.16 1yuu n LEU 93 Ca 0.59 0.00 -0.05 0.00 -0.00 0.00 0.00 56.01 56.55 1yuu n LEU 93 Cb 0.32 0.00 0.11 0.00 -0.00 0.00 0.00 43.42 43.86 1yuu n LEU 93 CO 0.85 -0.39 0.49 2.29 -0.00 0.00 0.00 177.39 180.63 1yuu n LYS 94 N -2.36 1.30 -3.62 1.47 -0.00 -1.23 -5.10 118.16 108.62 1yuu n LYS 94 Ca 0.00 -1.76 -0.13 0.00 -0.00 0.00 0.00 58.31 56.42 1yuu n LYS 94 Cb 0.02 -0.02 -0.05 0.00 -0.00 0.00 0.00 35.03 34.98 1yuu n LYS 94 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1yuu s ILE 95 N -0.31 0.05 0.00 0.58 -1.16 -1.20 -5.12 121.20 114.04 1yuu s ILE 95 Ca 0.17 -0.38 0.00 0.00 -0.51 0.00 0.00 60.65 59.93 1yuu s ILE 95 Cb 0.42 -1.00 0.00 0.00 0.61 0.00 0.00 42.46 42.49 1yuu s ILE 95 CO -0.10 -0.21 0.87 0.54 -2.81 0.00 0.00 174.94 173.23 1yuu n ARG 96 N 0.29 0.00 0.00 3.50 1.74 -1.26 -4.43 116.66 116.50 1yuu n ARG 96 Ca -0.18 0.76 0.00 0.00 -0.77 0.00 0.00 57.85 57.67 1yuu n ARG 96 Cb 0.61 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.68 1yuu n ARG 96 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1yuu n LYS 97 N -2.29 0.00 -0.31 5.56 2.85 -1.26 -4.82 118.16 117.89 1yuu n LYS 97 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1yuu n LYS 97 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1yuu n LYS 97 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98