#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nyu s ARG 27 N 0.00 2.99 0.15 -0.78 6.06 -1.26 -4.76 118.95 121.35 1nyu s ARG 27 Ca 0.00 -0.83 0.05 0.00 -2.50 0.00 0.00 55.73 52.45 1nyu s ARG 27 Cb 0.00 -2.56 -0.04 0.00 0.06 0.00 0.00 34.95 32.41 1nyu s ARG 27 CO 0.00 -0.19 -0.12 -1.21 -2.50 0.00 0.00 175.30 171.28 1nyu s GLU 28 N 1.24 1.09 0.04 5.12 2.02 -1.26 -1.74 118.70 125.21 1nyu s GLU 28 Ca 0.04 -1.42 -0.27 0.00 0.02 0.00 0.00 54.97 53.33 1nyu s GLU 28 Cb -0.13 -0.77 0.07 0.00 0.10 0.00 0.00 34.13 33.40 1nyu s GLU 28 CO -0.12 0.12 0.63 0.00 0.02 0.00 0.00 175.26 175.91 1nyu n ILE 30 N 0.37 0.18 -4.94 0.00 2.08 -1.26 0.16 119.36 115.94 1nyu n ILE 30 Ca -0.18 -0.03 -0.32 0.00 0.56 0.00 0.00 62.75 62.77 1nyu n ILE 30 Cb 0.60 -1.94 -0.14 0.00 -0.75 0.00 0.00 39.64 37.42 1nyu n ILE 30 CO 0.00 0.00 0.00 -0.47 0.56 0.00 0.00 176.55 176.64 1nyu s TYR 31 N 1.91 2.63 -0.14 1.39 5.04 0.38 -3.31 117.35 125.24 1nyu s TYR 31 Ca 0.80 -0.21 -0.12 0.00 -2.44 0.00 0.00 57.07 55.10 1nyu s TYR 31 Cb -0.55 -1.60 0.04 0.00 0.35 0.00 0.00 41.96 40.21 1nyu s TYR 31 CO 0.37 0.15 0.38 0.71 -1.34 0.00 0.00 175.55 175.82 1nyu s TYR 32 N -0.73 -0.44 -0.13 4.97 1.51 -1.05 -2.12 117.35 119.36 1nyu s TYR 32 Ca 0.11 1.04 -0.05 0.00 -1.01 0.00 0.00 57.07 57.17 1nyu s TYR 32 Cb -0.10 0.16 0.06 0.00 -0.11 0.00 0.00 41.96 41.97 1nyu s TYR 32 CO 0.01 -0.22 0.26 1.21 -1.11 0.00 0.00 175.55 175.70 1nyu s ASN 33 N 0.43 0.29 0.24 2.29 3.84 0.19 -1.55 114.94 120.67 1nyu s ASN 33 Ca -0.02 0.60 0.21 0.00 0.21 0.00 0.00 52.86 53.86 1nyu s ASN 33 Cb -0.04 0.69 0.06 0.00 -0.55 0.00 0.00 41.25 41.41 1nyu s ASN 33 CO -0.02 -0.23 1.16 0.00 -2.79 0.00 0.00 177.10 175.22 1nyu h ALA 34 N 8.20 0.64 -0.64 1.71 0.00 -1.77 -3.33 119.26 124.06 1nyu h ALA 34 Ca -0.16 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.45 1nyu h ALA 34 Cb 1.12 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.86 1nyu h ALA 34 CO 0.15 0.18 0.17 -1.71 0.00 0.00 0.00 179.25 178.04 1nyu n ASN 35 N -2.84 4.90 -3.46 0.00 5.15 -1.26 -5.01 115.26 112.74 1nyu n ASN 35 Ca -0.00 -3.16 -0.01 0.00 -0.60 0.00 0.00 54.58 50.80 1nyu n ASN 35 Cb 0.60 -0.71 -0.00 0.00 -0.53 0.00 0.00 39.78 39.14 1nyu n ASN 35 CO 0.00 0.00 0.00 -2.67 1.40 0.00 0.00 177.26 175.99 1nyu n TRP 36 N -0.04 0.00 0.81 1.20 4.27 -1.25 -4.46 117.44 117.97 1nyu n TRP 36 Ca 0.36 -0.11 0.00 0.00 -3.89 0.00 0.00 57.50 53.86 1nyu n TRP 36 Cb 1.29 -0.34 0.00 0.00 -1.36 0.00 0.00 31.31 30.90 1nyu n TRP 36 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 1nyu n LEU 38 N 3.26 0.49 -4.35 5.67 0.00 -1.26 -4.58 117.00 116.22 1nyu n LEU 38 Ca 0.01 -0.24 -0.19 0.00 0.00 0.00 0.00 56.01 55.59 1nyu n LEU 38 Cb 0.04 -0.24 -0.09 0.00 0.00 0.00 0.00 43.42 43.13 1nyu n LEU 38 CO 0.15 0.12 -0.20 -1.83 0.00 0.00 0.00 177.39 175.64 1nyu s GLU 39 N -1.25 1.62 0.65 1.96 -1.05 -1.26 -5.03 118.70 114.34 1nyu s GLU 39 Ca 0.00 -1.93 0.16 0.00 -0.15 0.00 0.00 54.97 53.05 1nyu s GLU 39 Cb 0.00 -0.14 0.81 0.00 -0.44 0.00 0.00 34.13 34.36 1nyu s GLU 39 CO 0.00 -0.45 1.44 0.07 0.95 0.00 0.00 175.26 177.27 1nyu h ARG 40 N 2.18 0.00 -6.18 -4.83 0.11 -1.99 -3.42 114.38 100.25 1nyu h ARG 40 Ca -0.34 0.00 -0.56 0.00 0.10 0.00 0.00 59.98 59.18 1nyu h ARG 40 Cb 1.25 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.29 1nyu h ARG 40 CO 0.52 0.00 0.42 -0.08 0.10 0.00 0.00 179.97 180.93 1nyu s THR 41 N -4.14 4.86 0.95 0.08 -1.32 -1.26 -5.04 115.64 109.77 1nyu s THR 41 Ca -0.02 1.86 -0.12 0.00 -1.21 0.00 0.00 61.69 62.21 1nyu s THR 41 Cb 0.06 -4.23 0.16 0.00 -1.51 0.00 0.00 72.50 66.97 1nyu s THR 41 CO 0.20 0.07 1.09 0.20 -2.21 0.00 0.00 174.62 173.97 1nyu s ASN 42 N 1.05 3.01 0.03 8.08 0.01 -1.26 -4.38 114.94 121.48 1nyu s ASN 42 Ca 0.45 1.45 -0.20 0.00 -0.71 0.00 0.00 52.86 53.85 1nyu s ASN 42 Cb -0.18 -2.13 -0.11 0.00 0.41 0.00 0.00 41.25 39.24 1nyu s ASN 42 CO 0.19 -2.93 1.27 -0.61 -1.51 0.00 0.00 177.10 173.51 1nyu h GLN 43 N -1.75 -0.69 0.00 -0.60 4.15 -1.95 -3.38 115.11 110.89 1nyu h GLN 43 Ca -0.51 0.05 -0.50 0.00 0.77 0.00 0.00 58.65 58.45 1nyu h GLN 43 Cb 1.30 0.16 -0.11 0.00 0.21 0.00 0.00 27.48 29.03 1nyu h GLN 43 CO 0.54 -0.46 -0.42 0.45 -1.93 0.00 0.00 178.83 177.02 1nyu n SER 44 N -3.97 1.21 0.00 -0.69 2.88 -1.26 0.53 113.62 112.32 1nyu n SER 44 Ca -0.09 -2.95 0.00 0.00 -1.33 0.00 0.00 58.87 54.50 1nyu n SER 44 Cb 0.28 0.92 0.00 0.00 -0.75 0.00 0.00 64.21 64.67 1nyu n SER 44 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1nyu n GLY 45 N -0.48 2.58 3.97 0.46 0.00 -0.90 -4.94 105.19 105.88 1nyu n GLY 45 Ca -0.05 -1.96 -0.27 0.00 0.00 0.00 0.00 46.02 43.74 1nyu n GLY 45 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1nyu s LEU 46 N 0.00 2.84 -0.22 0.99 -0.00 -1.26 0.14 118.68 121.18 1nyu s LEU 46 Ca 0.00 -0.16 -0.04 0.00 -0.00 0.00 0.00 54.13 53.93 1nyu s LEU 46 Cb 0.00 -1.93 0.08 0.00 -0.00 0.00 0.00 46.19 44.34 1nyu s LEU 46 CO 0.00 -2.45 0.12 -0.70 -0.00 0.00 0.00 176.35 173.32 1nyu s GLU 47 N -5.57 0.13 0.11 1.48 2.12 0.41 -4.52 118.70 112.85 1nyu s GLU 47 Ca 0.72 -0.23 -0.31 0.00 0.36 0.00 0.00 54.97 55.52 1nyu s GLU 47 Cb -0.03 -1.50 -0.10 0.00 0.26 0.00 0.00 34.13 32.76 1nyu s GLU 47 CO 0.50 -0.81 1.73 0.50 -0.54 0.00 0.00 175.26 176.64 1nyu s ARG 48 N 2.15 4.17 -0.46 4.30 3.52 -1.26 -2.48 118.95 128.89 1nyu s ARG 48 Ca 0.05 2.47 -0.16 0.00 -0.13 0.00 0.00 55.73 57.97 1nyu s ARG 48 Cb -0.16 -3.53 0.06 0.00 -1.56 0.00 0.00 34.95 29.76 1nyu s ARG 48 CO -0.20 -0.78 0.38 0.00 -0.81 0.00 0.00 175.30 173.89 1nyu s GLU 50 N 1.72 2.21 0.00 0.00 2.02 -1.26 -4.53 118.70 118.86 1nyu s GLU 50 Ca 0.05 -2.21 0.00 0.00 0.02 0.00 0.00 54.97 52.83 1nyu s GLU 50 Cb -0.22 -1.77 0.00 0.00 0.10 0.00 0.00 34.13 32.23 1nyu s GLU 50 CO 0.08 -0.42 0.00 0.41 0.02 0.00 0.00 175.26 175.35 1nyu n GLY 51 N -1.43 -0.21 3.78 -1.39 0.00 -1.26 -5.12 105.19 99.56 1nyu n GLY 51 Ca -0.11 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 1nyu n GLY 51 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1nyu s GLU 52 N 0.00 4.59 0.00 1.61 4.04 -1.26 -5.06 118.70 122.62 1nyu s GLU 52 Ca 0.00 1.34 0.00 0.00 0.04 0.00 0.00 54.97 56.35 1nyu s GLU 52 Cb 0.00 -2.82 0.00 0.00 0.02 0.00 0.00 34.13 31.33 1nyu s GLU 52 CO 0.00 0.28 0.00 1.04 -1.84 0.00 0.00 175.26 174.74 1nyu n GLN 53 N 0.60 0.00 -0.03 -4.83 6.02 -1.26 -3.32 117.38 114.56 1nyu n GLN 53 Ca 0.02 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.10 1nyu n GLN 53 Cb 0.50 -0.07 0.45 0.00 1.02 0.00 0.00 30.24 32.14 1nyu n GLN 53 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1nyu n ASP 54 N 0.00 0.59 -4.70 1.08 10.43 -1.26 -4.87 116.55 117.82 1nyu n ASP 54 Ca 0.00 -1.56 -0.42 0.00 2.57 0.00 0.00 54.79 55.38 1nyu n ASP 54 Cb 0.00 -0.04 -0.03 0.00 1.84 0.00 0.00 41.12 42.89 1nyu n ASP 54 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1nyu s LYS 55 N -1.92 4.51 0.46 -1.24 1.02 -1.21 -4.99 119.74 116.37 1nyu s LYS 55 Ca 0.28 1.45 -0.23 0.00 0.02 0.00 0.00 55.97 57.48 1nyu s LYS 55 Cb 0.14 -3.48 -0.09 0.00 -0.52 0.00 0.00 37.83 33.88 1nyu s LYS 55 CO 0.22 -0.15 1.09 2.89 -0.92 0.00 0.00 175.35 178.48 1nyu n ARG 56 N 4.24 1.44 -4.36 1.68 -4.01 -1.26 -4.78 116.66 109.62 1nyu n ARG 56 Ca 0.07 0.52 -0.26 0.00 -1.04 0.00 0.00 57.85 57.15 1nyu n ARG 56 Cb 0.50 -2.19 -0.12 0.00 -3.04 0.00 0.00 32.46 27.60 1nyu n ARG 56 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 1nyu s LEU 57 N -1.31 2.37 0.19 2.89 1.02 -1.26 -3.49 118.68 119.09 1nyu s LEU 57 Ca 0.65 -0.78 -0.06 0.00 0.02 0.00 0.00 54.13 53.96 1nyu s LEU 57 Cb -0.51 -1.03 -0.02 0.00 0.02 0.00 0.00 46.19 44.65 1nyu s LEU 57 CO 0.55 0.09 0.25 -1.00 0.02 0.00 0.00 176.35 176.25 1nyu s HIS 58 N -1.44 0.73 0.31 0.29 3.76 0.16 -4.61 115.29 114.50 1nyu s HIS 58 Ca 0.14 -1.04 0.03 0.00 -0.15 0.00 0.00 55.06 54.04 1nyu s HIS 58 Cb -0.09 -0.24 -0.06 0.00 1.11 0.00 0.00 32.58 33.31 1nyu s HIS 58 CO 0.07 -0.73 0.07 0.00 -0.85 0.00 0.00 174.74 173.29 1nyu s TYR 60 N -3.38 0.98 -0.19 0.00 -0.85 0.28 -1.22 117.35 112.96 1nyu s TYR 60 Ca 0.37 -1.25 -0.27 0.00 -0.52 0.00 0.00 57.07 55.39 1nyu s TYR 60 Cb 0.09 0.02 0.08 0.00 0.38 0.00 0.00 41.96 42.52 1nyu s TYR 60 CO 0.15 -1.20 0.78 0.00 -1.52 0.00 0.00 175.55 173.76 1nyu s ALA 61 N -2.93 -1.82 0.02 9.51 0.00 -1.21 -1.89 121.76 123.45 1nyu s ALA 61 Ca 0.29 1.74 0.01 0.00 0.00 0.00 0.00 51.96 54.00 1nyu s ALA 61 Cb -0.01 -0.79 -0.02 0.00 0.00 0.00 0.00 23.12 22.30 1nyu s ALA 61 CO 0.20 -0.33 -0.05 -1.54 0.00 0.00 0.00 175.76 174.04 1nyu s SER 62 N -0.28 0.52 0.00 0.00 1.04 0.67 -1.55 113.70 114.10 1nyu s SER 62 Ca -0.03 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.01 1nyu s SER 62 Cb -0.03 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.12 1nyu s SER 62 CO 0.03 -0.16 0.00 -2.67 0.98 0.00 0.00 173.24 171.42 1nyu n TRP 63 N 1.98 -0.55 0.00 5.02 2.14 -0.28 -0.81 117.44 124.93 1nyu n TRP 63 Ca -0.20 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.37 1nyu n TRP 63 Cb 0.56 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.06 1nyu n TRP 63 CO 0.00 0.00 0.00 -2.37 2.07 0.00 0.00 177.69 177.39 1nyu n THR 69 N 0.00 0.00 -3.36 -1.67 5.66 -1.26 -1.11 114.28 112.54 1nyu n THR 69 Ca 0.00 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.62 1nyu n THR 69 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 1nyu n THR 69 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1nyu s ILE 70 N 0.00 5.21 -0.27 1.09 1.01 -1.26 -5.06 121.20 121.92 1nyu s ILE 70 Ca 0.00 0.86 -0.02 0.00 0.00 0.00 0.00 60.65 61.49 1nyu s ILE 70 Cb 0.00 -3.78 0.03 0.00 0.01 0.00 0.00 42.46 38.73 1nyu s ILE 70 CO 0.00 0.33 -0.03 -1.61 0.00 0.00 0.00 174.94 173.63 1nyu s GLU 71 N 0.63 2.71 -0.52 2.79 0.41 -1.26 -5.06 118.70 118.40 1nyu s GLU 71 Ca 0.24 -1.07 -0.28 0.00 -0.41 0.00 0.00 54.97 53.44 1nyu s GLU 71 Cb -0.15 -3.07 0.02 0.00 -1.78 0.00 0.00 34.13 29.15 1nyu s GLU 71 CO 0.09 -0.48 1.35 -0.51 -0.49 0.00 0.00 175.26 175.22 1nyu s LEU 72 N 1.31 3.48 -0.03 1.80 1.43 -1.26 -4.04 118.68 121.36 1nyu s LEU 72 Ca -0.02 0.40 -0.16 0.00 -1.03 0.00 0.00 54.13 53.33 1nyu s LEU 72 Cb -0.18 -3.24 -0.09 0.00 0.03 0.00 0.00 46.19 42.71 1nyu s LEU 72 CO -0.03 -1.56 0.67 0.58 0.23 0.00 0.00 176.35 176.24 1nyu h VAL 73 N 6.35 0.00 -2.03 -1.59 2.07 -1.29 -3.41 116.25 116.36 1nyu h VAL 73 Ca -0.26 -0.56 -0.06 0.00 0.82 0.00 0.00 66.70 66.64 1nyu h VAL 73 Cb 1.09 0.00 -0.20 0.00 -1.52 0.00 0.00 31.29 30.66 1nyu h VAL 73 CO 1.15 0.00 0.16 -0.54 0.02 0.00 0.00 177.57 178.36 1nyu s LYS 74 N -3.42 0.99 0.12 1.57 1.02 -1.22 -3.13 119.74 115.66 1nyu s LYS 74 Ca -0.08 0.44 0.04 0.00 0.02 0.00 0.00 55.97 56.39 1nyu s LYS 74 Cb 0.01 0.47 -0.04 0.00 -0.52 0.00 0.00 37.83 37.75 1nyu s LYS 74 CO 0.25 -0.26 -0.11 0.15 -0.92 0.00 0.00 175.35 174.46 1nyu s LYS 75 N -0.77 0.94 0.00 1.68 1.02 -0.59 -0.24 119.74 121.78 1nyu s LYS 75 Ca -0.08 -1.25 0.00 0.00 0.02 0.00 0.00 55.97 54.65 1nyu s LYS 75 Cb -0.01 -0.64 0.00 0.00 -0.52 0.00 0.00 37.83 36.65 1nyu s LYS 75 CO 0.07 0.10 0.00 0.41 -0.92 0.00 0.00 175.35 175.02 1nyu n GLY 76 N 0.35 -1.82 3.79 -3.33 0.00 -0.79 -2.52 105.19 100.87 1nyu n GLY 76 Ca -0.14 -1.16 -0.34 0.00 0.00 0.00 0.00 46.02 44.38 1nyu n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nyu s TRP 78 N -2.08 0.55 0.84 0.00 -0.11 0.76 -4.68 118.94 114.22 1nyu s TRP 78 Ca 0.68 -0.10 -0.11 0.00 1.22 0.00 0.00 56.10 57.78 1nyu s TRP 78 Cb -0.19 -0.64 0.10 0.00 -1.50 0.00 0.00 33.47 31.25 1nyu s TRP 78 CO 0.28 -0.23 1.14 -0.51 -4.62 0.00 0.00 176.95 173.01 1nyu s LEU 79 N 1.46 2.99 0.09 5.86 1.43 -1.26 -0.66 118.68 128.59 1nyu s LEU 79 Ca -0.03 2.13 -0.22 0.00 -1.03 0.00 0.00 54.13 54.98 1nyu s LEU 79 Cb -0.13 -4.56 -0.12 0.00 0.03 0.00 0.00 46.19 41.41 1nyu s LEU 79 CO -0.03 -2.65 0.48 -0.67 0.23 0.00 0.00 176.35 173.71 1nyu n ASP 80 N -3.73 -0.57 -0.00 2.29 -0.08 -1.23 -4.69 116.55 108.54 1nyu n ASP 80 Ca 0.11 0.77 -0.00 0.00 -1.51 0.00 0.00 54.79 54.17 1nyu n ASP 80 Cb 0.52 -0.64 -0.00 0.00 2.34 0.00 0.00 41.12 43.34 1nyu n ASP 80 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1nyu n PHE 82 N 0.34 0.00 0.21 -0.67 7.35 -1.26 -5.09 117.46 118.34 1nyu n PHE 82 Ca 0.13 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.95 1nyu n PHE 82 Cb 0.13 -0.01 0.71 0.00 0.35 0.00 0.00 39.48 40.66 1nyu n PHE 82 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 1nyu h ASN 83 N 0.00 0.00 0.00 -2.13 4.21 -1.98 0.46 115.58 116.13 1nyu h ASN 83 Ca -0.01 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.50 1nyu h ASN 83 Cb 0.77 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.97 1nyu h ASN 83 CO 0.00 0.00 -1.37 0.00 -1.29 0.00 0.00 177.43 174.78 1nyu n TYR 85 N -1.79 1.36 0.00 0.00 4.02 0.16 -3.53 117.16 117.38 1nyu n TYR 85 Ca 0.00 -1.45 0.00 0.00 -0.01 0.00 0.00 57.90 56.44 1nyu n TYR 85 Cb 0.40 -1.44 0.00 0.00 -0.02 0.00 0.00 39.34 38.28 1nyu n TYR 85 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1nyu n GLU 89 N 7.27 0.00 -3.08 -0.72 1.02 -1.26 -4.78 120.64 119.09 1nyu n GLU 89 Ca 0.49 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 57.20 1nyu n GLU 89 Cb 0.41 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.77 1nyu n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nyu s VAL 91 N 2.94 1.61 -0.20 0.00 1.01 -1.26 -3.69 120.40 120.81 1nyu s VAL 91 Ca 0.22 -1.86 -0.07 0.00 0.00 0.00 0.00 61.98 60.26 1nyu s VAL 91 Cb -0.15 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 1nyu s VAL 91 CO 0.17 -0.38 0.06 0.00 0.00 0.00 0.00 175.10 174.95 1nyu s ALA 92 N -2.17 3.33 -0.23 5.51 0.00 -0.87 -4.22 121.76 123.10 1nyu s ALA 92 Ca 0.13 -0.84 -0.12 0.00 0.00 0.00 0.00 51.96 51.14 1nyu s ALA 92 Cb -0.05 -1.95 -0.10 0.00 0.00 0.00 0.00 23.12 21.02 1nyu s ALA 92 CO 0.05 0.02 -0.30 2.41 0.00 0.00 0.00 175.76 177.95 1nyu n THR 93 N 3.86 1.27 -1.78 0.00 -1.04 -1.26 -2.54 114.28 112.78 1nyu n THR 93 Ca -0.16 -0.32 -0.43 0.00 -2.04 0.00 0.00 64.05 61.10 1nyu n THR 93 Cb 0.52 -1.82 -0.03 0.00 -1.82 0.00 0.00 70.33 67.19 1nyu n THR 93 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1nyu s GLU 94 N -2.42 3.74 0.13 -2.82 8.01 -1.26 -4.06 118.70 120.02 1nyu s GLU 94 Ca -0.32 2.16 -0.31 0.00 0.01 0.00 0.00 54.97 56.51 1nyu s GLU 94 Cb 0.12 -4.19 -0.08 0.00 -4.31 0.00 0.00 34.13 25.68 1nyu s GLU 94 CO 0.41 -1.40 1.29 -1.83 0.01 0.00 0.00 175.26 173.74 1nyu s GLU 95 N 5.08 4.39 -0.54 1.61 1.03 -1.26 -4.04 118.70 124.97 1nyu s GLU 95 Ca 0.87 1.96 0.00 0.00 0.03 0.00 0.00 54.97 57.83 1nyu s GLU 95 Cb -0.35 -3.26 0.00 0.00 -0.80 0.00 0.00 34.13 29.73 1nyu s GLU 95 CO 0.36 -0.29 0.00 -1.71 -1.33 0.00 0.00 175.26 172.29 1nyu n ASN 96 N 3.39 -4.22 -4.32 0.83 2.85 -1.26 -5.02 115.26 107.51 1nyu n ASN 96 Ca 0.08 0.13 -0.29 0.00 -0.11 0.00 0.00 54.58 54.39 1nyu n ASN 96 Cb 0.44 -2.17 0.23 0.00 1.24 0.00 0.00 39.78 39.52 1nyu n ASN 96 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1nyu s PRO 97 N -1.93 -0.84 -0.13 1.20 0.04 -1.26 -4.96 135.00 127.11 1nyu s PRO 97 Ca 0.00 0.47 0.16 0.00 0.04 0.00 0.00 61.00 61.67 1nyu s PRO 97 Cb 0.00 -1.59 -0.22 0.00 0.04 0.00 0.00 34.50 32.72 1nyu s PRO 97 CO 0.00 -3.58 0.13 1.04 0.04 0.00 0.00 177.00 174.63 1nyu n GLN 98 N -4.76 1.11 -3.95 4.56 1.13 -1.26 -4.76 117.38 109.45 1nyu n GLN 98 Ca 0.06 -0.04 -0.31 0.00 -1.94 0.00 0.00 57.00 54.77 1nyu n GLN 98 Cb 0.57 -1.43 -0.15 0.00 0.11 0.00 0.00 30.24 29.34 1nyu n GLN 98 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1nyu s VAL 99 N -2.59 1.85 0.47 5.09 1.01 -1.26 -5.03 120.40 119.94 1nyu s VAL 99 Ca -0.08 -1.94 -0.23 0.00 0.00 0.00 0.00 61.98 59.74 1nyu s VAL 99 Cb 0.06 -2.31 -0.07 0.00 0.00 0.00 0.00 36.38 34.06 1nyu s VAL 99 CO 0.70 -0.51 1.20 -0.72 0.00 0.00 0.00 175.10 175.76 1nyu s TYR 100 N 1.14 2.79 -0.19 5.22 1.13 -0.26 -4.90 117.35 122.27 1nyu s TYR 100 Ca 0.07 1.51 -0.17 0.00 -1.41 0.00 0.00 57.07 57.07 1nyu s TYR 100 Cb -0.19 -3.45 0.05 0.00 -1.10 0.00 0.00 41.96 37.28 1nyu s TYR 100 CO -0.12 -1.72 0.51 0.12 -2.51 0.00 0.00 175.55 171.83 1nyu s PHE 101 N -1.50 -0.59 0.20 -3.49 5.36 -1.26 -1.13 117.98 115.57 1nyu s PHE 101 Ca 0.65 1.40 0.06 0.00 -0.96 0.00 0.00 56.93 58.08 1nyu s PHE 101 Cb -0.31 0.22 -0.05 0.00 -0.34 0.00 0.00 43.02 42.55 1nyu s PHE 101 CO 0.37 -0.29 -0.10 0.00 -1.46 0.00 0.00 175.22 173.73 1nyu s GLU 105 N -3.29 2.59 0.00 0.00 2.12 -1.23 0.35 118.70 119.24 1nyu s GLU 105 Ca 0.01 -0.79 0.00 0.00 0.36 0.00 0.00 54.97 54.55 1nyu s GLU 105 Cb 0.03 -2.56 0.00 0.00 0.26 0.00 0.00 34.13 31.86 1nyu s GLU 105 CO -0.08 0.56 0.00 0.41 -0.54 0.00 0.00 175.26 175.61 1nyu n GLY 106 N 0.80 2.18 3.65 -1.50 0.00 -1.26 -4.74 105.19 104.32 1nyu n GLY 106 Ca -0.12 -1.27 -0.55 0.00 0.00 0.00 0.00 46.02 44.08 1nyu n GLY 106 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nyu n ASN 107 N 0.00 2.01 -0.96 1.61 5.03 -1.26 -1.92 115.26 119.76 1nyu n ASN 107 Ca 0.00 1.10 -0.13 0.00 0.87 0.00 0.00 54.58 56.42 1nyu n ASN 107 Cb 0.00 -1.17 -0.05 0.00 -1.02 0.00 0.00 39.78 37.54 1nyu n ASN 107 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1nyu n PHE 108 N 3.89 0.00 0.11 3.10 3.01 -0.50 -4.90 117.46 122.16 1nyu n PHE 108 Ca 0.22 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.77 1nyu n PHE 108 Cb 0.16 -2.57 0.57 0.00 -0.01 0.00 0.00 39.48 37.63 1nyu n PHE 108 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1nyu n ASN 110 N -4.49 0.37 -0.26 0.00 6.94 -1.26 -3.60 115.26 112.94 1nyu n ASN 110 Ca 0.02 0.60 0.03 0.00 -0.02 0.00 0.00 54.58 55.21 1nyu n ASN 110 Cb 0.19 -0.67 0.17 0.00 -2.36 0.00 0.00 39.78 37.10 1nyu n ASN 110 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1nyu h GLU 111 N 0.00 0.59 -5.75 -3.83 4.22 -1.87 -3.40 114.58 104.54 1nyu h GLU 111 Ca 0.00 -0.04 -0.66 0.00 0.08 0.00 0.00 59.36 58.74 1nyu h GLU 111 Cb 0.27 -0.13 -0.14 0.00 0.50 0.00 0.00 28.75 29.25 1nyu h GLU 111 CO 0.00 0.39 -0.58 1.03 -2.18 0.00 0.00 179.01 177.67 1nyu s ARG 112 N -6.03 3.29 0.04 1.92 1.81 -1.24 -5.11 118.95 113.64 1nyu s ARG 112 Ca -0.12 -0.34 -0.02 0.00 -1.72 0.00 0.00 55.73 53.53 1nyu s ARG 112 Cb 0.19 -2.96 -0.03 0.00 -0.45 0.00 0.00 34.95 31.70 1nyu s ARG 112 CO 0.77 0.62 0.00 -0.59 -0.68 0.00 0.00 175.30 175.42 1nyu s PHE 113 N -0.64 0.39 0.35 -0.53 -0.12 -1.26 -4.43 117.98 111.74 1nyu s PHE 113 Ca 0.11 -0.83 -0.15 0.00 -0.05 0.00 0.00 56.93 56.00 1nyu s PHE 113 Cb -0.12 -0.29 0.04 0.00 -0.63 0.00 0.00 43.02 42.02 1nyu s PHE 113 CO 0.02 -0.34 0.73 0.99 -0.05 0.00 0.00 175.22 176.57 1nyu s THR 114 N -3.16 0.00 -0.01 -4.49 2.01 -1.24 -5.07 115.64 103.68 1nyu s THR 114 Ca -0.00 -1.08 0.03 0.00 0.31 0.00 0.00 61.69 60.95 1nyu s THR 114 Cb 0.02 -2.64 -0.03 0.00 0.01 0.00 0.00 72.50 69.86 1nyu s THR 114 CO -0.07 0.00 -0.08 -2.28 -0.69 0.00 0.00 174.62 171.50 1nyu s HIS 115 N -2.79 2.87 0.34 4.92 2.46 -1.26 -2.06 115.29 119.77 1nyu s HIS 115 Ca 0.16 -0.05 0.05 0.00 0.47 0.00 0.00 55.06 55.69 1nyu s HIS 115 Cb -0.05 -1.62 -0.02 0.00 -0.13 0.00 0.00 32.58 30.77 1nyu s HIS 115 CO 0.11 0.35 0.35 -0.11 -2.47 0.00 0.00 174.74 172.98 1nyu n LEU 116 N 1.68 0.00 -4.36 8.88 -0.00 -1.05 -4.93 117.00 117.21 1nyu n LEU 116 Ca -0.16 -3.08 -0.21 0.00 -0.00 0.00 0.00 56.01 52.56 1nyu n LEU 116 Cb 0.53 1.97 -0.11 0.00 -0.00 0.00 0.00 43.42 45.81 1nyu n LEU 116 CO 0.30 -0.57 -0.47 -2.16 -0.00 0.00 0.00 177.39 174.49 1nyu s PRO 117 N -3.18 1.37 0.00 1.96 0.05 -1.26 -4.70 135.00 129.23 1nyu s PRO 117 Ca 0.37 -1.55 0.00 0.00 0.05 0.00 0.00 61.00 59.87 1nyu s PRO 117 Cb 0.01 -1.33 0.00 0.00 0.05 0.00 0.00 34.50 33.23 1nyu s PRO 117 CO 0.26 0.25 0.00 0.39 0.05 0.00 0.00 177.00 177.95