#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y75 h THR 2 N 0.00 0.32 -1.00 5.53 2.02 -1.70 -1.05 112.91 117.03 1y75 h THR 2 Ca 0.00 -0.02 0.03 0.00 0.77 0.00 0.00 66.41 67.19 1y75 h THR 2 Cb 0.00 0.24 -0.06 0.00 -1.74 0.00 0.00 68.15 66.59 1y75 h THR 2 CO 0.00 0.01 0.65 1.88 0.37 0.00 0.00 175.52 178.44 1y75 h TYR 3 N 0.07 1.23 -0.26 3.16 0.05 -2.00 -0.61 116.97 118.61 1y75 h TYR 3 Ca 0.40 0.03 -0.08 0.00 0.05 0.00 0.00 58.73 59.13 1y75 h TYR 3 Cb 0.68 -0.41 -0.01 0.00 1.01 0.00 0.00 36.73 38.01 1y75 h TYR 3 CO -0.46 0.72 -0.13 1.96 -1.05 0.00 0.00 178.16 179.19 1y75 h GLN 4 N 1.27 0.55 -0.97 4.88 4.20 -1.65 -2.65 115.11 120.75 1y75 h GLN 4 Ca 0.39 -0.24 0.01 0.00 0.06 0.00 0.00 58.65 58.87 1y75 h GLN 4 Cb -0.02 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.69 1y75 h GLN 4 CO -0.12 0.81 0.64 0.35 -0.67 0.00 0.00 178.83 179.84 1y75 h PHE 5 N 0.28 1.22 -0.87 2.96 3.57 -1.04 -1.07 116.94 122.00 1y75 h PHE 5 Ca 0.06 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.61 1y75 h PHE 5 Cb 0.64 -0.41 -0.05 0.00 2.79 0.00 0.00 35.95 38.93 1y75 h PHE 5 CO 0.06 0.76 0.57 -0.09 -2.23 0.00 0.00 178.31 177.38 1y75 h ARG 6 N 1.31 1.10 -0.32 1.11 2.43 -0.91 -2.26 114.38 116.82 1y75 h ARG 6 Ca 0.36 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.36 1y75 h ARG 6 Cb -0.13 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.16 1y75 h ARG 6 CO -0.08 0.73 -0.21 -0.91 -1.51 0.00 0.00 179.97 177.98 1y75 h ASN 7 N 1.13 0.74 -0.82 -3.80 2.35 -0.88 -2.45 115.58 111.85 1y75 h ASN 7 Ca 0.33 -0.43 0.10 0.00 -0.55 0.00 0.00 56.30 55.74 1y75 h ASN 7 Cb -0.06 -0.21 -0.07 0.00 0.05 0.00 0.00 38.32 38.03 1y75 h ASN 7 CO -0.08 1.01 0.47 0.24 -1.65 0.00 0.00 177.43 177.41 1y75 h MET 8 N 0.47 0.75 0.09 0.81 2.86 -0.86 0.27 114.93 119.33 1y75 h MET 8 Ca 0.06 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1y75 h MET 8 Cb 0.76 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.25 1y75 h MET 8 CO 0.06 0.50 -0.04 0.82 1.06 0.00 0.00 176.91 179.30 1y75 h ILE 9 N 0.77 0.93 0.00 -1.22 2.04 -1.29 0.11 117.51 118.85 1y75 h ILE 9 Ca 0.40 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 66.17 1y75 h ILE 9 Cb 0.38 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1y75 h ILE 9 CO -0.26 0.02 -0.06 1.56 0.00 0.00 0.00 178.15 179.42 1y75 h GLN 10 N -0.16 0.00 0.43 2.37 4.20 -0.89 0.29 115.11 121.34 1y75 h GLN 10 Ca -0.01 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 1y75 h GLN 10 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1y75 h GLN 10 CO 0.02 0.06 -0.21 0.00 -0.67 0.00 0.00 178.83 178.03 1y75 h THR 12 N -1.00 0.57 -2.24 0.00 1.35 -0.43 -3.27 112.91 107.89 1y75 h THR 12 Ca -0.06 -1.50 -0.58 0.00 -0.55 0.00 0.00 66.41 63.72 1y75 h THR 12 Cb 0.55 2.05 -0.40 0.00 -1.73 0.00 0.00 68.15 68.63 1y75 h THR 12 CO 0.10 0.28 -0.93 0.52 -0.25 0.00 0.00 175.52 175.24 1y75 n VAL 13 N -3.27 -0.09 0.25 6.82 0.31 0.99 -4.76 118.33 118.57 1y75 n VAL 13 Ca 0.01 -4.14 0.09 0.00 -0.01 0.00 0.00 64.34 60.29 1y75 n VAL 13 Cb 0.56 -1.92 0.63 0.00 -0.91 0.00 0.00 33.84 32.20 1y75 n VAL 13 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1y75 h PRO 14 N 4.61 0.00 -0.18 5.55 0.11 -1.70 -2.81 132.00 137.58 1y75 h PRO 14 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1y75 h PRO 14 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1y75 h PRO 14 CO 0.53 0.15 0.00 -1.13 -0.21 0.00 0.00 178.00 177.34 1y75 n SER 15 N -3.93 0.18 -3.81 -2.05 3.41 -1.26 -4.77 113.62 101.39 1y75 n SER 15 Ca -0.02 -1.49 -0.12 0.00 -0.26 0.00 0.00 58.87 56.97 1y75 n SER 15 Cb 0.24 -0.09 -0.10 0.00 -0.26 0.00 0.00 64.21 64.01 1y75 n SER 15 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1y75 s ARG 17 N -1.76 0.54 0.24 4.33 0.52 -1.06 -5.14 118.95 116.63 1y75 s ARG 17 Ca 0.00 -0.19 -0.30 0.00 -0.52 0.00 0.00 55.73 54.72 1y75 s ARG 17 Cb 0.00 0.24 -0.09 0.00 0.52 0.00 0.00 34.95 35.62 1y75 s ARG 17 CO 0.00 -0.13 0.94 0.45 0.02 0.00 0.00 175.30 176.58 1y75 s SER 18 N -1.13 7.63 0.24 0.23 0.15 -1.26 -4.84 113.70 114.72 1y75 s SER 18 Ca -0.12 1.94 0.16 0.00 0.70 0.00 0.00 55.95 58.63 1y75 s SER 18 Cb -0.06 -2.61 0.86 0.00 -1.71 0.00 0.00 66.02 62.51 1y75 s SER 18 CO 0.03 0.15 1.48 -2.67 1.20 0.00 0.00 173.24 173.42 1y75 n TRP 19 N 1.44 0.54 0.24 3.44 4.27 -1.26 -0.11 117.44 126.00 1y75 n TRP 19 Ca -0.02 0.28 0.12 0.00 -3.89 0.00 0.00 57.50 53.99 1y75 n TRP 19 Cb 0.47 -0.94 0.55 0.00 -1.36 0.00 0.00 31.31 30.03 1y75 n TRP 19 CO 0.00 0.00 0.00 -1.49 -2.29 0.00 0.00 177.69 173.91 1y75 h TRP 20 N 0.00 0.00 0.00 -2.67 4.06 -2.00 -2.27 115.95 113.07 1y75 h TRP 20 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1y75 h TRP 20 Cb 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.19 1y75 h TRP 20 CO 0.00 0.17 0.00 -0.25 -3.56 0.00 0.00 178.44 174.80 1y75 n ASP 21 N -3.39 0.21 -0.07 -3.49 9.92 0.85 -1.41 116.55 119.18 1y75 n ASP 21 Ca -0.00 0.59 0.01 0.00 -0.53 0.00 0.00 54.79 54.85 1y75 n ASP 21 Cb 0.38 -0.62 0.02 0.00 -0.64 0.00 0.00 41.12 40.25 1y75 n ASP 21 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1y75 n PHE 22 N -1.77 0.04 1.04 1.24 3.72 -0.86 -4.55 117.46 116.32 1y75 n PHE 22 Ca 0.00 -0.37 0.13 0.00 -0.05 0.00 0.00 57.45 57.16 1y75 n PHE 22 Cb 0.05 -0.04 0.34 0.00 -0.94 0.00 0.00 39.48 38.90 1y75 n PHE 22 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1y75 n ALA 23 N -0.26 3.27 -2.73 4.37 0.00 -0.50 -4.29 120.51 120.37 1y75 n ALA 23 Ca 0.01 -0.31 -0.09 0.00 0.00 0.00 0.00 53.44 53.06 1y75 n ALA 23 Cb 0.21 -1.19 0.10 0.00 0.00 0.00 0.00 19.45 18.57 1y75 n ALA 23 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1y75 n ASP 24 N -1.41 -2.13 -4.37 0.00 2.03 -1.14 -4.39 116.55 105.14 1y75 n ASP 24 Ca 0.07 -3.32 -0.32 0.00 0.52 0.00 0.00 54.79 51.73 1y75 n ASP 24 Cb 0.33 1.60 -0.15 0.00 -0.72 0.00 0.00 41.12 42.19 1y75 n ASP 24 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1y75 s TYR 25 N 0.17 2.67 0.00 -0.67 6.14 -1.10 0.12 117.35 124.69 1y75 s TYR 25 Ca 0.22 -0.54 0.00 0.00 0.64 0.00 0.00 57.07 57.39 1y75 s TYR 25 Cb 0.33 -1.71 0.00 0.00 0.42 0.00 0.00 41.96 40.99 1y75 s TYR 25 CO -0.06 -0.11 0.00 0.41 0.64 0.00 0.00 175.55 176.43 1y75 n GLY 26 N 3.02 0.96 0.05 8.97 0.00 0.25 -2.08 105.19 116.37 1y75 n GLY 26 Ca -0.18 -0.71 0.11 0.00 0.00 0.00 0.00 46.02 45.25 1y75 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y75 n TYR 28 N -2.15 0.00 -2.41 0.00 4.01 -1.25 -3.24 117.16 112.12 1y75 n TYR 28 Ca 0.01 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.37 1y75 n TYR 28 Cb 0.47 -0.20 -0.03 0.00 -0.31 0.00 0.00 39.34 39.27 1y75 n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1y75 n GLY 30 N 6.40 0.16 2.52 0.00 0.00 -1.26 -2.69 105.19 110.33 1y75 n GLY 30 Ca 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.22 1y75 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y75 n GLY 33 N 1.62 3.67 3.65 0.00 0.00 -1.20 -5.01 105.19 107.92 1y75 n GLY 33 Ca -0.41 -0.41 -0.07 0.00 0.00 0.00 0.00 46.02 45.13 1y75 n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y75 s SER 34 N 1.13 -0.33 0.00 1.61 1.04 -1.25 -4.97 113.70 110.93 1y75 s SER 34 Ca 0.00 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1y75 s SER 34 Cb 0.00 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1y75 s SER 34 CO 0.00 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.86 1y75 n GLY 35 N -0.40 0.42 3.59 7.32 0.00 -1.25 -4.68 105.19 110.20 1y75 n GLY 35 Ca -0.09 -2.24 -0.43 0.00 0.00 0.00 0.00 46.02 43.27 1y75 n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y75 s THR 36 N -0.36 4.58 0.09 2.61 2.01 -1.26 -4.99 115.64 118.32 1y75 s THR 36 Ca 0.00 1.01 -0.36 0.00 0.31 0.00 0.00 61.69 62.64 1y75 s THR 36 Cb 0.00 -4.34 -0.17 0.00 0.01 0.00 0.00 72.50 68.00 1y75 s THR 36 CO 0.00 -0.60 1.27 -2.65 -0.69 0.00 0.00 174.62 171.95 1y75 n PRO 37 N 6.81 0.99 0.22 4.92 -0.02 -1.26 -4.84 135.00 141.82 1y75 n PRO 37 Ca 0.06 0.36 0.10 0.00 -2.02 0.00 0.00 63.50 62.00 1y75 n PRO 37 Cb 0.48 -1.95 0.39 0.00 -0.02 0.00 0.00 33.50 32.40 1y75 n PRO 37 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1y75 h VAL 38 N 3.15 0.44 -2.06 -1.45 2.07 -1.94 -3.48 116.25 112.98 1y75 h VAL 38 Ca -0.47 -1.18 0.33 0.00 0.82 0.00 0.00 66.70 66.20 1y75 h VAL 38 Cb 1.35 1.86 -0.06 0.00 -1.52 0.00 0.00 31.29 32.92 1y75 h VAL 38 CO 0.75 0.20 0.86 -0.90 0.02 0.00 0.00 177.57 178.49 1y75 n ASP 39 N -3.28 -1.09 -0.14 0.57 5.68 -1.26 -5.00 116.55 112.03 1y75 n ASP 39 Ca 0.01 -1.20 -0.03 0.00 -0.50 0.00 0.00 54.79 53.06 1y75 n ASP 39 Cb 0.47 1.69 0.05 0.00 -1.14 0.00 0.00 41.12 42.19 1y75 n ASP 39 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1y75 h ASP 40 N 1.85 -0.19 -0.92 -1.12 3.32 -1.93 -1.08 116.42 116.35 1y75 h ASP 40 Ca -0.19 0.11 0.02 0.00 0.02 0.00 0.00 57.03 56.98 1y75 h ASP 40 Cb 1.09 0.19 -0.05 0.00 0.22 0.00 0.00 39.33 40.78 1y75 h ASP 40 CO 0.29 -0.06 0.60 0.25 -1.72 0.00 0.00 179.24 178.60 1y75 h LEU 41 N 0.12 1.03 -0.62 1.55 5.85 -1.88 -1.31 115.31 120.05 1y75 h LEU 41 Ca 0.23 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.86 1y75 h LEU 41 Cb 0.34 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1y75 h LEU 41 CO -0.38 0.73 0.11 -0.78 -0.34 0.00 0.00 178.44 177.79 1y75 h ASP 42 N 1.21 0.97 -0.23 1.25 3.58 -1.73 -2.03 116.42 119.45 1y75 h ASP 42 Ca 0.35 -0.25 -0.03 0.00 0.42 0.00 0.00 57.03 57.51 1y75 h ASP 42 Cb -0.09 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.69 1y75 h ASP 42 CO -0.09 0.98 0.05 0.03 -2.88 0.00 0.00 179.24 177.33 1y75 h ARG 43 N 0.93 0.46 -0.32 0.28 3.08 -0.74 0.23 114.38 118.29 1y75 h ARG 43 Ca 0.19 -0.08 0.05 0.00 0.07 0.00 0.00 59.98 60.21 1y75 h ARG 43 Cb 0.41 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.34 1y75 h ARG 43 CO 0.01 0.45 0.05 0.00 -1.07 0.00 0.00 179.97 179.41 1y75 h GLN 46 N 0.13 0.50 -0.00 0.00 4.15 0.37 -1.21 115.11 119.05 1y75 h GLN 46 Ca 0.02 -0.08 -0.07 0.00 0.77 0.00 0.00 58.65 59.28 1y75 h GLN 46 Cb 0.67 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.26 1y75 h GLN 46 CO 0.05 0.48 -0.35 0.28 -1.93 0.00 0.00 178.83 177.36 1y75 h VAL 47 N 0.41 1.25 -0.19 2.39 2.07 -0.75 -2.77 116.25 118.66 1y75 h VAL 47 Ca 0.11 -1.20 -0.10 0.00 0.82 0.00 0.00 66.70 66.34 1y75 h VAL 47 Cb 0.16 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1y75 h VAL 47 CO -0.01 0.34 -0.25 -0.74 0.02 0.00 0.00 177.57 176.93 1y75 h HIS 48 N 0.01 0.62 -0.41 1.57 -0.00 -0.74 -1.30 115.15 114.91 1y75 h HIS 48 Ca -0.00 -0.20 -0.03 0.00 -0.00 0.00 0.00 60.37 60.14 1y75 h HIS 48 Cb 0.62 -0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 27.89 1y75 h HIS 48 CO 0.00 0.90 0.15 0.00 -0.00 0.00 0.00 177.93 178.98 1y75 h ASN 50 N 0.51 0.14 -0.49 0.00 -1.24 -1.52 -0.29 115.58 112.70 1y75 h ASN 50 Ca 0.13 -0.02 -0.08 0.00 0.71 0.00 0.00 56.30 57.04 1y75 h ASN 50 Cb 0.21 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.20 1y75 h ASN 50 CO -0.01 0.22 -0.02 0.00 -1.29 0.00 0.00 177.43 176.33 1y75 h TYR 52 N 0.73 0.68 -0.25 0.00 -1.99 -0.41 -2.58 116.97 113.14 1y75 h TYR 52 Ca 0.13 -0.15 -0.08 0.00 2.00 0.00 0.00 58.73 60.64 1y75 h TYR 52 Cb 0.54 -0.16 -0.01 0.00 2.00 0.00 0.00 36.73 39.09 1y75 h TYR 52 CO 0.04 0.79 -0.18 0.00 -0.00 0.00 0.00 178.16 178.81 1y75 h ARG 53 N 0.53 0.44 -0.08 4.88 3.08 -0.77 -1.50 114.38 120.96 1y75 h ARG 53 Ca 0.08 -0.14 -0.23 0.00 0.07 0.00 0.00 59.98 59.76 1y75 h ARG 53 Cb 0.70 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.71 1y75 h ARG 53 CO 0.05 0.61 -0.86 1.96 -1.07 0.00 0.00 179.97 180.67 1y75 h GLN 54 N 0.40 0.64 -0.09 0.04 1.08 -1.28 -3.08 115.11 112.83 1y75 h GLN 54 Ca 0.07 -0.58 -0.04 0.00 -1.45 0.00 0.00 58.65 56.65 1y75 h GLN 54 Cb 0.55 0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 28.11 1y75 h GLN 54 CO 0.04 1.20 -0.11 0.00 -0.95 0.00 0.00 178.83 179.01 1y75 h ALA 55 N 0.62 1.66 0.00 3.87 0.00 -1.15 -1.75 119.26 122.51 1y75 h ALA 55 Ca -0.07 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1y75 h ALA 55 Cb 1.48 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1y75 h ALA 55 CO 0.16 0.25 0.00 0.78 0.00 0.00 0.00 179.25 180.45 1y75 h GLY 56 N 0.56 0.00 1.59 0.00 0.00 -1.18 -2.03 103.07 102.01 1y75 h GLY 56 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1y75 h GLY 56 CO 0.02 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.74 1y75 n GLU 57 N -2.88 0.36 -3.10 4.80 1.02 -0.66 -4.58 120.64 115.60 1y75 n GLU 57 Ca -0.01 0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.75 1y75 n GLU 57 Cb 0.16 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.02 1y75 n GLU 57 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1y75 s ILE 58 N -2.59 4.88 -0.37 -3.67 1.01 -0.76 -4.98 121.20 114.71 1y75 s ILE 58 Ca 0.25 0.61 -0.43 0.00 0.00 0.00 0.00 60.65 61.08 1y75 s ILE 58 Cb 0.18 -4.08 -0.17 0.00 0.01 0.00 0.00 42.46 38.39 1y75 s ILE 58 CO 0.41 -0.32 1.69 -1.54 0.00 0.00 0.00 174.94 175.19 1y75 n SER 59 N 6.06 1.93 0.00 3.58 3.41 -1.26 -1.09 113.62 126.26 1y75 n SER 59 Ca -0.01 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.72 1y75 n SER 59 Cb 0.49 -1.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 1y75 n SER 59 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y75 n GLY 60 N 4.13 0.60 3.40 5.00 0.00 -1.26 -5.03 105.19 112.03 1y75 n GLY 60 Ca 0.28 -0.20 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 1y75 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y75 s ARG 62 N 1.79 3.10 0.29 0.00 0.52 -1.26 -4.33 118.95 119.06 1y75 s ARG 62 Ca 0.06 -2.50 0.03 0.00 -0.52 0.00 0.00 55.73 52.80 1y75 s ARG 62 Cb -0.23 -4.09 0.71 0.00 0.52 0.00 0.00 34.95 31.86 1y75 s ARG 62 CO 0.08 -1.23 1.70 -1.35 0.02 0.00 0.00 175.30 174.51 1y75 h PRO 63 N 7.41 0.39 0.00 3.54 0.11 -1.91 0.73 132.00 142.27 1y75 h PRO 63 Ca 0.05 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1y75 h PRO 63 Cb 1.00 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1y75 h PRO 63 CO 0.74 0.26 0.00 -0.22 -0.21 0.00 0.00 178.00 178.56 1y75 h LYS 64 N 0.40 0.00 0.00 1.05 1.63 -1.97 -3.33 116.57 114.35 1y75 h LYS 64 Ca 0.55 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.35 1y75 h LYS 64 Cb 1.04 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.66 1y75 h LYS 64 CO -0.52 0.00 -1.02 1.19 -3.45 0.00 0.00 179.45 175.64 1y75 n PHE 65 N -2.49 0.00 -1.64 1.91 3.01 0.11 -2.20 117.46 116.15 1y75 n PHE 65 Ca 0.00 0.00 -0.47 0.00 1.01 0.00 0.00 57.45 58.00 1y75 n PHE 65 Cb 0.17 -0.01 -0.04 0.00 -0.01 0.00 0.00 39.48 39.58 1y75 n PHE 65 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1y75 n LYS 66 N -1.59 2.16 -2.91 -1.08 3.00 0.21 -4.46 118.16 113.49 1y75 n LYS 66 Ca -0.00 0.75 -0.41 0.00 -0.00 0.00 0.00 58.31 58.65 1y75 n LYS 66 Cb 0.08 -2.79 -0.04 0.00 0.00 0.00 0.00 35.03 32.29 1y75 n LYS 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1y75 s THR 67 N 5.16 4.97 0.39 3.15 2.01 -1.26 0.35 115.64 130.41 1y75 s THR 67 Ca 0.95 1.68 0.05 0.00 0.31 0.00 0.00 61.69 64.68 1y75 s THR 67 Cb -0.61 -4.15 -0.06 0.00 0.01 0.00 0.00 72.50 67.69 1y75 s THR 67 CO 0.47 0.21 0.04 -0.72 -0.69 0.00 0.00 174.62 173.93 1y75 s TYR 68 N 0.94 2.14 -0.24 4.92 -0.85 -1.26 -4.89 117.35 118.11 1y75 s TYR 68 Ca 0.43 -0.88 -0.09 0.00 -0.52 0.00 0.00 57.07 56.01 1y75 s TYR 68 Cb -0.19 -1.49 -0.04 0.00 0.38 0.00 0.00 41.96 40.62 1y75 s TYR 68 CO 0.22 0.17 0.12 0.99 -1.52 0.00 0.00 175.55 175.52 1y75 s THR 69 N -3.03 4.86 0.17 -3.49 2.01 -1.26 -4.96 115.64 109.95 1y75 s THR 69 Ca 0.31 0.01 -0.12 0.00 0.31 0.00 0.00 61.69 62.20 1y75 s THR 69 Cb 0.08 -3.27 0.00 0.00 0.01 0.00 0.00 72.50 69.32 1y75 s THR 69 CO 0.15 0.34 0.36 -0.72 -0.69 0.00 0.00 174.62 174.06 1y75 s TYR 70 N 1.32 0.22 -0.04 4.92 1.13 -1.26 -1.34 117.35 122.30 1y75 s TYR 70 Ca 0.06 -0.58 0.01 0.00 -1.41 0.00 0.00 57.07 55.15 1y75 s TYR 70 Cb -0.15 0.09 0.02 0.00 -1.10 0.00 0.00 41.96 40.82 1y75 s TYR 70 CO 0.05 -0.78 -0.06 -2.00 -2.51 0.00 0.00 175.55 170.25 1y75 s GLU 71 N -3.93 0.90 -0.29 -3.49 2.12 0.29 -4.91 118.70 109.37 1y75 s GLU 71 Ca 0.14 -0.18 0.02 0.00 0.36 0.00 0.00 54.97 55.32 1y75 s GLU 71 Cb 0.02 -0.86 0.08 0.00 0.26 0.00 0.00 34.13 33.63 1y75 s GLU 71 CO -0.01 -0.02 0.00 0.00 -0.54 0.00 0.00 175.26 174.69 1y75 s SER 73 N 1.19 4.50 -0.58 0.00 0.01 0.26 -4.94 113.70 114.13 1y75 s SER 73 Ca 0.03 -2.11 -0.21 0.00 1.31 0.00 0.00 55.95 54.96 1y75 s SER 73 Cb -0.19 -1.41 0.03 0.00 0.21 0.00 0.00 66.02 64.66 1y75 s SER 73 CO -0.10 -0.37 0.64 0.61 0.41 0.00 0.00 173.24 174.43 1y75 n GLY 74 N 4.29 -0.59 3.67 3.44 0.00 -1.26 -1.60 105.19 113.13 1y75 n GLY 74 Ca 0.03 0.96 0.00 0.00 0.00 0.00 0.00 46.02 47.00 1y75 n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y75 n GLY 75 N -0.77 2.24 3.67 -0.02 0.00 -1.23 -4.95 105.19 104.12 1y75 n GLY 75 Ca -0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 1y75 n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y75 s THR 76 N -2.12 5.28 -0.06 2.61 2.01 -0.63 -4.86 115.64 117.87 1y75 s THR 76 Ca 0.00 0.43 0.05 0.00 0.31 0.00 0.00 61.69 62.48 1y75 s THR 76 Cb 0.00 -3.61 -0.00 0.00 0.01 0.00 0.00 72.50 68.90 1y75 s THR 76 CO 0.00 0.30 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.26 1y75 s LEU 77 N 1.17 1.98 -0.04 4.42 1.43 -1.26 0.93 118.68 127.30 1y75 s LEU 77 Ca 0.13 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 52.77 1y75 s LEU 77 Cb -0.14 -1.20 0.03 0.00 0.03 0.00 0.00 46.19 44.91 1y75 s LEU 77 CO 0.06 0.17 0.03 -0.89 0.23 0.00 0.00 176.35 175.95 1y75 s THR 78 N 0.12 0.08 -0.11 5.49 2.01 0.21 -4.98 115.64 118.46 1y75 s THR 78 Ca -0.09 0.25 -0.18 0.00 0.31 0.00 0.00 61.69 61.99 1y75 s THR 78 Cb -0.14 -0.26 -0.04 0.00 0.01 0.00 0.00 72.50 72.06 1y75 s THR 78 CO 0.05 0.18 0.46 0.00 -0.69 0.00 0.00 174.62 174.62 1y75 s LYS 80 N 0.52 4.45 0.44 0.00 1.02 -0.45 -4.97 119.74 120.75 1y75 s LYS 80 Ca 0.25 1.18 0.12 0.00 0.02 0.00 0.00 55.97 57.54 1y75 s LYS 80 Cb -0.15 -2.75 1.01 0.00 -0.52 0.00 0.00 37.83 35.42 1y75 s LYS 80 CO 0.10 0.27 2.02 0.78 -0.92 0.00 0.00 175.35 177.61 1y75 h GLY 81 N 3.09 0.50 0.05 -3.33 0.00 -1.97 -2.93 103.07 98.48 1y75 h GLY 81 Ca -0.47 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.70 1y75 h GLY 81 CO 0.65 0.13 0.00 2.09 0.00 0.00 0.00 176.54 179.40 1y75 n ASP 82 N -4.47 0.00 -4.81 0.19 5.75 -1.26 -4.65 116.55 107.30 1y75 n ASP 82 Ca 0.06 0.00 -0.38 0.00 -0.01 0.00 0.00 54.79 54.46 1y75 n ASP 82 Cb 0.25 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.28 1y75 n ASP 82 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1y75 s ASN 83 N -1.62 6.86 0.98 -1.12 0.01 -1.11 -4.99 114.94 113.95 1y75 s ASN 83 Ca 0.00 1.02 -0.16 0.00 -0.71 0.00 0.00 52.86 53.01 1y75 s ASN 83 Cb 0.00 -2.29 0.20 0.00 0.41 0.00 0.00 41.25 39.57 1y75 s ASN 83 CO 0.00 0.24 1.28 0.54 -1.51 0.00 0.00 177.10 177.66 1y75 s ASN 84 N -0.74 2.99 0.20 -1.22 2.20 -1.26 -4.58 114.94 112.53 1y75 s ASN 84 Ca 0.26 0.36 -0.13 0.00 -0.94 0.00 0.00 52.86 52.42 1y75 s ASN 84 Cb -0.17 -0.48 0.23 0.00 -2.00 0.00 0.00 41.25 38.83 1y75 s ASN 84 CO 0.14 -2.82 1.67 0.00 -2.94 0.00 0.00 177.10 173.16 1y75 h ALA 85 N -1.70 0.52 -0.02 3.54 0.00 -1.98 0.77 119.26 120.40 1y75 h ALA 85 Ca -0.45 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1y75 h ALA 85 Cb 1.25 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 1y75 h ALA 85 CO 0.40 -0.39 -0.00 0.00 0.00 0.00 0.00 179.25 179.26 1y75 h ALA 87 N 0.68 1.01 -0.40 0.00 0.00 -1.84 -1.25 119.26 117.45 1y75 h ALA 87 Ca 0.01 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 1y75 h ALA 87 Cb 0.34 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1y75 h ALA 87 CO 0.00 0.59 -0.14 0.00 0.00 0.00 0.00 179.25 179.70 1y75 h ALA 88 N 1.20 0.56 -0.17 0.00 0.00 0.59 -0.47 119.26 120.97 1y75 h ALA 88 Ca 0.09 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1y75 h ALA 88 Cb 0.65 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1y75 h ALA 88 CO 0.05 0.46 -0.06 0.77 0.00 0.00 0.00 179.25 180.46 1y75 h SER 89 N 0.61 0.35 0.02 0.00 0.02 -1.10 -2.29 113.55 111.16 1y75 h SER 89 Ca 0.10 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1y75 h SER 89 Cb 0.67 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1y75 h SER 89 CO 0.05 0.66 -0.03 -1.28 -1.14 0.00 0.00 176.83 175.09 1y75 h SER 90 N 0.03 -0.08 -0.90 3.07 0.87 -1.20 -1.96 113.55 113.37 1y75 h SER 90 Ca 0.04 0.01 0.08 0.00 -1.23 0.00 0.00 61.79 60.69 1y75 h SER 90 Cb 0.53 0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 62.45 1y75 h SER 90 CO 0.02 -0.05 0.56 0.00 -0.53 0.00 0.00 176.83 176.83 1y75 h ASP 92 N 0.97 0.00 0.75 0.00 3.32 -1.09 -0.84 116.42 119.52 1y75 h ASP 92 Ca 0.41 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.42 1y75 h ASP 92 Cb 0.26 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.82 1y75 h ASP 92 CO -0.20 0.36 -0.36 0.00 -1.72 0.00 0.00 179.24 177.32 1y75 h ASP 94 N -1.26 0.03 -0.06 0.00 3.32 -1.32 0.01 116.42 117.14 1y75 h ASP 94 Ca -0.10 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.03 1y75 h ASP 94 Cb 0.77 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.36 1y75 h ASP 94 CO 0.17 0.05 -0.10 -0.09 -1.72 0.00 0.00 179.24 177.55 1y75 h ARG 95 N 0.20 -0.14 -0.52 3.56 2.43 -1.22 0.40 114.38 119.09 1y75 h ARG 95 Ca 0.17 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 1y75 h ARG 95 Cb 0.18 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 1y75 h ARG 95 CO -0.21 -0.09 0.08 -0.07 -1.51 0.00 0.00 179.97 178.17 1y75 h LEU 96 N -0.14 0.77 -0.44 3.80 3.38 -1.03 0.50 115.31 122.15 1y75 h LEU 96 Ca 0.06 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 1y75 h LEU 96 Cb 0.22 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1y75 h LEU 96 CO -0.14 0.79 -0.18 0.00 0.09 0.00 0.00 178.44 179.00 1y75 h ALA 97 N 1.30 0.61 -0.73 1.53 0.00 -0.60 0.17 119.26 121.54 1y75 h ALA 97 Ca 0.16 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1y75 h ALA 97 Cb 0.36 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1y75 h ALA 97 CO 0.01 0.56 0.37 0.00 0.00 0.00 0.00 179.25 180.19 1y75 h ALA 98 N 0.84 0.95 -0.43 0.00 0.00 0.39 0.37 119.26 121.38 1y75 h ALA 98 Ca 0.10 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1y75 h ALA 98 Cb 0.74 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1y75 h ALA 98 CO 0.06 0.50 -0.11 0.82 0.00 0.00 0.00 179.25 180.51 1y75 h ILE 99 N 1.03 1.27 -0.23 0.00 2.04 -0.72 -2.79 117.51 118.11 1y75 h ILE 99 Ca 0.25 -1.22 0.03 0.00 1.00 0.00 0.00 64.86 64.92 1y75 h ILE 99 Cb 0.10 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1y75 h ILE 99 CO -0.03 0.41 0.06 0.00 0.00 0.00 0.00 178.15 178.59 1y75 h PHE 101 N 0.16 0.95 0.00 0.00 0.04 -0.86 -0.89 116.94 116.33 1y75 h PHE 101 Ca 0.11 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.90 1y75 h PHE 101 Cb 0.09 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 37.95 1y75 h PHE 101 CO -0.14 0.38 -0.02 0.00 -0.60 0.00 0.00 178.31 177.92 1y75 h ALA 102 N 1.49 1.16 -0.02 2.45 0.00 -1.04 -2.59 119.26 120.71 1y75 h ALA 102 Ca 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1y75 h ALA 102 Cb 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1y75 h ALA 102 CO -0.26 0.03 -0.01 0.41 0.00 0.00 0.00 179.25 179.41 1y75 n GLY 103 N -0.92 0.37 3.46 0.00 0.00 -0.37 -4.96 105.19 102.78 1y75 n GLY 103 Ca -0.02 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 1y75 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y75 s ALA 104 N -1.53 2.82 0.58 4.61 0.00 -0.98 -5.06 121.76 122.20 1y75 s ALA 104 Ca 0.21 -0.87 -0.20 0.00 0.00 0.00 0.00 51.96 51.10 1y75 s ALA 104 Cb 0.15 -1.32 -0.05 0.00 0.00 0.00 0.00 23.12 21.91 1y75 s ALA 104 CO 0.24 0.31 1.18 -2.30 0.00 0.00 0.00 175.76 175.18 1y75 n PRO 105 N 3.23 1.27 -3.75 0.00 -0.02 -1.26 -4.81 135.00 129.65 1y75 n PRO 105 Ca -0.18 0.48 -0.38 0.00 -2.02 0.00 0.00 63.50 61.40 1y75 n PRO 105 Cb 0.53 -2.38 -0.12 0.00 -0.02 0.00 0.00 33.50 31.51 1y75 n PRO 105 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1y75 s TYR 106 N -1.38 3.25 -0.47 6.00 6.14 -1.26 -4.51 117.35 125.11 1y75 s TYR 106 Ca 0.75 -1.37 -0.19 0.00 0.64 0.00 0.00 57.07 56.90 1y75 s TYR 106 Cb -0.42 -2.28 0.04 0.00 0.42 0.00 0.00 41.96 39.72 1y75 s TYR 106 CO 0.47 -0.71 0.55 1.21 0.64 0.00 0.00 175.55 177.71 1y75 s ASN 107 N 1.42 6.22 0.56 4.32 3.84 -1.26 -4.94 114.94 125.10 1y75 s ASN 107 Ca -0.01 -0.80 0.35 0.00 0.21 0.00 0.00 52.86 52.61 1y75 s ASN 107 Cb -0.19 -2.27 1.50 0.00 -0.55 0.00 0.00 41.25 39.74 1y75 s ASN 107 CO 0.03 -0.77 1.77 0.44 -2.79 0.00 0.00 177.10 175.79 1y75 h ASP 108 N 8.88 0.00 -0.74 -4.21 3.32 -1.98 0.48 116.42 122.18 1y75 h ASP 108 Ca -0.27 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.74 1y75 h ASP 108 Cb 1.10 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.62 1y75 h ASP 108 CO 0.90 0.00 0.31 0.78 -1.72 0.00 0.00 179.24 179.51 1y75 h ASN 109 N 0.00 1.01 0.00 6.45 -0.26 -2.04 -2.85 115.58 117.89 1y75 h ASN 109 Ca 0.52 -0.16 0.00 0.00 -0.56 0.00 0.00 56.30 56.10 1y75 h ASN 109 Cb 2.22 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 39.22 1y75 h ASN 109 CO -0.01 0.90 0.00 0.59 -1.06 0.00 0.00 177.43 177.85 1y75 n ASN 110 N -4.35 0.00 -4.84 5.81 3.02 0.17 -4.72 115.26 110.36 1y75 n ASN 110 Ca 0.06 -1.52 -0.37 0.00 -0.03 0.00 0.00 54.58 52.72 1y75 n ASN 110 Cb 0.17 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.28 1y75 n ASN 110 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1y75 s TYR 111 N -2.00 3.71 -1.47 3.10 5.04 -1.08 0.88 117.35 125.54 1y75 s TYR 111 Ca 0.07 1.05 -0.01 0.00 -2.44 0.00 0.00 57.07 55.73 1y75 s TYR 111 Cb 0.03 -2.33 0.01 0.00 0.35 0.00 0.00 41.96 40.02 1y75 s TYR 111 CO 0.05 0.59 0.32 -1.71 -1.34 0.00 0.00 175.55 173.46 1y75 n ASN 112 N 1.53 -0.12 -4.89 4.32 5.15 0.32 -4.91 115.26 116.67 1y75 n ASN 112 Ca -0.11 -1.09 -0.30 0.00 -0.60 0.00 0.00 54.58 52.49 1y75 n ASN 112 Cb 0.52 -2.62 0.04 0.00 -0.53 0.00 0.00 39.78 37.19 1y75 n ASN 112 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1y75 s ILE 113 N -4.04 3.74 -0.56 -1.44 -4.36 -1.26 -4.97 121.20 108.31 1y75 s ILE 113 Ca 0.05 0.49 -0.27 0.00 -0.26 0.00 0.00 60.65 60.65 1y75 s ILE 113 Cb -0.03 -3.55 -0.00 0.00 1.25 0.00 0.00 42.46 40.13 1y75 s ILE 113 CO 0.92 -0.70 1.63 -0.62 0.24 0.00 0.00 174.94 176.42 1y75 s ASP 114 N -4.32 5.76 0.15 4.36 3.68 -1.26 -4.86 116.67 120.18 1y75 s ASP 114 Ca 0.57 0.39 -0.10 0.00 2.13 0.00 0.00 52.55 55.54 1y75 s ASP 114 Cb -0.11 -2.54 -0.01 0.00 -1.45 0.00 0.00 42.92 38.82 1y75 s ASP 114 CO 0.51 -1.98 1.52 -0.07 0.13 0.00 0.00 175.17 175.27 1y75 h LEU 115 N 14.49 1.00 -0.61 -1.34 3.38 -1.93 0.28 115.31 130.58 1y75 h LEU 115 Ca -0.28 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 57.31 1y75 h LEU 115 Cb 1.13 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.55 1y75 h LEU 115 CO 1.18 1.22 0.35 0.50 0.09 0.00 0.00 178.44 181.78 1y75 h LYS 116 N 0.80 0.65 0.00 1.13 3.64 -1.96 -1.15 116.57 119.69 1y75 h LYS 116 Ca 0.08 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.34 1y75 h LYS 116 Cb 0.89 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 1y75 h LYS 116 CO 0.08 0.43 -0.96 0.00 -2.27 0.00 0.00 179.45 176.74 1y75 h ALA 117 N 1.29 0.65 0.00 5.00 0.00 -1.96 -3.32 119.26 120.92 1y75 h ALA 117 Ca 0.26 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1y75 h ALA 117 Cb 0.10 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1y75 h ALA 117 CO -0.14 0.48 -0.69 0.54 0.00 0.00 0.00 179.25 179.44 1y75 n ARG 118 N -2.91 2.33 0.00 0.00 1.74 0.08 -4.53 116.66 113.37 1y75 n ARG 118 Ca -0.03 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1y75 n ARG 118 Cb 0.70 -1.16 0.00 0.00 -1.02 0.00 0.00 32.46 30.97 1y75 n ARG 118 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11