#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jri s ASP 9 N 0.00 -0.72 -0.12 6.43 2.15 -1.26 -5.08 116.67 118.07 3jri s ASP 9 Ca 0.00 1.22 0.20 0.00 0.43 0.00 0.00 52.55 54.39 3jri s ASP 9 Cb 0.00 1.12 -0.29 0.00 -0.30 0.00 0.00 42.92 43.45 3jri s ASP 9 CO 0.00 -0.21 0.26 1.33 -0.17 0.00 0.00 175.17 176.38 3jri n VAL 10 N 3.96 0.76 -3.62 1.11 0.24 -1.26 -4.77 118.33 114.75 3jri n VAL 10 Ca -0.20 -0.70 -0.40 0.00 -2.04 0.00 0.00 64.34 61.01 3jri n VAL 10 Cb 0.57 -0.25 -0.10 0.00 -1.47 0.00 0.00 33.84 32.59 3jri n VAL 10 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3jri s LEU 11 N -5.05 5.35 0.20 1.34 1.43 -1.26 -5.05 118.68 115.63 3jri s LEU 11 Ca -0.09 -1.73 -0.01 0.00 -1.03 0.00 0.00 54.13 51.27 3jri s LEU 11 Cb 0.10 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 3jri s LEU 11 CO 0.87 -0.59 0.13 0.42 0.23 0.00 0.00 176.35 177.41 3jri s THR 12 N 1.36 0.00 0.02 5.49 -4.23 -1.26 -1.31 115.64 115.70 3jri s THR 12 Ca 0.05 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 3jri s THR 12 Cb -0.24 -2.50 -0.02 0.00 1.34 0.00 0.00 72.50 71.09 3jri s THR 12 CO 0.00 0.00 -0.03 0.68 -0.54 0.00 0.00 174.62 174.73 3jri s VAL 13 N -4.16 0.12 0.23 2.29 -7.23 -0.01 -4.82 120.40 106.82 3jri s VAL 13 Ca 0.39 -0.75 -0.22 0.00 -1.81 0.00 0.00 61.98 59.59 3jri s VAL 13 Cb 0.07 -0.23 -0.09 0.00 0.56 0.00 0.00 36.38 36.69 3jri s VAL 13 CO 0.12 -0.40 0.78 -0.44 -0.31 0.00 0.00 175.10 174.85 3jri s SER 14 N -1.19 7.18 -0.04 4.85 0.01 -1.26 -1.64 113.70 121.61 3jri s SER 14 Ca -0.13 1.55 -0.01 0.00 1.31 0.00 0.00 55.95 58.67 3jri s SER 14 Cb -0.08 -2.47 0.03 0.00 0.21 0.00 0.00 66.02 63.71 3jri s SER 14 CO -0.01 0.05 0.04 0.42 0.41 0.00 0.00 173.24 174.15 3jri s THR 15 N -1.47 0.01 0.28 1.44 -4.23 0.13 -4.90 115.64 106.91 3jri s THR 15 Ca 0.43 0.30 -0.10 0.00 -1.18 0.00 0.00 61.69 61.13 3jri s THR 15 Cb -0.18 -0.21 -0.07 0.00 1.34 0.00 0.00 72.50 73.38 3jri s THR 15 CO 0.23 0.17 0.62 0.68 -0.54 0.00 0.00 174.62 175.78 3jri s VAL 16 N 1.77 4.87 0.53 2.29 -7.23 -1.26 -1.21 120.40 120.15 3jri s VAL 16 Ca 0.00 0.53 0.01 0.00 -1.81 0.00 0.00 61.98 60.71 3jri s VAL 16 Cb -0.12 -3.65 0.00 0.00 0.56 0.00 0.00 36.38 33.17 3jri s VAL 16 CO -0.03 -0.20 0.04 0.54 -0.31 0.00 0.00 175.10 175.14 3jri s ASN 17 N -2.58 4.22 0.13 4.85 2.20 -1.18 -4.93 114.94 117.64 3jri s ASN 17 Ca 0.49 -1.66 0.09 0.00 -0.94 0.00 0.00 52.86 50.84 3jri s ASN 17 Cb -0.11 0.66 0.50 0.00 -2.00 0.00 0.00 41.25 40.30 3jri s ASN 17 CO 0.23 -0.94 1.28 -1.54 -2.94 0.00 0.00 177.10 173.19 3jri n SER 18 N -1.36 0.24 -1.48 3.54 3.41 -1.26 -0.51 113.62 116.19 3jri n SER 18 Ca -0.20 0.61 0.08 0.00 -0.26 0.00 0.00 58.87 59.10 3jri n SER 18 Cb 0.67 -0.64 0.34 0.00 -0.26 0.00 0.00 64.21 64.32 3jri n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jri n GLN 19 N -1.82 3.98 -3.61 4.33 6.02 -1.26 -4.96 117.38 120.06 3jri n GLN 19 Ca -0.01 -2.96 -0.22 0.00 -0.01 0.00 0.00 57.00 53.81 3jri n GLN 19 Cb 0.02 -2.01 0.04 0.00 1.02 0.00 0.00 30.24 29.31 3jri n GLN 19 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3jri n ASP 20 N 0.43 -3.02 -4.05 1.08 10.43 0.33 -4.98 116.55 116.77 3jri n ASP 20 Ca 0.25 -0.84 -0.32 0.00 2.57 0.00 0.00 54.79 56.45 3jri n ASP 20 Cb 1.00 -4.14 -0.15 0.00 1.84 0.00 0.00 41.12 39.67 3jri n ASP 20 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3jri s GLN 21 N -5.69 2.02 0.50 -1.24 -0.21 -1.26 -4.92 119.66 108.87 3jri s GLN 21 Ca 0.18 -1.48 -0.21 0.00 0.02 0.00 0.00 55.36 53.87 3jri s GLN 21 Cb -0.05 -2.96 -0.07 0.00 1.00 0.00 0.00 33.01 30.93 3jri s GLN 21 CO 0.81 -0.67 1.14 0.08 -2.12 0.00 0.00 175.29 174.53 3jri s VAL 22 N 1.06 3.17 -0.29 1.09 1.01 -1.26 -3.12 120.40 122.06 3jri s VAL 22 Ca -0.04 0.79 -0.21 0.00 0.00 0.00 0.00 61.98 62.52 3jri s VAL 22 Cb -0.20 -3.36 0.15 0.00 0.00 0.00 0.00 36.38 32.97 3jri s VAL 22 CO -0.06 -0.10 1.10 0.28 0.00 0.00 0.00 175.10 176.33 3jri s THR 23 N -1.68 0.00 0.48 3.92 -1.32 -0.35 -4.90 115.64 111.78 3jri s THR 23 Ca 0.69 0.00 -0.19 0.00 -1.21 0.00 0.00 61.69 60.97 3jri s THR 23 Cb -0.26 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.64 3jri s THR 23 CO 0.30 0.00 0.98 -1.58 -2.21 0.00 0.00 174.62 172.11 3jri s GLN 24 N 0.61 3.99 -0.07 7.08 2.00 -1.26 -0.69 119.66 131.33 3jri s GLN 24 Ca -0.01 1.12 -0.27 0.00 -2.00 0.00 0.00 55.36 54.20 3jri s GLN 24 Cb -0.04 -2.14 0.06 0.00 0.80 0.00 0.00 33.01 31.69 3jri s GLN 24 CO -0.11 -0.24 0.60 -1.59 -0.50 0.00 0.00 175.29 173.45 3jri s LYS 25 N -3.54 0.94 0.59 1.67 0.00 -0.65 -4.90 119.74 113.86 3jri s LYS 25 Ca 0.62 0.24 -0.17 0.00 0.00 0.00 0.00 55.97 56.66 3jri s LYS 25 Cb -0.11 0.44 -0.03 0.00 0.00 0.00 0.00 37.83 38.13 3jri s LYS 25 CO 0.22 -0.27 1.11 -1.25 0.00 0.00 0.00 175.35 175.16 3jri s PRO 26 N -1.04 3.15 0.34 1.78 0.04 -1.26 -0.83 135.00 137.18 3jri s PRO 26 Ca -0.10 1.47 0.03 0.00 0.04 0.00 0.00 61.00 62.44 3jri s PRO 26 Cb -0.02 -1.99 0.61 0.00 0.04 0.00 0.00 34.50 33.14 3jri s PRO 26 CO 0.08 -0.99 1.92 1.25 0.04 0.00 0.00 177.00 179.30 3jri h LEU 27 N 0.67 0.59 -0.77 -3.56 5.85 -1.52 -2.23 115.31 114.34 3jri h LEU 27 Ca -0.48 -0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.23 3jri h LEU 27 Cb 1.25 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 42.07 3jri h LEU 27 CO 0.56 0.56 0.45 0.08 -0.34 0.00 0.00 178.44 179.75 3jri h ARG 28 N 0.64 0.78 -0.61 1.25 0.11 -1.91 0.85 114.38 115.48 3jri h ARG 28 Ca 0.15 -0.05 0.08 0.00 0.10 0.00 0.00 59.98 60.27 3jri h ARG 28 Cb 0.18 -0.17 -0.07 0.00 1.11 0.00 0.00 29.97 31.02 3jri h ARG 28 CO -0.01 0.51 0.26 -0.44 0.10 0.00 0.00 179.97 180.39 3jri h ASP 29 N 0.80 0.30 -0.64 0.08 3.45 -1.76 0.15 116.42 118.79 3jri h ASP 29 Ca 0.35 0.06 -0.05 0.00 0.43 0.00 0.00 57.03 57.83 3jri h ASP 29 Cb 0.24 0.02 -0.03 0.00 -0.56 0.00 0.00 39.33 39.00 3jri h ASP 29 CO -0.20 0.18 0.21 -1.28 -1.57 0.00 0.00 179.24 176.58 3jri h SER 30 N 0.46 0.95 0.14 6.45 0.87 -1.26 -1.67 113.55 119.48 3jri h SER 30 Ca 0.30 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 3jri h SER 30 Cb 0.33 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 3jri h SER 30 CO -0.27 0.88 -0.07 0.58 -0.53 0.00 0.00 176.83 177.42 3jri h VAL 31 N 0.98 0.95 -0.52 2.23 2.07 0.51 -2.53 116.25 119.95 3jri h VAL 31 Ca 0.22 -0.36 0.10 0.00 0.82 0.00 0.00 66.70 67.48 3jri h VAL 31 Cb 0.27 1.18 -0.09 0.00 -1.52 0.00 0.00 31.29 31.13 3jri h VAL 31 CO -0.01 0.09 -0.03 0.50 0.02 0.00 0.00 177.57 178.14 3jri h LYS 32 N -0.36 0.09 -0.50 1.57 3.64 -0.78 -0.42 116.57 119.80 3jri h LYS 32 Ca -0.02 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.44 3jri h LYS 32 Cb 0.28 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.01 3jri h LYS 32 CO 0.03 0.06 0.09 0.37 -2.27 0.00 0.00 179.45 177.73 3jri h GLN 33 N 0.09 0.22 -0.73 1.90 4.15 -1.11 0.28 115.11 119.91 3jri h GLN 33 Ca 0.26 -0.01 0.16 0.00 0.77 0.00 0.00 58.65 59.83 3jri h GLN 33 Cb 0.40 -0.05 -0.12 0.00 0.21 0.00 0.00 27.48 27.92 3jri h GLN 33 CO -0.46 0.14 0.04 0.00 -1.93 0.00 0.00 178.83 176.62 3jri h ALA 34 N 1.40 0.79 0.03 3.38 0.00 -0.66 0.11 119.26 124.30 3jri h ALA 34 Ca 0.25 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.38 3jri h ALA 34 Cb 0.35 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3jri h ALA 34 CO -0.34 -0.41 -0.01 -0.07 0.00 0.00 0.00 179.25 178.42 3jri h LEU 35 N 0.13 -0.03 -0.99 0.00 3.38 -0.88 -0.09 115.31 116.83 3jri h LEU 35 Ca 0.40 -0.67 0.19 0.00 0.09 0.00 0.00 57.88 57.89 3jri h LEU 35 Cb 0.69 0.01 -0.18 0.00 0.09 0.00 0.00 40.66 41.27 3jri h LEU 35 CO -0.61 0.69 -0.26 0.29 0.09 0.00 0.00 178.44 178.63 3jri n LYS 36 N -4.76 -0.11 -0.19 1.13 5.02 0.00 0.25 118.16 119.51 3jri n LYS 36 Ca -0.09 1.54 -0.08 0.00 -2.02 0.00 0.00 58.31 57.66 3jri n LYS 36 Cb 0.34 -2.29 0.06 0.00 -0.02 0.00 0.00 35.03 33.11 3jri n LYS 36 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 3jri h ASN 37 N 0.00 1.00 0.19 4.39 -1.24 -0.70 -1.99 115.58 117.22 3jri h ASN 37 Ca 0.46 -0.27 0.01 0.00 0.71 0.00 0.00 56.30 57.20 3jri h ASN 37 Cb 0.71 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.47 3jri h ASN 37 CO -1.01 1.05 -0.20 0.22 -1.29 0.00 0.00 177.43 176.19 3jri h TYR 38 N 0.94 -0.54 0.39 0.67 3.20 0.18 -2.88 116.97 118.93 3jri h TYR 38 Ca 0.17 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 3jri h TYR 38 Cb 0.54 0.21 -0.00 0.00 1.54 0.00 0.00 36.73 39.02 3jri h TYR 38 CO 0.04 -0.30 -0.23 0.74 -1.64 0.00 0.00 178.16 176.77 3jri h PHE 39 N -0.43 -0.59 -0.85 -3.82 0.05 -1.16 -2.45 116.94 107.68 3jri h PHE 39 Ca 0.01 -0.01 0.19 0.00 3.82 0.00 0.00 57.97 61.98 3jri h PHE 39 Cb 0.41 0.21 -0.16 0.00 2.00 0.00 0.00 35.95 38.41 3jri h PHE 39 CO -0.16 -0.35 -0.15 0.00 -0.18 0.00 0.00 178.31 177.47 3jri n ALA 40 N -2.40 0.27 0.41 2.45 0.00 -0.75 -1.86 120.51 118.61 3jri n ALA 40 Ca -0.11 0.93 -0.19 0.00 0.00 0.00 0.00 53.44 54.08 3jri n ALA 40 Cb 0.26 -0.59 -0.09 0.00 0.00 0.00 0.00 19.45 19.03 3jri n ALA 40 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3jri h GLN 41 N 0.00 -1.00 -6.59 0.00 1.08 -1.22 -3.41 115.11 103.96 3jri h GLN 41 Ca 0.44 0.07 -0.53 0.00 -1.45 0.00 0.00 58.65 57.18 3jri h GLN 41 Cb 0.75 0.23 0.03 0.00 -0.05 0.00 0.00 27.48 28.43 3jri h GLN 41 CO -0.86 -0.67 0.76 -0.48 -0.95 0.00 0.00 178.83 176.64 3jri s LEU 42 N -10.05 4.38 -0.91 1.46 2.34 -0.78 -4.92 118.68 110.19 3jri s LEU 42 Ca -0.18 2.43 -0.00 0.00 0.06 0.00 0.00 54.13 56.43 3jri s LEU 42 Cb 0.03 -3.59 0.28 0.00 -0.56 0.00 0.00 46.19 42.35 3jri s LEU 42 CO 0.61 -0.69 1.17 0.59 -1.06 0.00 0.00 176.35 176.98 3jri n ASN 43 N 3.71 5.32 0.00 1.48 5.03 -1.26 -4.66 115.26 124.88 3jri n ASN 43 Ca 0.11 -3.41 0.00 0.00 0.87 0.00 0.00 54.58 52.15 3jri n ASN 43 Cb 0.41 -1.04 0.00 0.00 -1.02 0.00 0.00 39.78 38.14 3jri n ASN 43 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3jri n GLY 44 N 1.20 0.99 3.69 7.41 0.00 -1.26 -5.01 105.19 112.21 3jri n GLY 44 Ca 0.27 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.85 3jri n GLY 44 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3jri n GLN 45 N -2.00 2.54 -1.94 1.61 6.02 -1.26 -4.92 117.38 117.43 3jri n GLN 45 Ca 0.00 0.92 -0.32 0.00 -0.01 0.00 0.00 57.00 57.59 3jri n GLN 45 Cb 0.00 -2.77 0.02 0.00 1.02 0.00 0.00 30.24 28.51 3jri n GLN 45 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3jri s ASP 46 N 2.27 5.63 -0.20 1.08 1.01 -1.26 -4.98 116.67 120.22 3jri s ASP 46 Ca 0.82 1.81 -0.10 0.00 0.71 0.00 0.00 52.55 55.80 3jri s ASP 46 Cb -0.57 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 40.79 3jri s ASP 46 CO 0.39 -1.27 0.12 -0.69 0.21 0.00 0.00 175.17 173.92 3jri s VAL 47 N -2.52 5.30 -0.17 -1.27 1.01 -1.26 -5.03 120.40 116.45 3jri s VAL 47 Ca 0.63 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.79 3jri s VAL 47 Cb -0.16 -3.41 -0.22 0.00 0.00 0.00 0.00 36.38 32.58 3jri s VAL 47 CO 0.40 0.44 0.14 -3.20 0.00 0.00 0.00 175.10 172.88 3jri n ASN 48 N 3.51 1.59 -3.04 3.32 4.05 -1.26 -4.82 115.26 118.61 3jri n ASN 48 Ca -0.16 0.08 -0.18 0.00 0.45 0.00 0.00 54.58 54.76 3jri n ASN 48 Cb 0.52 -0.31 -0.03 0.00 1.23 0.00 0.00 39.78 41.19 3jri n ASN 48 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 3jri n ASP 49 N -3.23 -0.86 0.15 1.20 9.92 -1.26 -4.97 116.55 117.50 3jri n ASP 49 Ca -0.35 -2.92 -0.00 0.00 -0.53 0.00 0.00 54.79 50.99 3jri n ASP 49 Cb 1.04 0.21 0.23 0.00 -0.64 0.00 0.00 41.12 41.96 3jri n ASP 49 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 3jri h LEU 50 N 3.96 0.01 -0.03 0.64 5.85 -2.00 -2.66 115.31 121.09 3jri h LEU 50 Ca -0.00 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3jri h LEU 50 Cb 0.93 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.96 3jri h LEU 50 CO 0.41 0.55 -0.07 0.22 -0.34 0.00 0.00 178.44 179.21 3jri h TYR 51 N 0.01 0.13 0.00 1.25 3.20 -1.99 -0.67 116.97 118.89 3jri h TYR 51 Ca -0.00 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.79 3jri h TYR 51 Cb 0.96 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.20 3jri h TYR 51 CO 0.00 0.67 -0.14 1.49 -1.64 0.00 0.00 178.16 178.54 3jri h GLU 52 N -0.45 0.00 0.55 1.82 4.57 -1.97 -1.24 114.58 117.85 3jri h GLU 52 Ca -0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 3jri h GLU 52 Cb 0.67 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.26 3jri h GLU 52 CO 0.02 0.14 -0.26 1.25 -1.18 0.00 0.00 179.01 178.97 3jri h LEU 53 N 0.00 -0.62 0.25 1.64 5.85 -1.33 -2.33 115.31 118.77 3jri h LEU 53 Ca -0.00 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.75 3jri h LEU 53 Cb 0.32 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 3jri h LEU 53 CO 0.02 -0.22 -0.41 0.58 -0.34 0.00 0.00 178.44 178.07 3jri h VAL 54 N -1.20 0.17 -0.89 1.05 2.07 -0.95 -1.89 116.25 114.61 3jri h VAL 54 Ca -0.08 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.65 3jri h VAL 54 Cb 0.57 0.17 -0.16 0.00 -1.52 0.00 0.00 31.29 30.34 3jri h VAL 54 CO 0.12 0.00 -0.06 0.25 0.02 0.00 0.00 177.57 177.90 3jri h LEU 55 N -0.74 -0.55 -1.90 2.57 6.46 -1.36 1.53 115.31 121.32 3jri h LEU 55 Ca -0.01 0.25 0.03 0.00 -0.12 0.00 0.00 57.88 58.04 3jri h LEU 55 Cb 0.71 0.46 -0.01 0.00 -0.73 0.00 0.00 40.66 41.09 3jri h LEU 55 CO -0.16 -0.28 0.14 0.00 -0.62 0.00 0.00 178.44 177.52 3jri h ALA 56 N 1.87 2.03 0.00 1.25 0.00 -0.88 0.17 119.26 123.70 3jri h ALA 56 Ca 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3jri h ALA 56 Cb 0.88 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3jri h ALA 56 CO -0.84 -0.07 -0.12 0.39 0.00 0.00 0.00 179.25 178.61 3jri n GLU 57 N -4.50 0.12 -0.10 0.00 -0.58 0.51 -3.57 120.64 112.52 3jri n GLU 57 Ca 0.01 0.08 -0.15 0.00 -0.42 0.00 0.00 57.16 56.68 3jri n GLU 57 Cb 0.19 -1.62 -0.08 0.00 -0.57 0.00 0.00 31.44 29.36 3jri n GLU 57 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3jri n VAL 58 N -1.82 1.09 0.12 2.62 0.31 -0.38 -4.51 118.33 115.77 3jri n VAL 58 Ca 0.06 -0.38 -0.14 0.00 -0.01 0.00 0.00 64.34 63.88 3jri n VAL 58 Cb 0.38 -1.33 -0.06 0.00 -0.91 0.00 0.00 33.84 31.91 3jri n VAL 58 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3jri h GLU 59 N -0.20 -0.56 -0.30 5.55 5.08 -0.90 -2.86 114.58 120.38 3jri h GLU 59 Ca -0.44 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 57.98 3jri h GLU 59 Cb 1.60 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.93 3jri h GLU 59 CO -0.13 -0.38 -0.28 1.96 -1.00 0.00 0.00 179.01 179.19 3jri h GLN 60 N -0.59 -0.12 0.00 2.33 4.20 -1.79 0.32 115.11 119.46 3jri h GLN 60 Ca 0.03 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 3jri h GLN 60 Cb 0.61 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.42 3jri h GLN 60 CO -0.19 -0.08 -0.03 -1.00 -0.67 0.00 0.00 178.83 176.86 3jri h PRO 61 N -0.12 0.00 -0.05 1.46 0.13 -1.79 0.45 132.00 132.08 3jri h PRO 61 Ca 0.05 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.94 3jri h PRO 61 Cb 0.25 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.40 3jri h PRO 61 CO -0.35 0.03 -0.92 1.25 -0.23 0.00 0.00 178.00 177.78 3jri h LEU 62 N 0.00 0.80 0.11 1.56 5.85 -0.92 -2.37 115.31 120.34 3jri h LEU 62 Ca -0.00 -0.59 -0.01 0.00 0.84 0.00 0.00 57.88 58.12 3jri h LEU 62 Cb 0.30 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3jri h LEU 62 CO 0.00 1.39 -0.05 -0.07 -0.34 0.00 0.00 178.44 179.37 3jri h LEU 63 N 0.39 -0.13 -0.49 2.25 3.38 0.15 -2.41 115.31 118.45 3jri h LEU 63 Ca -0.09 -0.22 0.10 0.00 0.09 0.00 0.00 57.88 57.75 3jri h LEU 63 Cb 1.55 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 42.25 3jri h LEU 63 CO 0.18 0.16 -0.03 -0.78 0.09 0.00 0.00 178.44 178.06 3jri h ASP 64 N -0.42 -0.27 0.26 -0.43 1.82 -1.06 -1.81 116.42 114.51 3jri h ASP 64 Ca -0.02 0.13 -0.18 0.00 -0.39 0.00 0.00 57.03 56.57 3jri h ASP 64 Cb 0.34 0.23 -0.00 0.00 0.68 0.00 0.00 39.33 40.58 3jri h ASP 64 CO 0.02 -0.09 -0.73 0.24 -1.61 0.00 0.00 179.24 177.07 3jri h MET 65 N 0.09 0.40 -0.31 0.28 2.86 -1.36 -0.49 114.93 116.40 3jri h MET 65 Ca 0.25 -0.33 -0.17 0.00 -2.06 0.00 0.00 59.70 57.38 3jri h MET 65 Cb 0.38 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 3jri h MET 65 CO -0.44 0.97 -0.49 -0.39 1.06 0.00 0.00 176.91 177.62 3jri h VAL 66 N 0.28 1.28 0.00 -2.22 -1.51 -1.29 -0.51 116.25 112.28 3jri h VAL 66 Ca -0.03 -1.68 -0.06 0.00 -1.23 0.00 0.00 66.70 63.70 3jri h VAL 66 Cb 1.30 1.56 -0.01 0.00 -2.13 0.00 0.00 31.29 32.01 3jri h VAL 66 CO 0.12 0.55 -0.27 0.24 -1.23 0.00 0.00 177.57 176.98 3jri h MET 67 N 0.67 0.00 -0.25 5.19 2.86 -1.21 0.77 114.93 122.96 3jri h MET 67 Ca 0.03 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.56 3jri h MET 67 Cb 1.09 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.75 3jri h MET 67 CO 0.11 0.27 -0.26 0.37 1.06 0.00 0.00 176.91 178.47 3jri h GLN 68 N 0.00 0.62 -0.07 1.72 4.15 -0.88 -0.52 115.11 120.13 3jri h GLN 68 Ca -0.00 -0.33 -0.02 0.00 0.77 0.00 0.00 58.65 59.07 3jri h GLN 68 Cb 0.51 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.21 3jri h GLN 68 CO 0.04 0.93 -0.02 -0.92 -1.93 0.00 0.00 178.83 176.93 3jri h TYR 69 N 0.33 0.15 -0.04 3.99 3.20 -0.04 -2.95 116.97 121.61 3jri h TYR 69 Ca 0.04 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3jri h TYR 69 Cb 0.82 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.05 3jri h TYR 69 CO 0.08 0.47 0.00 0.25 -1.64 0.00 0.00 178.16 177.31 3jri n THR 70 N -4.81 0.16 -4.22 1.81 -2.24 0.26 -4.88 114.28 100.36 3jri n THR 70 Ca -0.07 -0.08 -0.33 0.00 -2.27 0.00 0.00 64.05 61.30 3jri n THR 70 Cb 0.23 -0.44 -0.05 0.00 -2.10 0.00 0.00 70.33 67.97 3jri n THR 70 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3jri n ARG 71 N -0.00 -2.24 -0.35 -0.78 1.74 -1.11 -0.46 116.66 113.45 3jri n ARG 71 Ca 0.02 0.27 0.00 0.00 -0.77 0.00 0.00 57.85 57.37 3jri n ARG 71 Cb 0.28 -4.47 0.00 0.00 -1.02 0.00 0.00 32.46 27.25 3jri n ARG 71 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jri n GLY 72 N -1.83 1.87 3.56 -0.13 0.00 -0.22 -4.97 105.19 103.47 3jri n GLY 72 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 3jri n GLY 72 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3jri s ASN 73 N -3.41 5.77 0.07 1.61 3.84 0.39 -4.86 114.94 118.36 3jri s ASN 73 Ca 0.00 0.24 -0.23 0.00 0.21 0.00 0.00 52.86 53.08 3jri s ASN 73 Cb 0.00 -2.54 -0.15 0.00 -0.55 0.00 0.00 41.25 38.01 3jri s ASN 73 CO 0.00 -2.00 1.61 1.56 -2.79 0.00 0.00 177.10 175.48 3jri h GLN 74 N 12.57 0.07 -0.56 0.43 4.20 -1.93 -2.30 115.11 127.59 3jri h GLN 74 Ca -0.27 -0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.53 3jri h GLN 74 Cb 1.12 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.80 3jri h GLN 74 CO 1.20 0.19 0.06 1.15 -0.67 0.00 0.00 178.83 180.76 3jri h THR 75 N -0.07 0.61 -0.75 -0.54 2.02 -1.97 -1.22 112.91 110.99 3jri h THR 75 Ca 0.02 -0.06 -0.05 0.00 0.77 0.00 0.00 66.41 67.08 3jri h THR 75 Cb 0.14 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 3jri h THR 75 CO -0.00 0.03 0.28 0.03 0.37 0.00 0.00 175.52 176.23 3jri h ARG 76 N 0.18 1.14 0.20 6.66 2.47 -1.91 -3.07 114.38 120.06 3jri h ARG 76 Ca 0.29 -0.22 -0.01 0.00 -1.26 0.00 0.00 59.98 58.78 3jri h ARG 76 Cb 0.44 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 3jri h ARG 76 CO -0.42 0.95 -0.10 0.00 0.56 0.00 0.00 179.97 180.96 3jri h ALA 77 N 1.14 -0.27 -0.00 0.04 0.00 -0.72 -2.39 119.26 117.06 3jri h ALA 77 Ca 0.25 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3jri h ALA 77 Cb 0.25 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3jri h ALA 77 CO -0.02 -0.54 0.08 0.00 0.00 0.00 0.00 179.25 178.77 3jri h ALA 78 N 0.26 1.10 0.00 0.00 0.00 -1.21 0.85 119.26 120.25 3jri h ALA 78 Ca -0.03 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.59 3jri h ALA 78 Cb 0.37 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 3jri h ALA 78 CO 0.05 -0.08 -1.80 1.28 0.00 0.00 0.00 179.25 178.69 3jri n LEU 79 N -3.05 0.71 -0.30 0.00 4.77 -1.17 -2.73 117.00 115.24 3jri n LEU 79 Ca -0.03 0.34 -0.05 0.00 -0.03 0.00 0.00 56.01 56.24 3jri n LEU 79 Cb 0.15 0.22 0.07 0.00 -2.33 0.00 0.00 43.42 41.53 3jri n LEU 79 CO 0.19 0.38 1.12 0.24 -1.33 0.00 0.00 177.39 177.99 3jri h MET 80 N 0.00 1.17 0.01 3.23 2.86 -0.33 -3.27 114.93 118.60 3jri h MET 80 Ca -0.32 -0.16 -0.27 0.00 -2.06 0.00 0.00 59.70 56.89 3jri h MET 80 Cb 2.01 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 33.41 3jri h MET 80 CO 0.07 0.89 -1.48 0.52 1.06 0.00 0.00 176.91 177.96 3jri h MET 81 N 1.16 0.03 0.00 1.72 2.86 -1.42 -3.48 114.93 115.79 3jri h MET 81 Ca 0.28 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 3jri h MET 81 Cb 0.09 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.76 3jri h MET 81 CO -0.04 0.72 0.00 0.41 1.06 0.00 0.00 176.91 179.06 3jri n GLY 82 N 1.51 0.58 0.00 8.32 0.00 -1.10 -5.07 105.19 109.42 3jri n GLY 82 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3jri n GLY 82 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3jri n ILE 83 N -2.00 0.00 -4.46 -0.61 -5.35 -1.12 -5.02 119.36 100.80 3jri n ILE 83 Ca 0.00 0.00 -0.31 0.00 -0.27 0.00 0.00 62.75 62.17 3jri n ILE 83 Cb 0.00 -1.90 -0.11 0.00 -1.74 0.00 0.00 39.64 35.89 3jri n ILE 83 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3jri s ASN 84 N -1.00 4.20 0.24 7.28 3.84 -1.26 -4.58 114.94 123.65 3jri s ASN 84 Ca 0.00 -0.34 -0.12 0.00 0.21 0.00 0.00 52.86 52.61 3jri s ASN 84 Cb 0.00 -0.80 0.32 0.00 -0.55 0.00 0.00 41.25 40.22 3jri s ASN 84 CO 0.00 0.24 1.60 0.03 -2.79 0.00 0.00 177.10 176.18 3jri h ARG 85 N 4.23 -0.00 -0.44 0.43 3.08 -1.91 0.35 114.38 120.12 3jri h ARG 85 Ca -0.48 0.00 0.09 0.00 0.07 0.00 0.00 59.98 59.65 3jri h ARG 85 Cb 1.16 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.12 3jri h ARG 85 CO 0.50 -0.00 -0.29 0.78 -1.07 0.00 0.00 179.97 179.89 3jri h GLY 86 N -0.00 -0.13 0.60 0.04 0.00 -1.99 0.17 103.07 101.76 3jri h GLY 86 Ca 0.37 0.38 0.05 0.00 0.00 0.00 0.00 47.33 48.13 3jri h GLY 86 CO -0.80 -0.21 0.12 -0.84 0.00 0.00 0.00 176.54 174.81 3jri h THR 87 N -0.21 0.85 -0.96 4.70 2.02 -0.84 -0.79 112.91 117.68 3jri h THR 87 Ca 0.19 -0.09 0.06 0.00 0.77 0.00 0.00 66.41 67.35 3jri h THR 87 Cb 0.52 0.56 -0.07 0.00 -1.74 0.00 0.00 68.15 67.42 3jri h THR 87 CO -0.55 0.05 0.62 0.25 0.37 0.00 0.00 175.52 176.25 3jri h LEU 88 N 0.26 0.99 -0.10 2.58 5.85 0.14 0.52 115.31 125.55 3jri h LEU 88 Ca 0.19 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 3jri h LEU 88 Cb 0.19 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 3jri h LEU 88 CO -0.21 0.63 -0.01 0.03 -0.34 0.00 0.00 178.44 178.54 3jri h ARG 89 N 1.13 0.18 -0.82 1.25 3.08 -0.13 -1.64 114.38 117.42 3jri h ARG 89 Ca 0.42 -0.06 0.13 0.00 0.07 0.00 0.00 59.98 60.54 3jri h ARG 89 Cb 0.16 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.14 3jri h ARG 89 CO -0.17 0.46 0.54 -0.22 -1.07 0.00 0.00 179.97 179.51 3jri h LYS 90 N -0.12 0.58 0.00 0.04 3.64 -0.38 -0.56 116.57 119.77 3jri h LYS 90 Ca 0.03 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.20 3jri h LYS 90 Cb 0.39 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 3jri h LYS 90 CO 0.01 0.38 -0.80 0.87 -2.27 0.00 0.00 179.45 177.65 3jri h LYS 91 N 0.60 0.00 -0.42 1.90 1.57 -0.56 -2.07 116.57 117.59 3jri h LYS 91 Ca 0.40 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 59.06 3jri h LYS 91 Cb 0.71 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 3jri h LYS 91 CO -0.16 0.80 -0.22 -0.07 -0.57 0.00 0.00 179.45 179.22 3jri h LEU 92 N 0.00 0.92 -0.51 2.94 3.38 -0.29 -2.46 115.31 119.29 3jri h LEU 92 Ca -0.01 -0.41 0.06 0.00 0.09 0.00 0.00 57.88 57.62 3jri h LEU 92 Cb 1.53 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.97 3jri h LEU 92 CO 0.10 1.13 0.21 0.11 0.09 0.00 0.00 178.44 180.08 3jri h LYS 93 N 0.71 0.39 -0.99 1.13 1.79 -1.05 0.61 116.57 119.15 3jri h LYS 93 Ca 0.09 -0.02 0.17 0.00 -2.18 0.00 0.00 60.65 58.71 3jri h LYS 93 Cb 0.79 -0.09 -0.10 0.00 -1.58 0.00 0.00 32.23 31.26 3jri h LYS 93 CO 0.07 0.26 0.62 -0.22 -1.08 0.00 0.00 179.45 179.09 3jri h LYS 94 N 0.40 0.77 -0.28 3.15 3.64 -0.90 0.41 116.57 123.75 3jri h LYS 94 Ca 0.24 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3jri h LYS 94 Cb 0.24 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3jri h LYS 94 CO -0.23 0.51 0.00 0.66 -2.27 0.00 0.00 179.45 178.12 3jri n TYR 95 N -4.69 0.36 -3.54 1.91 4.01 -1.07 -4.99 117.16 109.14 3jri n TYR 95 Ca 0.22 -0.26 -0.22 0.00 -0.16 0.00 0.00 57.90 57.48 3jri n TYR 95 Cb 0.52 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.57 3jri n TYR 95 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3jri n GLY 96 N 1.00 -1.13 2.77 2.72 0.00 0.18 -4.91 105.19 105.82 3jri n GLY 96 Ca 0.14 0.50 -0.37 0.00 0.00 0.00 0.00 46.02 46.29 3jri n GLY 96 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3jri n MET 97 N -3.22 4.42 0.00 1.61 2.81 0.40 -4.99 117.12 118.14 3jri n MET 97 Ca -0.12 -4.68 0.00 0.00 -1.81 0.00 0.00 57.70 51.09 3jri n MET 97 Cb 0.59 -2.41 0.00 0.00 -0.71 0.00 0.00 33.22 30.69 3jri n MET 97 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75