#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ynn n ALA 2 N 0.00 0.00 -2.59 3.17 0.00 -1.26 -4.84 120.51 114.99 1ynn n ALA 2 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1ynn n ALA 2 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1ynn n ALA 2 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ynn s GLU 3 N 0.00 2.43 -0.84 0.00 0.41 -1.26 -5.03 118.70 114.41 1ynn s GLU 3 Ca 0.00 -0.81 -0.32 0.00 -0.41 0.00 0.00 54.97 53.43 1ynn s GLU 3 Cb 0.00 -2.44 -0.19 0.00 -1.78 0.00 0.00 34.13 29.72 1ynn s GLU 3 CO 0.00 0.57 2.57 -2.30 -0.49 0.00 0.00 175.26 175.61 1ynn n PRO 4 N 1.26 0.20 -3.98 0.39 -0.02 -1.26 -3.42 135.00 128.17 1ynn n PRO 4 Ca -0.14 0.01 -0.39 0.00 -2.02 0.00 0.00 63.50 60.96 1ynn n PRO 4 Cb 0.52 -1.83 0.01 0.00 -0.02 0.00 0.00 33.50 32.19 1ynn n PRO 4 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ynn n GLY 5 N 6.55 -0.93 0.12 -1.23 0.00 -1.26 -4.87 105.19 103.57 1ynn n GLY 5 Ca 0.59 0.39 -0.01 0.00 0.00 0.00 0.00 46.02 47.00 1ynn n GLY 5 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ynn h ILE 6 N -1.77 1.24 -0.31 -0.61 -0.00 -2.00 -3.06 117.51 111.00 1ynn h ILE 6 Ca -0.66 -2.44 -0.14 0.00 -0.00 0.00 0.00 64.86 61.61 1ynn h ILE 6 Cb 1.34 2.41 -0.01 0.00 -0.00 0.00 0.00 36.82 40.56 1ynn h ILE 6 CO 0.45 0.64 -0.37 0.44 -0.00 0.00 0.00 178.15 179.31 1ynn h ASP 7 N 0.00 0.76 0.61 2.19 3.32 -1.91 -2.59 116.42 118.81 1ynn h ASP 7 Ca -0.01 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 56.70 1ynn h ASP 7 Cb 1.36 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.69 1ynn h ASP 7 CO 0.09 1.05 -0.04 0.11 -1.72 0.00 0.00 179.24 178.73 1ynn h LYS 8 N 0.60 0.00 0.04 3.56 1.57 -1.92 -3.20 116.57 117.22 1ynn h LYS 8 Ca 0.06 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 1ynn h LYS 8 Cb 0.91 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.22 1ynn h LYS 8 CO 0.08 0.04 -0.36 -0.07 -0.57 0.00 0.00 179.45 178.57 1ynn h LEU 9 N 0.00 0.25 -1.92 2.94 3.38 -1.46 -3.28 115.31 115.22 1ynn h LEU 9 Ca -0.00 -0.89 0.16 0.00 0.09 0.00 0.00 57.88 57.24 1ynn h LEU 9 Cb 0.36 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1ynn h LEU 9 CO 0.01 1.11 0.43 -0.26 0.09 0.00 0.00 178.44 179.82 1ynn h PHE 10 N -0.58 0.10 -0.23 1.13 0.05 -1.53 -2.17 116.94 113.71 1ynn h PHE 10 Ca -0.06 0.00 -0.09 0.00 3.82 0.00 0.00 57.97 61.65 1ynn h PHE 10 Cb 1.20 -0.03 -0.01 0.00 2.00 0.00 0.00 35.95 39.11 1ynn h PHE 10 CO 0.21 0.04 -0.25 0.78 -0.18 0.00 0.00 178.31 178.91 1ynn h GLY 11 N 0.08 0.46 1.36 -1.45 0.00 -1.62 -2.84 103.07 99.07 1ynn h GLY 11 Ca 0.29 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 1ynn h GLY 11 CO -0.03 0.34 0.33 -0.33 0.00 0.00 0.00 176.54 176.86 1ynn h MET 12 N 0.38 0.84 -6.25 4.80 2.86 -1.51 -3.45 114.93 112.60 1ynn h MET 12 Ca 0.06 -0.09 -0.46 0.00 -2.06 0.00 0.00 59.70 57.15 1ynn h MET 12 Cb 0.64 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1ynn h MET 12 CO 0.05 0.62 -0.38 0.14 1.06 0.00 0.00 176.91 178.39 1ynn s VAL 13 N -5.57 5.21 0.06 -2.22 -7.23 -1.07 -5.03 120.40 104.54 1ynn s VAL 13 Ca -0.10 -0.89 -0.06 0.00 -1.81 0.00 0.00 61.98 59.11 1ynn s VAL 13 Cb 0.17 -3.85 -0.30 0.00 0.56 0.00 0.00 36.38 32.96 1ynn s VAL 13 CO 0.78 -0.37 1.10 -2.24 -0.31 0.00 0.00 175.10 174.05 1ynn h ASP 14 N 1.09 0.50 -3.32 4.85 2.03 -1.87 -3.45 116.42 116.25 1ynn h ASP 14 Ca -0.51 -0.55 -0.46 0.00 -0.73 0.00 0.00 57.03 54.78 1ynn h ASP 14 Cb 1.23 -0.16 -0.36 0.00 -0.83 0.00 0.00 39.33 39.21 1ynn h ASP 14 CO 0.61 1.43 -0.78 -0.55 -1.03 0.00 0.00 179.24 178.91 1ynn s SER 15 N -7.22 1.56 0.00 4.15 0.15 -1.26 -5.04 113.70 106.04 1ynn s SER 15 Ca -0.05 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.42 1ynn s SER 15 Cb 0.06 -0.60 0.00 0.00 -1.71 0.00 0.00 66.02 63.78 1ynn s SER 15 CO 0.89 -0.10 0.00 1.17 1.20 0.00 0.00 173.24 176.40 1ynn n LYS 16 N 4.57 0.00 0.27 5.44 4.81 -1.26 0.96 118.16 132.96 1ynn n LYS 16 Ca -0.16 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.41 1ynn n LYS 16 Cb 0.50 0.00 0.77 0.00 0.02 0.00 0.00 35.03 36.33 1ynn n LYS 16 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1ynn h TYR 17 N 0.00 0.00 0.37 5.64 0.05 -1.99 -1.98 116.97 119.06 1ynn h TYR 17 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 1ynn h TYR 17 Cb 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 1ynn h TYR 17 CO 0.00 0.09 -0.39 -0.09 -1.05 0.00 0.00 178.16 176.71 1ynn h ARG 18 N 0.00 -0.76 -0.74 4.88 2.43 0.17 0.26 114.38 120.62 1ynn h ARG 18 Ca -0.00 0.05 0.17 0.00 -0.81 0.00 0.00 59.98 59.39 1ynn h ARG 18 Cb 0.23 0.17 -0.13 0.00 -0.42 0.00 0.00 29.97 29.82 1ynn h ARG 18 CO 0.01 -0.51 0.02 1.25 -1.51 0.00 0.00 179.97 179.23 1ynn h LEU 19 N -0.79 -0.31 -0.48 3.80 5.85 -1.45 0.18 115.31 122.11 1ynn h LEU 19 Ca -0.03 0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.91 1ynn h LEU 19 Cb 0.71 0.33 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 1ynn h LEU 19 CO -0.08 -0.16 0.28 0.74 -0.34 0.00 0.00 178.44 178.88 1ynn h THR 20 N 0.12 1.03 -0.33 1.05 2.02 -1.30 -1.42 112.91 114.08 1ynn h THR 20 Ca 0.41 -0.19 -0.11 0.00 0.77 0.00 0.00 66.41 67.28 1ynn h THR 20 Cb 0.71 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1ynn h THR 20 CO -0.64 0.10 -0.25 0.58 0.37 0.00 0.00 175.52 175.68 1ynn h VAL 21 N 0.56 1.27 0.40 3.16 2.07 0.22 -2.52 116.25 121.41 1ynn h VAL 21 Ca 0.20 -1.34 -0.02 0.00 0.82 0.00 0.00 66.70 66.35 1ynn h VAL 21 Cb 0.04 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1ynn h VAL 21 CO -0.10 0.44 -0.19 0.58 0.02 0.00 0.00 177.57 178.32 1ynn h VAL 22 N 0.58 0.19 -1.27 2.57 2.07 -0.78 -2.51 116.25 117.10 1ynn h VAL 22 Ca 0.08 -0.65 0.37 0.00 0.82 0.00 0.00 66.70 67.32 1ynn h VAL 22 Cb 0.73 0.31 -0.09 0.00 -1.52 0.00 0.00 31.29 30.72 1ynn h VAL 22 CO 0.06 0.04 0.85 0.58 0.02 0.00 0.00 177.57 179.12 1ynn h VAL 23 N -1.08 0.31 0.67 2.57 2.07 -1.30 0.23 116.25 119.71 1ynn h VAL 23 Ca -0.05 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 1ynn h VAL 23 Cb 0.48 0.14 0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1ynn h VAL 23 CO 0.09 0.03 -0.32 0.00 0.02 0.00 0.00 177.57 177.39 1ynn h ALA 24 N 1.50 -0.96 -0.42 1.67 0.00 -1.44 -2.78 119.26 116.84 1ynn h ALA 24 Ca 0.70 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.39 1ynn h ALA 24 Cb 2.28 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 20.40 1ynn h ALA 24 CO -0.24 -0.89 0.18 0.87 0.00 0.00 0.00 179.25 179.17 1ynn h LYS 25 N -1.17 0.59 -0.43 0.00 1.57 -0.19 0.25 116.57 117.18 1ynn h LYS 25 Ca -0.09 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.50 1ynn h LYS 25 Cb 0.69 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1ynn h LYS 25 CO 0.15 0.48 -0.17 -0.09 -0.57 0.00 0.00 179.45 179.25 1ynn h ARG 26 N 0.59 0.88 -0.23 3.15 9.65 -1.08 -1.23 114.38 126.11 1ynn h ARG 26 Ca 0.15 -0.37 -0.08 0.00 -1.10 0.00 0.00 59.98 58.58 1ynn h ARG 26 Cb 0.10 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.64 1ynn h ARG 26 CO -0.02 1.02 -0.19 0.00 2.80 0.00 0.00 179.97 183.58 1ynn h ALA 27 N 0.84 1.26 -0.56 2.80 0.00 -0.99 -0.04 119.26 122.58 1ynn h ALA 27 Ca 0.10 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1ynn h ALA 27 Cb 0.73 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1ynn h ALA 27 CO 0.06 0.49 0.28 0.37 0.00 0.00 0.00 179.25 180.44 1ynn h GLN 28 N 0.37 0.79 0.03 0.00 4.15 -0.16 0.29 115.11 120.58 1ynn h GLN 28 Ca 0.06 -0.11 -0.22 0.00 0.77 0.00 0.00 58.65 59.15 1ynn h GLN 28 Cb 0.54 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 1ynn h GLN 28 CO 0.04 0.64 -0.99 -0.56 -1.93 0.00 0.00 178.83 176.02 1ynn h GLN 29 N 0.75 0.19 -0.74 1.69 3.07 -1.15 -3.17 115.11 115.74 1ynn h GLN 29 Ca 0.19 -0.25 -0.05 0.00 0.09 0.00 0.00 58.65 58.64 1ynn h GLN 29 Cb 0.10 0.08 -0.03 0.00 0.08 0.00 0.00 27.48 27.71 1ynn h GLN 29 CO -0.03 1.03 0.28 1.25 0.09 0.00 0.00 178.83 181.46 1ynn h LEU 30 N 0.08 1.03 -0.03 0.06 5.85 -0.73 -3.06 115.31 118.52 1ynn h LEU 30 Ca -0.06 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 1ynn h LEU 30 Cb 1.67 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 42.43 1ynn h LEU 30 CO 0.15 0.92 0.00 0.25 -0.34 0.00 0.00 178.44 179.43 1ynn h LEU 31 N 1.09 0.05 0.37 2.25 5.85 -0.47 -3.06 115.31 121.40 1ynn h LEU 31 Ca 0.25 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1ynn h LEU 31 Cb 0.23 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1ynn h LEU 31 CO -0.02 0.34 -0.34 -0.09 -0.34 0.00 0.00 178.44 177.99 1ynn h ARG 32 N -0.24 -0.71 -3.66 1.25 2.43 -1.53 -3.29 114.38 108.63 1ynn h ARG 32 Ca 0.01 0.05 -0.75 0.00 -0.81 0.00 0.00 59.98 58.48 1ynn h ARG 32 Cb 0.31 0.16 -0.14 0.00 -0.42 0.00 0.00 29.97 29.88 1ynn h ARG 32 CO 0.00 -0.47 2.10 0.72 -1.51 0.00 0.00 179.97 180.81 1ynn n HIS 33 N -5.46 3.15 -0.23 2.20 8.25 -1.16 -4.40 115.22 117.58 1ynn n HIS 33 Ca -0.10 -2.85 0.00 0.00 -0.26 0.00 0.00 57.72 54.52 1ynn n HIS 33 Cb 0.36 -2.03 0.00 0.00 1.12 0.00 0.00 29.99 29.44 1ynn n HIS 33 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1ynn n ARG 34 N 4.25 -0.03 -0.29 -0.41 1.85 -1.24 -0.60 116.66 120.19 1ynn n ARG 34 Ca 0.41 -0.02 0.00 0.00 -1.00 0.00 0.00 57.85 57.24 1ynn n ARG 34 Cb 0.37 0.03 0.00 0.00 -1.05 0.00 0.00 32.46 31.81 1ynn n ARG 34 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1ynn n PHE 35 N -0.05 0.00 0.66 2.89 3.01 -1.16 -4.71 117.46 118.10 1ynn n PHE 35 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1ynn n PHE 35 Cb 0.00 -1.01 0.00 0.00 -0.01 0.00 0.00 39.48 38.46 1ynn n PHE 35 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1ynn n LYS 36 N -0.15 0.66 -0.03 -1.08 5.02 0.23 -3.04 118.16 119.78 1ynn n LYS 36 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ynn n LYS 36 Cb 0.06 -1.30 -0.07 0.00 -0.02 0.00 0.00 35.03 33.70 1ynn n LYS 36 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1ynn n ASN 37 N 0.27 2.94 -2.92 4.39 2.85 -1.26 -4.96 115.26 116.57 1ynn n ASN 37 Ca 0.00 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.16 1ynn n ASN 37 Cb 0.20 1.00 -0.01 0.00 1.24 0.00 0.00 39.78 42.21 1ynn n ASN 37 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1ynn n THR 38 N -2.10 0.99 0.50 -0.44 -1.04 -1.17 -4.93 114.28 106.08 1ynn n THR 38 Ca -0.09 -0.33 0.07 0.00 -2.04 0.00 0.00 64.05 61.66 1ynn n THR 38 Cb 0.54 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 69.12 1ynn n THR 38 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1ynn n VAL 39 N -0.26 0.09 0.02 12.58 0.31 -1.26 -4.54 118.33 125.26 1ynn n VAL 39 Ca 0.10 -0.54 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 1ynn n VAL 39 Cb 0.21 1.21 -0.01 0.00 -0.91 0.00 0.00 33.84 34.34 1ynn n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ynn n LEU 40 N 0.76 0.02 0.00 7.52 -0.00 -1.26 -4.98 117.00 119.06 1ynn n LEU 40 Ca 0.08 -0.24 0.00 0.00 -0.00 0.00 0.00 56.01 55.86 1ynn n LEU 40 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.77 1ynn n LEU 40 CO 0.09 0.01 0.00 1.21 -0.00 0.00 0.00 177.39 178.69 1ynn n GLU 41 N -1.29 0.00 0.00 1.47 2.13 -1.26 -3.96 120.64 117.72 1ynn n GLU 41 Ca -0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1ynn n GLU 41 Cb 0.02 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.73 1ynn n GLU 41 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1ynn n PRO 42 N 0.00 0.00 -0.14 5.31 -0.01 -1.26 -3.07 135.00 135.83 1ynn n PRO 42 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 63.50 63.54 1ynn n PRO 42 Cb 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 33.50 33.60 1ynn n PRO 42 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 175.50 175.88 1ynn n GLU 43 N 0.00 2.72 0.08 -0.52 4.71 -1.26 -4.46 120.64 121.90 1ynn n GLU 43 Ca 0.00 -2.04 0.05 0.00 -0.01 0.00 0.00 57.16 55.15 1ynn n GLU 43 Cb 0.00 -1.29 -0.03 0.00 -1.01 0.00 0.00 31.44 29.11 1ynn n GLU 43 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1ynn h GLU 44 N 1.02 0.00 -6.23 3.49 5.08 -1.69 -3.48 114.58 112.77 1ynn h GLU 44 Ca 0.00 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.67 1ynn h GLU 44 Cb 0.79 0.00 0.07 0.00 0.50 0.00 0.00 28.75 30.11 1ynn h GLU 44 CO 0.03 0.20 0.26 2.89 -1.00 0.00 0.00 179.01 181.39 1ynn n ARG 45 N -2.86 0.89 -2.48 2.33 1.85 -1.17 -4.93 116.66 110.29 1ynn n ARG 45 Ca -0.04 0.32 -0.36 0.00 -1.00 0.00 0.00 57.85 56.76 1ynn n ARG 45 Cb 0.71 -1.84 -0.03 0.00 -1.05 0.00 0.00 32.46 30.24 1ynn n ARG 45 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1ynn s PRO 46 N -0.03 4.04 0.21 2.89 0.04 -1.26 -4.99 135.00 135.90 1ynn s PRO 46 Ca 0.80 1.55 0.01 0.00 0.04 0.00 0.00 61.00 63.40 1ynn s PRO 46 Cb -0.97 -2.47 -0.05 0.00 0.04 0.00 0.00 34.50 31.06 1ynn s PRO 46 CO 0.51 -0.26 0.07 0.15 0.04 0.00 0.00 177.00 177.51 1ynn s LYS 47 N -2.61 1.23 0.51 4.56 1.02 -1.26 -1.61 119.74 121.56 1ynn s LYS 47 Ca 0.60 -1.63 0.04 0.00 0.02 0.00 0.00 55.97 55.00 1ynn s LYS 47 Cb -0.23 -0.13 0.00 0.00 -0.52 0.00 0.00 37.83 36.96 1ynn s LYS 47 CO 0.28 -0.25 0.21 -1.64 -0.92 0.00 0.00 175.35 173.03 1ynn s MET 48 N -4.02 2.22 -0.04 1.68 -1.94 0.37 -4.62 119.30 112.97 1ynn s MET 48 Ca 0.32 -2.13 -0.01 0.00 -1.71 0.00 0.00 55.69 52.16 1ynn s MET 48 Cb 0.07 -1.86 0.03 0.00 2.01 0.00 0.00 34.83 35.08 1ynn s MET 48 CO 0.09 -0.42 0.07 -0.98 -0.01 0.00 0.00 175.02 173.77 1ynn s ARG 49 N -4.06 0.02 0.00 2.03 1.70 -1.26 -2.01 118.95 115.38 1ynn s ARG 49 Ca 0.25 0.24 0.00 0.00 -0.47 0.00 0.00 55.73 55.75 1ynn s ARG 49 Cb 0.00 -0.19 0.00 0.00 -0.57 0.00 0.00 34.95 34.20 1ynn s ARG 49 CO 0.15 -0.15 0.00 0.25 -1.08 0.00 0.00 175.30 174.47 1ynn n THR 50 N 4.03 0.00 1.24 4.99 -2.24 -1.26 -4.91 114.28 116.14 1ynn n THR 50 Ca -0.25 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.67 1ynn n THR 50 Cb 0.52 0.00 0.57 0.00 -2.10 0.00 0.00 70.33 69.32 1ynn n THR 50 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ynn n LEU 51 N 0.00 0.30 0.00 3.22 -0.00 -1.26 -4.51 117.00 114.75 1ynn n LEU 51 Ca 0.00 0.16 0.00 0.00 -0.00 0.00 0.00 56.01 56.17 1ynn n LEU 51 Cb 0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 43.42 43.13 1ynn n LEU 51 CO 0.00 0.06 0.00 -0.62 -0.00 0.00 0.00 177.39 176.83 1ynn n GLU 52 N -1.22 0.00 0.00 1.47 -0.58 -1.26 -5.18 120.64 113.87 1ynn n GLU 52 Ca 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1ynn n GLU 52 Cb 0.30 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.17 1ynn n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ynn n GLY 53 N 3.44 4.11 3.89 0.62 0.00 -1.26 -5.08 105.19 110.91 1ynn n GLY 53 Ca 0.00 -1.58 -0.35 0.00 0.00 0.00 0.00 46.02 44.08 1ynn n GLY 53 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1ynn n LEU 54 N 0.00 -1.78 -4.61 0.99 -0.00 -0.85 -4.82 117.00 105.93 1ynn n LEU 54 Ca 0.00 -1.13 -0.34 0.00 -0.00 0.00 0.00 56.01 54.54 1ynn n LEU 54 Cb 0.00 -2.06 -0.11 0.00 -0.00 0.00 0.00 43.42 41.25 1ynn n LEU 54 CO 0.00 0.58 -0.36 -0.31 -0.00 0.00 0.00 177.39 177.30 1ynn s TYR 55 N -3.63 3.00 0.12 1.47 2.02 -1.24 -4.86 117.35 114.23 1ynn s TYR 55 Ca 0.37 0.07 -0.35 0.00 -0.37 0.00 0.00 57.07 56.79 1ynn s TYR 55 Cb -0.16 -1.73 -0.17 0.00 -0.40 0.00 0.00 41.96 39.50 1ynn s TYR 55 CO 0.91 0.37 1.15 -0.25 -1.57 0.00 0.00 175.55 176.16 1ynn n ASP 56 N 2.18 1.01 -4.62 2.29 8.00 -1.26 -0.48 116.55 123.67 1ynn n ASP 56 Ca -0.18 1.14 -0.43 0.00 0.71 0.00 0.00 54.79 56.03 1ynn n ASP 56 Cb 0.53 -1.14 -0.03 0.00 -0.02 0.00 0.00 41.12 40.47 1ynn n ASP 56 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ynn s ASP 57 N 0.06 6.20 0.47 -2.24 -1.08 -0.63 -4.68 116.67 114.76 1ynn s ASP 57 Ca 0.79 1.51 0.18 0.00 -0.52 0.00 0.00 52.55 54.51 1ynn s ASP 57 Cb -0.96 -2.53 1.13 0.00 -1.46 0.00 0.00 42.92 39.10 1ynn s ASP 57 CO 0.52 -1.43 2.01 -0.65 0.52 0.00 0.00 175.17 176.14 1ynn h PRO 58 N 11.53 0.00 -6.21 4.34 0.11 -1.91 -3.43 132.00 136.43 1ynn h PRO 58 Ca -0.34 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.19 1ynn h PRO 58 Cb 1.16 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1ynn h PRO 58 CO 1.01 0.17 1.32 1.21 -0.21 0.00 0.00 178.00 181.50 1ynn s ASN 59 N -6.76 5.80 0.31 -2.05 2.47 -1.26 -4.87 114.94 108.58 1ynn s ASN 59 Ca -0.04 1.40 -0.00 0.00 0.42 0.00 0.00 52.86 54.64 1ynn s ASN 59 Cb 0.15 -2.52 0.50 0.00 -1.45 0.00 0.00 41.25 37.93 1ynn s ASN 59 CO 0.67 -1.77 1.95 0.00 -3.72 0.00 0.00 177.10 174.23 1ynn h ALA 60 N 13.33 1.42 -0.02 1.71 0.00 -1.92 -2.69 119.26 131.09 1ynn h ALA 60 Ca -0.35 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.49 1ynn h ALA 60 Cb 1.18 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1ynn h ALA 60 CO 1.02 0.50 -0.07 0.28 0.00 0.00 0.00 179.25 180.98 1ynn h VAL 61 N 0.96 0.81 -0.43 0.00 2.07 -1.89 -1.61 116.25 116.15 1ynn h VAL 61 Ca 0.25 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.86 1ynn h VAL 61 Cb -0.03 0.81 -0.10 0.00 -1.52 0.00 0.00 31.29 30.45 1ynn h VAL 61 CO -0.05 0.00 -0.30 0.74 0.02 0.00 0.00 177.57 177.98 1ynn h THR 62 N -0.12 0.25 -0.38 2.57 2.02 -1.89 -2.46 112.91 112.90 1ynn h THR 62 Ca 0.04 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.29 1ynn h THR 62 Cb 0.16 0.25 -0.06 0.00 -1.74 0.00 0.00 68.15 66.76 1ynn h THR 62 CO -0.09 0.00 -0.03 -0.50 0.37 0.00 0.00 175.52 175.27 1ynn h TRP 63 N -0.21 -0.07 -0.56 3.16 4.06 -1.19 -1.36 115.95 119.77 1ynn h TRP 63 Ca 0.19 0.03 0.11 0.00 2.06 0.00 0.00 58.89 61.28 1ynn h TRP 63 Cb 0.52 0.09 -0.08 0.00 -1.00 0.00 0.00 29.16 28.69 1ynn h TRP 63 CO -0.54 -0.10 0.08 0.00 -3.56 0.00 0.00 178.44 174.32 1ynn h ALA 64 N 1.35 0.62 -0.87 1.49 0.00 -0.87 0.58 119.26 121.56 1ynn h ALA 64 Ca 0.18 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1ynn h ALA 64 Cb 0.27 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1ynn h ALA 64 CO -0.33 -0.34 0.50 0.52 0.00 0.00 0.00 179.25 179.60 1ynn h MET 65 N 0.21 1.20 -0.06 0.00 2.86 -0.90 0.45 114.93 118.69 1ynn h MET 65 Ca 0.29 -0.13 -0.22 0.00 -2.06 0.00 0.00 59.70 57.59 1ynn h MET 65 Cb 0.44 -0.24 0.01 0.00 0.06 0.00 0.00 31.60 31.86 1ynn h MET 65 CO -0.41 0.86 -0.86 -0.22 1.06 0.00 0.00 176.91 177.34 1ynn h LYS 66 N 1.21 0.55 -0.50 1.72 3.64 -1.17 -3.10 116.57 118.92 1ynn h LYS 66 Ca 0.31 -0.51 -0.07 0.00 -1.27 0.00 0.00 60.65 59.11 1ynn h LYS 66 Cb -0.01 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1ynn h LYS 66 CO -0.05 1.14 0.05 1.49 -2.27 0.00 0.00 179.45 179.80 1ynn h GLU 67 N 0.34 0.80 -0.32 1.90 4.81 -0.43 -3.16 114.58 118.54 1ynn h GLU 67 Ca -0.07 -0.20 -0.13 0.00 -0.13 0.00 0.00 59.36 58.84 1ynn h GLU 67 Cb 1.48 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.75 1ynn h GLU 67 CO 0.16 0.78 -0.32 1.25 -0.73 0.00 0.00 179.01 180.15 1ynn h LEU 68 N 0.76 0.71 -1.57 1.64 5.85 -0.08 -3.22 115.31 119.41 1ynn h LEU 68 Ca 0.16 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1ynn h LEU 68 Cb 0.40 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1ynn h LEU 68 CO 0.01 0.98 0.00 0.00 -0.34 0.00 0.00 178.44 179.10 1ynn n LEU 69 N -4.07 2.29 -0.87 2.25 -0.00 -1.17 -2.81 117.00 112.62 1ynn n LEU 69 Ca -0.01 -1.15 0.12 0.00 -0.00 0.00 0.00 56.01 54.97 1ynn n LEU 69 Cb 0.48 -0.35 0.28 0.00 -0.00 0.00 0.00 43.42 43.82 1ynn n LEU 69 CO 0.45 0.44 0.73 0.35 -0.00 0.00 0.00 177.39 179.36 1ynn n THR 70 N 0.41 0.30 0.00 1.47 -2.24 -1.21 -4.95 114.28 108.05 1ynn n THR 70 Ca 0.12 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1ynn n THR 70 Cb 0.43 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 1ynn n THR 70 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ynn n GLY 71 N 1.33 1.34 0.33 3.38 0.00 -1.12 -4.76 105.19 105.69 1ynn n GLY 71 Ca 0.17 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.41 1ynn n GLY 71 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ynn h ARG 72 N 0.00 0.04 -7.11 1.61 3.08 -1.83 -3.41 114.38 106.76 1ynn h ARG 72 Ca 0.00 -0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.55 1ynn h ARG 72 Cb 0.00 -0.01 0.08 0.00 0.08 0.00 0.00 29.97 30.12 1ynn h ARG 72 CO 0.00 0.02 0.42 -0.51 -1.07 0.00 0.00 179.97 178.84 1ynn s LEU 73 N -10.75 3.68 -0.11 3.04 1.43 -1.26 -5.05 118.68 109.66 1ynn s LEU 73 Ca -0.11 2.14 -0.00 0.00 -1.03 0.00 0.00 54.13 55.12 1ynn s LEU 73 Cb 0.31 -4.57 0.02 0.00 0.03 0.00 0.00 46.19 41.98 1ynn s LEU 73 CO 0.78 -1.29 -0.09 -0.36 0.23 0.00 0.00 176.35 175.62 1ynn s PHE 74 N -1.88 1.58 0.13 0.29 0.08 -1.26 -5.09 117.98 111.81 1ynn s PHE 74 Ca 0.72 -0.79 0.07 0.00 0.12 0.00 0.00 56.93 57.04 1ynn s PHE 74 Cb -0.23 -1.27 -0.04 0.00 -0.57 0.00 0.00 43.02 40.91 1ynn s PHE 74 CO 0.30 -0.52 -0.04 -0.59 -0.10 0.00 0.00 175.22 174.26 1ynn s PHE 75 N 1.60 2.83 0.09 0.36 -0.12 -1.26 -5.14 117.98 116.34 1ynn s PHE 75 Ca 0.03 -0.12 -0.16 0.00 -0.05 0.00 0.00 56.93 56.63 1ynn s PHE 75 Cb -0.13 -1.44 0.03 0.00 -0.63 0.00 0.00 43.02 40.86 1ynn s PHE 75 CO -0.08 0.47 0.39 0.20 -0.05 0.00 0.00 175.22 176.16 1ynn s GLY 76 N -2.49 -0.26 0.08 1.99 0.00 -1.26 -5.06 107.32 100.32 1ynn s GLY 76 Ca 0.25 0.07 -0.01 0.00 0.00 0.00 0.00 44.72 45.03 1ynn s GLY 76 CO 0.16 -0.18 1.15 -2.09 0.00 0.00 0.00 173.10 172.14 1ynn h GLU 77 N 2.66 0.19 -0.17 2.90 4.22 -2.02 -3.43 114.58 118.93 1ynn h GLU 77 Ca -0.33 -0.32 -0.13 0.00 0.08 0.00 0.00 59.36 58.66 1ynn h GLU 77 Cb 1.23 0.12 -0.14 0.00 0.50 0.00 0.00 28.75 30.46 1ynn h GLU 77 CO 0.46 1.14 -0.30 -1.71 -2.18 0.00 0.00 179.01 176.42 1ynn n ASN 78 N -3.47 -2.28 -3.68 1.04 2.85 -1.26 -5.12 115.26 103.34 1ynn n ASN 78 Ca -0.07 -2.46 -0.18 0.00 -0.11 0.00 0.00 54.58 51.76 1ynn n ASN 78 Cb 1.00 1.32 -0.17 0.00 1.24 0.00 0.00 39.78 43.17 1ynn n ASN 78 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1ynn s LEU 79 N -0.07 0.21 0.00 1.20 2.96 -1.26 -5.06 118.68 116.66 1ynn s LEU 79 Ca 0.29 0.16 0.00 0.00 -0.22 0.00 0.00 54.13 54.36 1ynn s LEU 79 Cb 0.18 0.01 0.00 0.00 0.50 0.00 0.00 46.19 46.88 1ynn s LEU 79 CO -0.15 -0.23 0.00 0.52 -1.32 0.00 0.00 176.35 175.17 1ynn n VAL 80 N 5.13 -0.23 -2.93 1.68 0.31 -1.26 -4.93 118.33 116.10 1ynn n VAL 80 Ca -0.07 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.86 1ynn n VAL 80 Cb 0.50 -0.23 -0.05 0.00 -0.91 0.00 0.00 33.84 33.15 1ynn n VAL 80 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1ynn s PRO 81 N -3.40 4.56 0.15 5.55 0.04 -1.26 -4.98 135.00 135.65 1ynn s PRO 81 Ca 0.00 1.17 -0.15 0.00 0.04 0.00 0.00 61.00 62.06 1ynn s PRO 81 Cb 0.00 -3.34 0.02 0.00 0.04 0.00 0.00 34.50 31.22 1ynn s PRO 81 CO 0.00 0.34 1.73 1.05 0.04 0.00 0.00 177.00 180.16 1ynn h GLU 82 N 5.31 0.64 0.00 4.56 9.09 -1.97 -0.32 114.58 131.89 1ynn h GLU 82 Ca -0.44 -0.09 -0.00 0.00 0.05 0.00 0.00 59.36 58.87 1ynn h GLU 82 Cb 1.21 -0.12 -0.00 0.00 -1.65 0.00 0.00 28.75 28.19 1ynn h GLU 82 CO 0.70 0.55 -0.00 0.38 0.05 0.00 0.00 179.01 180.69 1ynn h ASP 83 N 0.58 0.00 -0.01 3.06 3.04 -2.02 0.77 116.42 121.85 1ynn h ASP 83 Ca 0.15 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.94 1ynn h ASP 83 Cb 0.12 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.41 1ynn h ASP 83 CO -0.02 0.00 -0.26 0.54 -2.04 0.00 0.00 179.24 177.46 1ynn n ARG 84 N -3.10 2.58 0.05 4.15 3.00 -1.06 -4.43 116.66 117.85 1ynn n ARG 84 Ca -0.03 -0.44 0.12 0.00 -0.01 0.00 0.00 57.85 57.49 1ynn n ARG 84 Cb 0.09 -1.04 0.18 0.00 0.00 0.00 0.00 32.46 31.69 1ynn n ARG 84 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1ynn n LEU 85 N -0.51 0.67 0.05 0.55 4.77 0.16 -3.68 117.00 119.02 1ynn n LEU 85 Ca 0.03 0.21 -0.21 0.00 -0.03 0.00 0.00 56.01 56.01 1ynn n LEU 85 Cb 0.19 -0.19 -0.15 0.00 -2.33 0.00 0.00 43.42 40.94 1ynn n LEU 85 CO 0.14 -0.04 -0.10 0.06 -1.33 0.00 0.00 177.39 176.12 1ynn h GLN 86 N 0.00 0.32 -0.02 3.23 3.07 -1.48 -3.37 115.11 116.86 1ynn h GLN 86 Ca 0.00 -0.55 -0.10 0.00 0.09 0.00 0.00 58.65 58.09 1ynn h GLN 86 Cb 0.72 0.20 0.01 0.00 0.08 0.00 0.00 27.48 28.49 1ynn h GLN 86 CO 0.00 1.26 -0.38 0.87 0.09 0.00 0.00 178.83 180.68 1ynn h LYS 87 N -0.28 0.28 0.00 0.06 1.57 -1.80 -3.26 116.57 113.14 1ynn h LYS 87 Ca -0.20 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1ynn h LYS 87 Cb 1.75 0.08 0.00 0.00 0.08 0.00 0.00 32.23 34.13 1ynn h LYS 87 CO 0.15 0.97 0.00 -0.85 -0.57 0.00 0.00 179.45 179.15 1ynn n GLU 88 N -4.40 0.04 0.18 3.15 0.00 -1.24 -2.41 120.64 115.96 1ynn n GLU 88 Ca -0.10 0.46 0.04 0.00 0.00 0.00 0.00 57.16 57.57 1ynn n GLU 88 Cb 0.56 -1.61 0.33 0.00 0.00 0.00 0.00 31.44 30.72 1ynn n GLU 88 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.13 177.65 1ynn h MET 89 N 0.00 0.00 -5.81 3.44 2.86 -1.72 -3.37 114.93 110.33 1ynn h MET 89 Ca 0.00 0.00 -0.66 0.00 -2.06 0.00 0.00 59.70 56.98 1ynn h MET 89 Cb 0.08 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.65 1ynn h MET 89 CO 0.00 0.41 1.93 -1.21 1.06 0.00 0.00 176.91 179.10 1ynn s GLU 90 N -3.76 3.89 0.00 1.72 2.02 -1.01 -4.54 118.70 117.01 1ynn s GLU 90 Ca -0.01 -1.82 0.00 0.00 0.02 0.00 0.00 54.97 53.16 1ynn s GLU 90 Cb 0.12 -5.44 0.00 0.00 0.10 0.00 0.00 34.13 28.91 1ynn s GLU 90 CO 0.70 -2.19 0.00 0.54 0.02 0.00 0.00 175.26 174.33 1ynn n ARG 91 N 8.25 2.02 -3.39 1.61 5.12 -1.26 -4.94 116.66 124.08 1ynn n ARG 91 Ca 0.43 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 56.09 1ynn n ARG 91 Cb 0.47 -0.86 -0.09 0.00 -1.16 0.00 0.00 32.46 30.82 1ynn n ARG 91 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1ynn n LEU 92 N -1.79 0.95 -2.22 0.55 4.77 -1.26 -5.00 117.00 113.00 1ynn n LEU 92 Ca 0.00 -4.79 -0.03 0.00 -0.03 0.00 0.00 56.01 51.16 1ynn n LEU 92 Cb 0.36 0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.63 1ynn n LEU 92 CO 0.00 1.96 -0.42 -1.22 -1.33 0.00 0.00 177.39 176.38 1ynn n TYR 93 N 1.84 -2.86 -1.17 -1.77 4.01 -1.26 -4.92 117.16 111.04 1ynn n TYR 93 Ca 0.25 1.59 0.00 0.00 -0.16 0.00 0.00 57.90 59.58 1ynn n TYR 93 Cb 0.47 -3.09 0.00 0.00 -0.31 0.00 0.00 39.34 36.41 1ynn n TYR 93 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1ynn n PRO 94 N 0.97 2.39 0.00 -0.72 -0.05 -1.26 -4.79 135.00 131.54 1ynn n PRO 94 Ca -0.22 0.00 0.09 0.00 -0.05 0.00 0.00 63.50 63.32 1ynn n PRO 94 Cb 0.34 0.00 0.54 0.00 -0.05 0.00 0.00 33.50 34.33 1ynn n PRO 94 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 175.50 173.08