#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ris s ARG 2 N 0.00 0.65 -0.15 2.12 0.52 -0.24 -4.91 118.95 116.93 1ris s ARG 2 Ca 0.00 -0.93 -0.14 0.00 -0.52 0.00 0.00 55.73 54.14 1ris s ARG 2 Cb 0.00 -0.36 -0.05 0.00 0.52 0.00 0.00 34.95 35.07 1ris s ARG 2 CO 0.00 0.05 0.29 0.50 0.02 0.00 0.00 175.30 176.17 1ris s ARG 3 N -2.15 4.21 0.15 3.54 3.52 -1.26 -1.44 118.95 125.52 1ris s ARG 3 Ca -0.03 0.10 0.04 0.00 -0.13 0.00 0.00 55.73 55.71 1ris s ARG 3 Cb -0.06 -3.41 -0.04 0.00 -1.56 0.00 0.00 34.95 29.87 1ris s ARG 3 CO -0.00 0.28 -0.10 0.71 -0.81 0.00 0.00 175.30 175.37 1ris s TYR 4 N 0.35 1.26 -0.16 5.12 2.02 -0.50 -1.17 117.35 124.28 1ris s TYR 4 Ca 0.17 -0.76 -0.01 0.00 -0.37 0.00 0.00 57.07 56.10 1ris s TYR 4 Cb -0.13 -0.64 -0.01 0.00 -0.40 0.00 0.00 41.96 40.78 1ris s TYR 4 CO 0.04 0.08 -0.12 -1.21 -1.57 0.00 0.00 175.55 172.77 1ris s GLU 5 N -3.75 3.30 -0.22 -0.62 2.02 0.15 -1.30 118.70 118.28 1ris s GLU 5 Ca 0.17 -0.70 -0.06 0.00 0.02 0.00 0.00 54.97 54.39 1ris s GLU 5 Cb 0.03 -2.70 -0.02 0.00 0.10 0.00 0.00 34.13 31.53 1ris s GLU 5 CO 0.00 0.03 0.02 0.08 0.02 0.00 0.00 175.26 175.42 1ris s VAL 6 N 0.80 4.04 -0.28 2.63 1.01 0.06 -1.28 120.40 127.39 1ris s VAL 6 Ca -0.04 -0.27 -0.05 0.00 0.00 0.00 0.00 61.98 61.61 1ris s VAL 6 Cb -0.15 -2.85 0.02 0.00 0.00 0.00 0.00 36.38 33.39 1ris s VAL 6 CO 0.01 0.40 0.03 0.20 0.00 0.00 0.00 175.10 175.73 1ris s ASN 7 N 1.25 4.86 -0.12 3.32 0.01 0.17 -0.81 114.94 123.62 1ris s ASN 7 Ca 0.04 -0.79 0.01 0.00 -0.71 0.00 0.00 52.86 51.40 1ris s ASN 7 Cb -0.15 -1.80 -0.01 0.00 0.41 0.00 0.00 41.25 39.70 1ris s ASN 7 CO 0.02 -0.18 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.65 1ris s ILE 8 N 1.43 2.85 -0.19 0.60 -1.09 -0.34 -0.72 121.20 123.75 1ris s ILE 8 Ca 0.01 -0.74 -0.03 0.00 -2.23 0.00 0.00 60.65 57.67 1ris s ILE 8 Cb -0.17 -2.17 -0.01 0.00 -1.58 0.00 0.00 42.46 38.52 1ris s ILE 8 CO 0.00 0.54 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.50 1ris s VAL 9 N 0.28 3.43 0.22 2.92 1.01 0.24 -1.09 120.40 127.41 1ris s VAL 9 Ca -0.11 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 61.45 1ris s VAL 9 Cb -0.16 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1ris s VAL 9 CO 0.06 0.46 0.09 -0.76 0.00 0.00 0.00 175.10 174.95 1ris s LEU 10 N 0.98 3.54 -0.33 3.92 1.43 0.36 0.20 118.68 128.78 1ris s LEU 10 Ca -0.00 -0.36 -0.44 0.00 -1.03 0.00 0.00 54.13 52.30 1ris s LEU 10 Cb -0.15 -2.12 -0.19 0.00 0.03 0.00 0.00 46.19 43.77 1ris s LEU 10 CO 0.00 0.02 1.50 -3.20 0.23 0.00 0.00 176.35 174.90 1ris n ASN 11 N -0.70 1.15 0.06 2.29 2.85 -0.41 -0.70 115.26 119.80 1ris n ASN 11 Ca -0.08 1.16 0.10 0.00 -0.11 0.00 0.00 54.58 55.65 1ris n ASN 11 Cb 0.57 -0.94 0.40 0.00 1.24 0.00 0.00 39.78 41.05 1ris n ASN 11 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1ris n PRO 12 N 3.61 0.09 -0.97 1.20 -0.04 -1.26 -3.80 135.00 133.82 1ris n PRO 12 Ca 0.27 0.30 -0.10 0.00 -0.04 0.00 0.00 63.50 63.94 1ris n PRO 12 Cb 0.01 -1.66 0.22 0.00 -0.04 0.00 0.00 33.50 32.03 1ris n PRO 12 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ris n ASN 13 N -1.83 3.61 -4.84 3.54 3.02 -1.26 -4.92 115.26 112.58 1ris n ASN 13 Ca 0.03 -3.52 -0.36 0.00 -0.03 0.00 0.00 54.58 50.71 1ris n ASN 13 Cb 0.21 -0.72 -0.06 0.00 -0.61 0.00 0.00 39.78 38.60 1ris n ASN 13 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ris s LEU 14 N -3.17 4.35 0.80 3.41 1.43 -1.25 -5.08 118.68 119.17 1ris s LEU 14 Ca 0.51 1.09 -0.11 0.00 -1.03 0.00 0.00 54.13 54.58 1ris s LEU 14 Cb 0.43 -3.23 0.08 0.00 0.03 0.00 0.00 46.19 43.50 1ris s LEU 14 CO 0.08 0.12 1.16 1.51 0.23 0.00 0.00 176.35 179.45 1ris s ASP 15 N -1.66 4.57 0.44 2.29 1.47 -1.26 -4.82 116.67 117.70 1ris s ASP 15 Ca 0.37 0.77 0.13 0.00 1.18 0.00 0.00 52.55 55.00 1ris s ASP 15 Cb -0.15 -1.29 1.03 0.00 -0.34 0.00 0.00 42.92 42.17 1ris s ASP 15 CO 0.19 -1.85 2.03 -0.61 0.68 0.00 0.00 175.17 175.60 1ris h GLN 16 N -1.00 0.36 0.00 2.11 4.15 -1.98 -0.21 115.11 118.54 1ris h GLN 16 Ca -0.46 -0.02 -0.11 0.00 0.77 0.00 0.00 58.65 58.83 1ris h GLN 16 Cb 1.33 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.92 1ris h GLN 16 CO 0.65 0.24 -0.57 0.66 -1.93 0.00 0.00 178.83 177.88 1ris h SER 17 N 0.37 0.00 -0.38 -0.69 4.64 -1.99 -1.68 113.55 113.82 1ris h SER 17 Ca 0.20 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.37 1ris h SER 17 Cb 0.32 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1ris h SER 17 CO -0.05 0.52 -0.37 1.56 -0.87 0.00 0.00 176.83 177.63 1ris h GLN 18 N 0.00 0.93 -0.11 4.77 4.20 -1.47 -2.11 115.11 121.32 1ris h GLN 18 Ca -0.01 -0.48 -0.01 0.00 0.06 0.00 0.00 58.65 58.21 1ris h GLN 18 Cb 1.41 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.20 1ris h GLN 18 CO 0.07 1.14 0.04 1.25 -0.67 0.00 0.00 178.83 180.65 1ris h LEU 19 N 0.74 0.16 -1.14 1.46 7.12 -1.09 -1.85 115.31 120.71 1ris h LEU 19 Ca 0.06 -0.20 -0.02 0.00 0.13 0.00 0.00 57.88 57.85 1ris h LEU 19 Cb 0.96 -0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 41.02 1ris h LEU 19 CO 0.09 0.31 0.30 0.00 -0.13 0.00 0.00 178.44 179.02 1ris h ALA 20 N 0.85 1.33 -0.29 1.25 0.00 -1.26 -1.86 119.26 119.28 1ris h ALA 20 Ca 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1ris h ALA 20 Cb 0.21 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1ris h ALA 20 CO -0.00 0.52 0.12 1.25 0.00 0.00 0.00 179.25 181.14 1ris h LEU 21 N 0.90 0.39 -1.02 0.00 5.85 -1.20 -1.23 115.31 119.01 1ris h LEU 21 Ca 0.22 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1ris h LEU 21 Cb 0.10 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1ris h LEU 21 CO -0.03 0.43 0.47 -0.33 -0.34 0.00 0.00 178.44 178.64 1ris h GLU 22 N 0.32 1.16 -0.61 1.25 4.39 -0.99 -2.01 114.58 118.08 1ris h GLU 22 Ca 0.10 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 1ris h GLU 22 Cb 0.15 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 1ris h GLU 22 CO -0.01 0.83 0.25 0.87 -1.16 0.00 0.00 179.01 179.80 1ris h LYS 23 N 1.17 0.91 -0.72 2.33 1.57 -1.17 -1.39 116.57 119.27 1ris h LYS 23 Ca 0.30 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 1ris h LYS 23 Cb 0.00 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 1ris h LYS 23 CO -0.05 0.77 0.23 0.93 -0.57 0.00 0.00 179.45 180.76 1ris h GLU 24 N 0.85 1.10 -0.39 3.15 5.08 -0.81 -1.11 114.58 122.45 1ris h GLU 24 Ca 0.21 -0.22 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 1ris h GLU 24 Cb 0.19 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1ris h GLU 24 CO -0.02 0.93 -0.15 0.82 -1.00 0.00 0.00 179.01 179.59 1ris h ILE 25 N 1.06 1.26 -0.20 3.13 2.04 -1.02 -1.98 117.51 121.80 1ris h ILE 25 Ca 0.23 -1.19 -0.05 0.00 1.00 0.00 0.00 64.86 64.85 1ris h ILE 25 Cb 0.28 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1ris h ILE 25 CO -0.01 0.40 -0.08 0.40 0.00 0.00 0.00 178.15 178.86 1ris h ILE 26 N 0.64 1.30 -0.76 -0.67 2.04 -0.95 -0.65 117.51 118.47 1ris h ILE 26 Ca 0.10 -1.12 -0.00 0.00 1.00 0.00 0.00 64.86 64.84 1ris h ILE 26 Cb 0.61 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 38.29 1ris h ILE 26 CO 0.04 0.34 0.46 1.56 0.00 0.00 0.00 178.15 180.55 1ris h GLN 27 N 0.10 1.03 -0.28 2.37 4.20 -0.93 0.03 115.11 121.62 1ris h GLN 27 Ca 0.05 -0.09 -0.11 0.00 0.06 0.00 0.00 58.65 58.55 1ris h GLN 27 Cb 0.56 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1ris h GLN 27 CO 0.03 0.73 -0.30 -0.09 -0.67 0.00 0.00 178.83 178.52 1ris h ARG 28 N 1.03 0.59 -0.37 1.46 2.43 -1.30 -0.73 114.38 117.49 1ris h ARG 28 Ca 0.27 -0.25 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 1ris h ARG 28 Cb -0.04 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1ris h ARG 28 CO -0.05 0.82 -0.10 0.00 -1.51 0.00 0.00 179.97 179.13 1ris h ALA 29 N 1.17 1.13 0.33 2.80 0.00 -0.55 -0.51 119.26 123.63 1ris h ALA 29 Ca 0.06 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1ris h ALA 29 Cb 0.78 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1ris h ALA 29 CO 0.06 0.55 -0.16 -0.07 0.00 0.00 0.00 179.25 179.63 1ris h LEU 30 N 0.59 -0.37 -1.02 0.00 3.38 -0.36 -2.21 115.31 115.32 1ris h LEU 30 Ca 0.11 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1ris h LEU 30 Cb 0.53 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1ris h LEU 30 CO 0.03 -0.18 0.51 -0.33 0.09 0.00 0.00 178.44 178.56 1ris h GLU 31 N -0.55 1.19 0.00 1.13 5.08 -1.06 -1.46 114.58 118.91 1ris h GLU 31 Ca -0.05 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1ris h GLU 31 Cb 0.41 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1ris h GLU 31 CO 0.07 0.84 0.00 -0.91 -1.00 0.00 0.00 179.01 178.02 1ris h ASN 32 N 1.20 0.00 -0.56 1.42 4.21 -0.94 -2.54 115.58 118.37 1ris h ASN 32 Ca 0.31 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.82 1ris h ASN 32 Cb -0.03 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.17 1ris h ASN 32 CO -0.06 0.00 0.00 -1.22 -1.29 0.00 0.00 177.43 174.86 1ris n TYR 33 N -2.39 1.43 -0.52 1.19 4.02 -0.76 -4.95 117.16 115.18 1ris n TYR 33 Ca 0.02 -0.66 0.00 0.00 -0.01 0.00 0.00 57.90 57.25 1ris n TYR 33 Cb 0.26 -0.28 0.00 0.00 -0.02 0.00 0.00 39.34 39.30 1ris n TYR 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ris n GLY 34 N 0.76 0.73 3.74 2.72 0.00 -0.96 -4.67 105.19 107.53 1ris n GLY 34 Ca 0.24 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1ris n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ris s ALA 35 N -2.00 3.37 -0.41 4.61 0.00 -0.62 -4.45 121.76 122.25 1ris s ALA 35 Ca 0.00 0.26 -0.20 0.00 0.00 0.00 0.00 51.96 52.03 1ris s ALA 35 Cb 0.00 -2.99 0.02 0.00 0.00 0.00 0.00 23.12 20.15 1ris s ALA 35 CO 0.00 0.05 0.58 1.03 0.00 0.00 0.00 175.76 177.42 1ris s ARG 36 N 0.03 3.32 -0.31 0.00 0.52 0.02 -4.30 118.95 118.23 1ris s ARG 36 Ca 0.38 -0.39 -0.27 0.00 -0.52 0.00 0.00 55.73 54.93 1ris s ARG 36 Cb -0.20 -3.92 0.01 0.00 0.52 0.00 0.00 34.95 31.36 1ris s ARG 36 CO 0.22 -0.90 0.96 0.08 0.02 0.00 0.00 175.30 175.69 1ris s VAL 37 N 2.60 4.63 -0.03 3.52 1.01 -1.26 -1.62 120.40 129.24 1ris s VAL 37 Ca 0.20 1.52 0.21 0.00 0.00 0.00 0.00 61.98 63.91 1ris s VAL 37 Cb -0.15 -4.31 -0.33 0.00 0.00 0.00 0.00 36.38 31.59 1ris s VAL 37 CO 0.17 -0.38 0.46 -0.62 0.00 0.00 0.00 175.10 174.73 1ris n GLU 38 N 6.59 0.64 -3.63 2.72 1.02 0.53 -4.99 120.64 123.51 1ris n GLU 38 Ca 0.09 -0.19 -0.13 0.00 -0.02 0.00 0.00 57.16 56.91 1ris n GLU 38 Cb 0.47 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.32 1ris n GLU 38 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1ris s LYS 39 N -3.47 0.76 -0.03 3.49 2.36 -1.02 -4.95 119.74 116.88 1ris s LYS 39 Ca -0.08 0.90 0.02 0.00 -2.55 0.00 0.00 55.97 54.27 1ris s LYS 39 Cb 0.14 0.37 0.01 0.00 -1.05 0.00 0.00 37.83 37.29 1ris s LYS 39 CO 0.88 -0.09 -0.09 0.08 1.55 0.00 0.00 175.35 177.68 1ris s VAL 40 N 0.34 0.81 -0.02 4.02 1.01 -1.26 -0.64 120.40 124.66 1ris s VAL 40 Ca 0.01 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.66 1ris s VAL 40 Cb -0.05 -0.74 -0.00 0.00 0.00 0.00 0.00 36.38 35.59 1ris s VAL 40 CO -0.01 0.26 -0.11 -1.61 0.00 0.00 0.00 175.10 173.63 1ris s GLU 41 N 0.33 1.02 -0.47 2.72 0.41 0.69 -4.98 118.70 118.40 1ris s GLU 41 Ca -0.05 -0.38 -0.14 0.00 -0.41 0.00 0.00 54.97 53.98 1ris s GLU 41 Cb -0.10 -0.95 0.08 0.00 -1.78 0.00 0.00 34.13 31.38 1ris s GLU 41 CO 0.01 0.18 0.39 -2.00 -0.49 0.00 0.00 175.26 173.35 1ris s GLU 42 N -0.02 2.91 0.04 1.61 2.12 -1.26 -1.00 118.70 123.10 1ris s GLU 42 Ca 0.00 -1.42 0.16 0.00 0.36 0.00 0.00 54.97 54.07 1ris s GLU 42 Cb -0.07 -4.10 -0.15 0.00 0.26 0.00 0.00 34.13 30.07 1ris s GLU 42 CO 0.00 -1.06 0.79 1.28 -0.54 0.00 0.00 175.26 175.73 1ris n LEU 43 N 5.16 0.86 0.00 2.70 4.32 0.30 -5.01 117.00 125.33 1ris n LEU 43 Ca -0.12 0.38 0.00 0.00 -0.02 0.00 0.00 56.01 56.25 1ris n LEU 43 Cb 0.43 0.09 0.00 0.00 -1.62 0.00 0.00 43.42 42.32 1ris n LEU 43 CO 0.47 0.19 0.00 0.61 -1.22 0.00 0.00 177.39 177.44 1ris n GLY 44 N 1.43 -1.77 3.77 -0.72 0.00 -1.09 -4.85 105.19 101.96 1ris n GLY 44 Ca -0.11 -1.95 -0.38 0.00 0.00 0.00 0.00 46.02 43.58 1ris n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ris s LEU 45 N 0.00 4.44 0.05 0.99 1.43 -1.26 -0.53 118.68 123.80 1ris s LEU 45 Ca 0.00 1.84 -0.11 0.00 -1.03 0.00 0.00 54.13 54.82 1ris s LEU 45 Cb 0.00 -3.85 0.01 0.00 0.03 0.00 0.00 46.19 42.38 1ris s LEU 45 CO 0.00 0.01 0.24 -0.13 0.23 0.00 0.00 176.35 176.71 1ris s ARG 46 N -1.77 0.76 -0.09 1.70 0.52 -0.80 -4.96 118.95 114.31 1ris s ARG 46 Ca 0.47 -0.60 -0.23 0.00 -0.52 0.00 0.00 55.73 54.84 1ris s ARG 46 Cb -0.21 0.32 -0.03 0.00 0.52 0.00 0.00 34.95 35.55 1ris s ARG 46 CO 0.26 -0.23 0.71 0.50 0.02 0.00 0.00 175.30 176.56 1ris s ARG 47 N -2.66 4.39 0.64 3.54 3.52 -1.26 -1.69 118.95 125.44 1ris s ARG 47 Ca -0.04 0.87 -0.16 0.00 -0.13 0.00 0.00 55.73 56.26 1ris s ARG 47 Cb -0.01 -3.48 -0.01 0.00 -1.56 0.00 0.00 34.95 29.90 1ris s ARG 47 CO -0.04 -0.02 1.13 -0.51 -0.81 0.00 0.00 175.30 175.05 1ris s LEU 48 N 1.10 3.47 0.44 -0.88 1.43 -0.29 -4.94 118.68 119.01 1ris s LEU 48 Ca 0.37 2.10 0.13 0.00 -1.03 0.00 0.00 54.13 55.70 1ris s LEU 48 Cb -0.17 -4.56 0.98 0.00 0.03 0.00 0.00 46.19 42.46 1ris s LEU 48 CO 0.16 -1.62 1.99 0.00 0.23 0.00 0.00 176.35 177.12 1ris h ALA 49 N 0.29 1.68 -2.47 4.21 0.00 -1.96 -3.43 119.26 117.58 1ris h ALA 49 Ca -0.48 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.16 1ris h ALA 49 Cb 1.26 -0.04 -0.20 0.00 0.00 0.00 0.00 17.79 18.80 1ris h ALA 49 CO 0.54 0.24 -0.21 1.52 0.00 0.00 0.00 179.25 181.34 1ris s TYR 50 N -4.71 -0.28 0.50 0.00 -0.85 -1.26 -5.16 117.35 105.60 1ris s TYR 50 Ca -0.04 0.47 -0.22 0.00 -0.52 0.00 0.00 57.07 56.76 1ris s TYR 50 Cb 0.16 0.15 -0.06 0.00 0.38 0.00 0.00 41.96 42.58 1ris s TYR 50 CO 0.70 -0.40 1.22 -1.25 -1.52 0.00 0.00 175.55 174.30 1ris s PRO 51 N -1.14 3.49 -0.06 -3.49 0.04 -1.26 -4.93 135.00 127.64 1ris s PRO 51 Ca -0.12 1.90 0.02 0.00 0.04 0.00 0.00 61.00 62.85 1ris s PRO 51 Cb -0.04 -2.30 0.01 0.00 0.04 0.00 0.00 34.50 32.21 1ris s PRO 51 CO 0.05 -0.81 -0.13 0.42 0.04 0.00 0.00 177.00 176.57 1ris s ILE 52 N -1.49 1.14 -1.47 0.56 1.01 -0.60 -4.70 121.20 115.64 1ris s ILE 52 Ca 0.68 -0.49 -0.11 0.00 0.00 0.00 0.00 60.65 60.72 1ris s ILE 52 Cb -0.32 -1.04 0.06 0.00 0.01 0.00 0.00 42.46 41.17 1ris s ILE 52 CO 0.38 0.35 0.94 0.00 0.00 0.00 0.00 174.94 176.62 1ris n ALA 53 N 3.71 -1.23 -2.12 9.38 0.00 -1.26 -0.78 120.51 128.22 1ris n ALA 53 Ca -0.22 0.25 -0.15 0.00 0.00 0.00 0.00 53.44 53.33 1ris n ALA 53 Cb 0.52 -4.54 -0.02 0.00 0.00 0.00 0.00 19.45 15.40 1ris n ALA 53 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ris n LYS 54 N -4.60 -1.85 -3.99 0.00 0.00 -1.26 -4.98 118.16 101.48 1ris n LYS 54 Ca 0.01 0.75 -0.35 0.00 0.00 0.00 0.00 58.31 58.73 1ris n LYS 54 Cb 0.55 -5.26 -0.14 0.00 0.00 0.00 0.00 35.03 30.17 1ris n LYS 54 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1ris s ASP 55 N -2.10 4.16 0.00 3.14 -1.08 0.04 -4.99 116.67 115.84 1ris s ASP 55 Ca 0.00 -0.41 0.22 0.00 -0.52 0.00 0.00 52.55 51.83 1ris s ASP 55 Cb 0.00 -1.70 0.81 0.00 -1.46 0.00 0.00 42.92 40.56 1ris s ASP 55 CO 0.00 -0.00 1.58 -0.81 0.52 0.00 0.00 175.17 176.46 1ris n PRO 56 N 4.69 1.70 -4.20 4.34 -0.04 -1.26 -1.56 135.00 138.67 1ris n PRO 56 Ca -0.18 -1.05 -0.12 0.00 -0.04 0.00 0.00 63.50 62.10 1ris n PRO 56 Cb 0.51 -1.41 -0.10 0.00 -0.04 0.00 0.00 33.50 32.46 1ris n PRO 56 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1ris s GLN 57 N -1.83 0.91 0.15 0.54 -0.21 -1.26 -1.14 119.66 116.83 1ris s GLN 57 Ca 0.33 -1.34 -0.13 0.00 0.02 0.00 0.00 55.36 54.24 1ris s GLN 57 Cb 0.18 -0.39 0.01 0.00 1.00 0.00 0.00 33.01 33.81 1ris s GLN 57 CO 0.27 0.03 0.37 0.20 -2.12 0.00 0.00 175.29 174.04 1ris s GLY 58 N -2.98 0.06 -0.26 3.09 0.00 -0.68 -4.43 107.32 102.12 1ris s GLY 58 Ca 0.12 -0.44 -0.10 0.00 0.00 0.00 0.00 44.72 44.30 1ris s GLY 58 CO -0.02 -0.53 0.16 -0.47 0.00 0.00 0.00 173.10 172.24 1ris s TYR 59 N -3.88 3.22 -0.12 1.90 5.04 0.12 -1.90 117.35 121.73 1ris s TYR 59 Ca 0.09 0.05 -0.10 0.00 -2.44 0.00 0.00 57.07 54.67 1ris s TYR 59 Cb 0.02 -2.32 -0.05 0.00 0.35 0.00 0.00 41.96 39.97 1ris s TYR 59 CO -0.05 -0.13 0.22 -0.06 -1.34 0.00 0.00 175.55 174.19 1ris s PHE 60 N 1.51 3.56 -0.03 4.97 0.40 0.31 -0.49 117.98 128.23 1ris s PHE 60 Ca 0.07 0.60 0.05 0.00 -0.60 0.00 0.00 56.93 57.05 1ris s PHE 60 Cb -0.15 -2.13 -0.01 0.00 0.51 0.00 0.00 43.02 41.24 1ris s PHE 60 CO 0.08 0.54 -0.17 -0.51 0.70 0.00 0.00 175.22 175.86 1ris s LEU 61 N -0.49 1.96 0.03 -0.37 1.43 -0.25 -0.54 118.68 120.46 1ris s LEU 61 Ca 0.16 -0.33 0.06 0.00 -1.03 0.00 0.00 54.13 52.99 1ris s LEU 61 Cb -0.13 -0.93 -0.02 0.00 0.03 0.00 0.00 46.19 45.14 1ris s LEU 61 CO 0.05 0.18 -0.19 0.86 0.23 0.00 0.00 176.35 177.48 1ris s TRP 62 N -0.16 1.65 -0.01 0.29 -0.00 -0.17 -1.20 118.94 119.35 1ris s TRP 62 Ca 0.01 -0.35 0.02 0.00 -0.00 0.00 0.00 56.10 55.78 1ris s TRP 62 Cb -0.09 -1.00 -0.00 0.00 -0.00 0.00 0.00 33.47 32.37 1ris s TRP 62 CO 0.01 0.05 -0.07 0.71 -0.00 0.00 0.00 176.95 177.65 1ris s TYR 63 N -0.71 0.64 -0.24 5.86 1.51 0.01 -0.23 117.35 124.19 1ris s TYR 63 Ca 0.06 -0.12 -0.07 0.00 -1.01 0.00 0.00 57.07 55.93 1ris s TYR 63 Cb -0.08 -0.42 -0.02 0.00 -0.11 0.00 0.00 41.96 41.33 1ris s TYR 63 CO 0.01 -0.02 0.05 -1.14 -1.11 0.00 0.00 175.55 173.34 1ris s GLN 64 N -0.11 3.61 0.26 -0.62 0.74 0.18 -0.76 119.66 122.96 1ris s GLN 64 Ca 0.02 -0.50 0.06 0.00 0.05 0.00 0.00 55.36 54.99 1ris s GLN 64 Cb -0.03 -3.25 -0.05 0.00 1.10 0.00 0.00 33.01 30.77 1ris s GLN 64 CO -0.00 -0.17 -0.06 0.14 -0.55 0.00 0.00 175.29 174.65 1ris s VAL 65 N 1.52 1.55 -0.14 1.34 -7.23 -0.42 -0.35 120.40 116.67 1ris s VAL 65 Ca 0.06 -2.12 0.00 0.00 -1.81 0.00 0.00 61.98 58.11 1ris s VAL 65 Cb -0.15 -2.36 0.02 0.00 0.56 0.00 0.00 36.38 34.45 1ris s VAL 65 CO 0.02 -0.35 -0.12 -0.70 -0.31 0.00 0.00 175.10 173.64 1ris s GLU 66 N -3.74 2.07 0.19 4.82 2.12 -0.64 -1.40 118.70 122.12 1ris s GLU 66 Ca 0.28 -0.50 -0.12 0.00 0.36 0.00 0.00 54.97 55.00 1ris s GLU 66 Cb 0.03 -2.00 0.00 0.00 0.26 0.00 0.00 34.13 32.43 1ris s GLU 66 CO 0.10 -0.26 0.37 0.00 -0.54 0.00 0.00 175.26 174.94 1ris s MET 67 N 1.54 1.29 0.08 4.30 0.23 -0.52 -0.80 119.30 125.41 1ris s MET 67 Ca 0.05 -1.13 -0.31 0.00 -1.03 0.00 0.00 55.69 53.27 1ris s MET 67 Cb -0.13 0.43 -0.08 0.00 -1.53 0.00 0.00 34.83 33.52 1ris s MET 67 CO -0.10 -0.50 1.53 -2.14 -2.03 0.00 0.00 175.02 171.78 1ris s PRO 68 N -3.96 4.24 0.54 3.16 0.02 -1.26 -1.08 135.00 136.67 1ris s PRO 68 Ca 0.17 2.21 0.22 0.00 0.02 0.00 0.00 61.00 63.62 1ris s PRO 68 Cb 0.02 -3.44 1.44 0.00 0.02 0.00 0.00 34.50 32.54 1ris s PRO 68 CO 0.01 -0.62 2.12 1.05 -0.33 0.00 0.00 177.00 179.23 1ris h GLU 69 N 7.64 0.00 0.00 5.54 4.11 -1.91 -1.05 114.58 128.91 1ris h GLU 69 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.02 1ris h GLU 69 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1ris h GLU 69 CO 0.91 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.59 1ris n ASP 70 N -4.27 0.00 -0.00 3.06 5.75 -1.26 -2.68 116.55 117.14 1ris n ASP 70 Ca 0.01 0.43 0.08 0.00 -0.01 0.00 0.00 54.79 55.31 1ris n ASP 70 Cb 0.26 -0.47 -0.11 0.00 -1.03 0.00 0.00 41.12 39.77 1ris n ASP 70 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ris n ARG 71 N -1.47 1.04 0.01 0.11 5.12 -0.40 -4.70 116.66 116.38 1ris n ARG 71 Ca 0.05 -0.05 -0.11 0.00 -1.93 0.00 0.00 57.85 55.80 1ris n ARG 71 Cb 0.18 -1.35 -0.06 0.00 -1.16 0.00 0.00 32.46 30.07 1ris n ARG 71 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1ris h VAL 72 N 0.00 1.02 -0.10 1.55 2.07 -1.55 -0.37 116.25 118.88 1ris h VAL 72 Ca 0.00 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 1ris h VAL 72 Cb 0.53 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1ris h VAL 72 CO 0.00 0.02 -0.11 -1.13 0.02 0.00 0.00 177.57 176.37 1ris h ASN 73 N 0.07 0.13 0.56 0.57 -0.73 -1.84 -0.60 115.58 113.74 1ris h ASN 73 Ca 0.02 -0.02 -0.19 0.00 1.87 0.00 0.00 56.30 57.98 1ris h ASN 73 Cb 0.00 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 38.55 1ris h ASN 73 CO -0.00 0.27 -0.83 0.44 -0.37 0.00 0.00 177.43 176.94 1ris h ASP 74 N 0.14 0.24 -0.33 1.15 3.32 -1.58 -2.04 116.42 117.31 1ris h ASP 74 Ca 0.03 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 56.85 1ris h ASP 74 Cb 0.29 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1ris h ASP 74 CO 0.02 0.96 0.04 0.25 -1.72 0.00 0.00 179.24 178.79 1ris h LEU 75 N 0.11 0.54 -0.84 1.55 5.85 -0.16 -1.97 115.31 120.39 1ris h LEU 75 Ca -0.04 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.43 1ris h LEU 75 Cb 1.43 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.27 1ris h LEU 75 CO 0.12 0.67 0.55 0.00 -0.34 0.00 0.00 178.44 179.45 1ris h ALA 76 N 0.89 1.08 -0.32 1.25 0.00 -0.96 -1.18 119.26 120.02 1ris h ALA 76 Ca 0.10 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1ris h ALA 76 Cb 0.37 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1ris h ALA 76 CO 0.01 0.44 0.12 0.00 0.00 0.00 0.00 179.25 179.82 1ris h ARG 77 N 1.11 0.26 -0.19 0.00 3.08 -1.27 -1.97 114.38 115.40 1ris h ARG 77 Ca 0.32 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.35 1ris h ARG 77 Cb -0.09 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1ris h ARG 77 CO -0.08 0.17 0.12 1.49 -1.07 0.00 0.00 179.97 180.60 1ris h GLU 78 N 0.27 0.25 0.00 0.04 4.57 -0.72 -2.66 114.58 116.32 1ris h GLU 78 Ca 0.14 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.28 1ris h GLU 78 Cb 0.10 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1ris h GLU 78 CO -0.13 0.17 -0.11 -0.07 -1.18 0.00 0.00 179.01 177.69 1ris h LEU 79 N 0.25 0.00 0.00 1.64 3.38 -1.07 -2.46 115.31 117.05 1ris h LEU 79 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ris h LEU 79 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1ris h LEU 79 CO -0.01 0.11 0.00 0.54 0.09 0.00 0.00 178.44 179.16 1ris n ARG 80 N -4.30 0.30 0.00 1.13 1.74 -0.76 -3.40 116.66 111.37 1ris n ARG 80 Ca -0.03 0.04 0.13 0.00 -0.77 0.00 0.00 57.85 57.22 1ris n ARG 80 Cb 0.18 -1.50 0.31 0.00 -1.02 0.00 0.00 32.46 30.43 1ris n ARG 80 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 1ris n ILE 81 N -1.33 0.00 -2.65 0.55 -5.35 -0.93 -4.77 119.36 104.88 1ris n ILE 81 Ca 0.11 -0.16 -0.42 0.00 -0.27 0.00 0.00 62.75 62.01 1ris n ILE 81 Cb 0.23 0.58 -0.03 0.00 -1.74 0.00 0.00 39.64 38.68 1ris n ILE 81 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1ris s ARG 82 N -2.47 4.56 0.44 6.28 1.81 -1.22 -4.93 118.95 123.43 1ris s ARG 82 Ca 0.24 1.51 0.11 0.00 -1.72 0.00 0.00 55.73 55.87 1ris s ARG 82 Cb 0.19 -3.41 1.00 0.00 -0.45 0.00 0.00 34.95 32.28 1ris s ARG 82 CO 0.52 -0.04 2.05 -0.44 -0.68 0.00 0.00 175.30 176.72 1ris h ASP 83 N 6.50 0.34 0.17 0.23 5.19 -1.92 -1.73 116.42 125.20 1ris h ASP 83 Ca -0.42 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.99 1ris h ASP 83 Cb 1.22 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.65 1ris h ASP 83 CO 0.75 0.23 -0.05 0.59 -3.12 0.00 0.00 179.24 177.65 1ris n ASN 84 N -4.48 0.52 -4.56 6.45 3.02 -1.26 -4.68 115.26 110.27 1ris n ASN 84 Ca 0.04 -0.90 -0.42 0.00 -0.03 0.00 0.00 54.58 53.27 1ris n ASN 84 Cb 0.17 -0.04 -0.06 0.00 -0.61 0.00 0.00 39.78 39.24 1ris n ASN 84 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ris s VAL 85 N -2.22 4.83 -0.01 2.41 1.01 -0.65 -1.28 120.40 124.49 1ris s VAL 85 Ca 0.37 0.53 0.10 0.00 0.00 0.00 0.00 61.98 62.98 1ris s VAL 85 Cb 0.21 -4.14 -0.23 0.00 0.00 0.00 0.00 36.38 32.22 1ris s VAL 85 CO 0.41 -0.42 0.80 0.03 0.00 0.00 0.00 175.10 175.93 1ris h ARG 86 N 8.59 0.02 -1.87 2.72 2.47 -0.53 -3.46 114.38 122.32 1ris h ARG 86 Ca -0.26 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.43 1ris h ARG 86 Cb 1.10 0.01 -0.23 0.00 -1.65 0.00 0.00 29.97 29.21 1ris h ARG 86 CO 0.87 0.66 0.22 0.50 0.56 0.00 0.00 179.97 182.77 1ris s ARG 87 N -2.62 0.71 -0.05 0.04 3.52 -1.04 -4.95 118.95 114.56 1ris s ARG 87 Ca -0.04 0.90 0.04 0.00 -0.13 0.00 0.00 55.73 56.50 1ris s ARG 87 Cb 0.08 0.31 -0.00 0.00 -1.56 0.00 0.00 34.95 33.79 1ris s ARG 87 CO 0.82 -0.09 -0.17 0.08 -0.81 0.00 0.00 175.30 175.13 1ris s VAL 88 N 0.55 1.42 -0.08 7.11 1.01 -1.26 -0.59 120.40 128.56 1ris s VAL 88 Ca -0.01 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 1ris s VAL 88 Cb -0.05 -1.23 0.04 0.00 0.00 0.00 0.00 36.38 35.15 1ris s VAL 88 CO -0.05 0.41 0.16 -0.32 0.00 0.00 0.00 175.10 175.30 1ris s MET 89 N 0.12 0.07 -0.17 2.72 0.00 0.11 -4.99 119.30 117.15 1ris s MET 89 Ca -0.06 0.47 -0.03 0.00 0.00 0.00 0.00 55.69 56.08 1ris s MET 89 Cb -0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 34.83 34.47 1ris s MET 89 CO 0.03 -0.23 -0.07 0.08 0.00 0.00 0.00 175.02 174.82 1ris s VAL 90 N 1.73 3.42 0.18 10.11 1.01 -1.26 -0.65 120.40 134.93 1ris s VAL 90 Ca -0.03 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.52 1ris s VAL 90 Cb -0.12 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 1ris s VAL 90 CO -0.06 0.48 -0.17 0.68 0.00 0.00 0.00 175.10 176.03 1ris s VAL 91 N 0.78 1.79 0.36 2.92 -7.23 -0.40 -4.96 120.40 113.65 1ris s VAL 91 Ca -0.03 -2.01 -0.28 0.00 -1.81 0.00 0.00 61.98 57.85 1ris s VAL 91 Cb -0.15 -1.90 -0.10 0.00 0.56 0.00 0.00 36.38 34.79 1ris s VAL 91 CO 0.02 -0.41 1.30 -0.75 -0.31 0.00 0.00 175.10 174.94 1ris s LYS 92 N -3.08 4.20 0.04 4.82 2.20 -1.26 -0.67 119.74 125.99 1ris s LYS 92 Ca 0.18 2.18 -0.30 0.00 -0.36 0.00 0.00 55.97 57.66 1ris s LYS 92 Cb -0.04 -2.94 -0.06 0.00 -1.51 0.00 0.00 37.83 33.28 1ris s LYS 92 CO 0.07 -0.30 1.25 0.45 -0.36 0.00 0.00 175.35 176.46 1ris s SER 93 N -0.61 7.01 -0.21 1.43 0.15 -0.32 -4.71 113.70 116.44 1ris s SER 93 Ca 0.52 2.04 0.10 0.00 0.70 0.00 0.00 55.95 59.31 1ris s SER 93 Cb -0.39 -2.57 -0.20 0.00 -1.71 0.00 0.00 66.02 61.15 1ris s SER 93 CO 0.51 -0.55 -0.07 0.00 1.20 0.00 0.00 173.24 174.33 1ris n GLN 94 N 4.36 0.77 -3.48 5.44 6.02 -1.26 -4.82 117.38 124.41 1ris n GLN 94 Ca 0.10 0.06 -0.27 0.00 -0.01 0.00 0.00 57.00 56.89 1ris n GLN 94 Cb 0.45 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 30.13 1ris n GLN 94 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1ris n GLU 95 N -2.94 0.71 -2.26 -1.09 1.02 -1.26 -5.12 120.64 109.70 1ris n GLU 95 Ca -0.37 -3.53 -0.35 0.00 -0.02 0.00 0.00 57.16 52.89 1ris n GLU 95 Cb 1.04 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 30.69 1ris n GLU 95 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1ris s PRO 96 N -0.54 3.40 0.00 3.49 0.04 -1.26 -5.23 135.00 134.90 1ris s PRO 96 Ca 0.32 1.63 0.27 0.00 0.04 0.00 0.00 61.00 63.26 1ris s PRO 96 Cb 0.04 -2.05 1.62 0.00 0.04 0.00 0.00 34.50 34.15 1ris s PRO 96 CO -0.17 -0.81 1.97 1.19 0.04 0.00 0.00 177.00 179.21