#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 7rnt h ASP 3 N 4.59 0.10 -3.51 0.00 3.32 -0.91 -3.45 116.42 116.57 7rnt h ASP 3 Ca -0.52 -0.11 -0.27 0.00 0.02 0.00 0.00 57.03 56.15 7rnt h ASP 3 Cb 1.22 -0.03 -0.33 0.00 0.22 0.00 0.00 39.33 40.41 7rnt h ASP 3 CO 0.61 1.09 -0.68 -0.31 -1.72 0.00 0.00 179.24 178.24 7rnt s TYR 4 N -2.69 -0.05 -0.21 4.55 2.02 -0.61 -4.98 117.35 115.39 7rnt s TYR 4 Ca -0.01 0.26 0.01 0.00 -0.37 0.00 0.00 57.07 56.96 7rnt s TYR 4 Cb 0.09 -0.16 0.03 0.00 -0.40 0.00 0.00 41.96 41.52 7rnt s TYR 4 CO 0.83 -0.11 -0.15 0.99 -1.57 0.00 0.00 175.55 175.54 7rnt s THR 5 N 1.02 2.27 -0.65 -0.71 2.01 -1.26 -0.76 115.64 117.56 7rnt s THR 5 Ca -0.08 -1.08 -0.05 0.00 0.31 0.00 0.00 61.69 60.78 7rnt s THR 5 Cb -0.11 -2.07 0.17 0.00 0.01 0.00 0.00 72.50 70.50 7rnt s THR 5 CO -0.04 0.36 0.49 0.00 -0.69 0.00 0.00 174.62 174.75 7rnt n GLY 7 N 3.68 1.49 0.44 0.00 0.00 -1.26 -0.89 105.19 108.64 7rnt n GLY 7 Ca 0.08 0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.21 7rnt n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 7rnt n SER 8 N 10.01 1.84 -4.74 1.61 3.41 -1.26 -4.97 113.62 119.52 7rnt n SER 8 Ca 0.00 -1.42 -0.41 0.00 -0.26 0.00 0.00 58.87 56.78 7rnt n SER 8 Cb 0.00 0.19 -0.05 0.00 -0.26 0.00 0.00 64.21 64.09 7rnt n SER 8 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 7rnt s ASN 9 N -1.32 7.48 -0.17 4.04 0.01 -0.07 -5.04 114.94 119.87 7rnt s ASN 9 Ca 0.14 1.92 -0.02 0.00 -0.71 0.00 0.00 52.86 54.19 7rnt s ASN 9 Cb 0.11 -2.60 -0.01 0.00 0.41 0.00 0.00 41.25 39.16 7rnt s ASN 9 CO 0.23 -0.04 -0.10 0.00 -1.51 0.00 0.00 177.10 175.68 7rnt s TYR 11 N 0.86 1.41 0.32 0.00 2.02 0.06 -5.02 117.35 117.01 7rnt s TYR 11 Ca -0.03 -0.32 0.06 0.00 -0.37 0.00 0.00 57.07 56.42 7rnt s TYR 11 Cb -0.15 -0.87 -0.01 0.00 -0.40 0.00 0.00 41.96 40.53 7rnt s TYR 11 CO 0.00 0.02 0.43 -1.54 -1.57 0.00 0.00 175.55 172.90 7rnt s SER 12 N -0.83 5.93 0.27 2.29 1.04 -1.26 -0.17 113.70 120.96 7rnt s SER 12 Ca 0.05 -0.19 -0.02 0.00 0.48 0.00 0.00 55.95 56.27 7rnt s SER 12 Cb -0.07 -1.28 0.44 0.00 0.10 0.00 0.00 66.02 65.21 7rnt s SER 12 CO 0.01 -0.37 1.86 0.28 0.98 0.00 0.00 173.24 175.99 7rnt h SER 13 N 0.98 0.96 -0.70 7.02 0.02 -1.98 -0.51 113.55 119.34 7rnt h SER 13 Ca -0.46 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 60.55 7rnt h SER 13 Cb 1.25 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.58 7rnt h SER 13 CO 0.54 0.58 0.46 0.77 -1.14 0.00 0.00 176.83 178.05 7rnt h SER 14 N 1.08 0.70 -0.44 3.07 4.64 -1.99 0.12 113.55 120.74 7rnt h SER 14 Ca 0.45 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.66 7rnt h SER 14 Cb 0.28 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 7rnt h SER 14 CO -0.21 0.48 -0.11 0.44 -0.87 0.00 0.00 176.83 176.56 7rnt h ASP 15 N 0.81 0.86 -0.17 4.97 3.32 -1.49 -2.11 116.42 122.61 7rnt h ASP 15 Ca 0.29 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 7rnt h ASP 15 Cb 0.12 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 7rnt h ASP 15 CO -0.09 1.02 0.07 0.58 -1.72 0.00 0.00 179.24 179.11 7rnt h VAL 16 N 0.68 1.15 -0.74 -1.35 2.07 -0.72 -2.50 116.25 114.84 7rnt h VAL 16 Ca 0.11 -0.45 0.07 0.00 0.82 0.00 0.00 66.70 67.24 7rnt h VAL 16 Cb 0.65 1.15 -0.06 0.00 -1.52 0.00 0.00 31.29 31.51 7rnt h VAL 16 CO 0.04 0.14 0.43 0.28 0.02 0.00 0.00 177.57 178.49 7rnt h SER 17 N 0.12 0.65 -0.29 0.57 0.02 -0.72 0.04 113.55 113.93 7rnt h SER 17 Ca 0.06 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 7rnt h SER 17 Cb 0.16 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 7rnt h SER 17 CO -0.00 0.41 0.04 0.74 -1.14 0.00 0.00 176.83 176.88 7rnt h THR 18 N 0.78 1.23 -0.31 -2.27 2.02 -1.29 -1.86 112.91 111.21 7rnt h THR 18 Ca 0.34 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 7rnt h THR 18 Cb 0.21 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 7rnt h THR 18 CO -0.19 0.26 0.17 0.00 0.37 0.00 0.00 175.52 176.13 7rnt h ALA 19 N 0.87 0.39 -0.42 6.16 0.00 -1.11 -2.38 119.26 122.78 7rnt h ALA 19 Ca 0.09 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.97 7rnt h ALA 19 Cb 0.35 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 7rnt h ALA 19 CO 0.01 -0.08 0.17 0.37 0.00 0.00 0.00 179.25 179.72 7rnt h GLN 20 N 0.38 0.34 -0.59 0.00 4.15 -0.91 -1.34 115.11 117.15 7rnt h GLN 20 Ca 0.11 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.49 7rnt h GLN 20 Cb 0.06 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.64 7rnt h GLN 20 CO -0.02 0.23 0.29 0.00 -1.93 0.00 0.00 178.83 177.40 7rnt h ALA 21 N 1.26 1.41 -0.14 3.38 0.00 -1.17 0.10 119.26 124.10 7rnt h ALA 21 Ca 0.19 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 7rnt h ALA 21 Cb 0.15 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 7rnt h ALA 21 CO -0.17 0.47 -0.17 0.00 0.00 0.00 0.00 179.25 179.38 7rnt h ALA 22 N 1.50 0.21 -0.40 0.00 0.00 -0.89 -2.58 119.26 117.10 7rnt h ALA 22 Ca 0.21 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.78 7rnt h ALA 22 Cb 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 7rnt h ALA 22 CO -0.03 0.12 0.26 0.78 0.00 0.00 0.00 179.25 180.38 7rnt h GLY 23 N -0.02 0.57 1.20 0.00 0.00 -0.98 -2.59 103.07 101.25 7rnt h GLY 23 Ca 0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 7rnt h GLY 23 CO 0.04 0.22 0.31 -1.82 0.00 0.00 0.00 176.54 175.29 7rnt h TYR 24 N 0.54 1.04 -0.48 5.60 3.20 -0.83 -1.73 116.97 124.32 7rnt h TYR 24 Ca 0.15 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 7rnt h TYR 24 Cb -0.04 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 37.88 7rnt h TYR 24 CO -0.04 0.77 0.26 -0.22 -1.64 0.00 0.00 178.16 177.29 7rnt h LYS 25 N 1.02 0.66 -0.75 1.82 1.63 -1.22 -0.55 116.57 119.19 7rnt h LYS 25 Ca 0.24 -0.08 -0.06 0.00 -0.85 0.00 0.00 60.65 59.91 7rnt h LYS 25 Cb 0.15 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.62 7rnt h LYS 25 CO -0.03 0.52 0.25 -0.07 -3.45 0.00 0.00 179.45 176.67 7rnt h LEU 26 N 0.63 1.08 -0.28 5.20 3.38 -1.25 -1.27 115.31 122.79 7rnt h LEU 26 Ca 0.17 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.96 7rnt h LEU 26 Cb 0.05 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 7rnt h LEU 26 CO -0.03 0.99 0.13 -0.74 0.09 0.00 0.00 178.44 178.88 7rnt h HIS 27 N 1.11 0.24 -0.93 1.13 2.76 -0.79 0.18 115.15 118.86 7rnt h HIS 27 Ca 0.24 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.45 7rnt h HIS 27 Cb 0.29 -0.07 -0.05 0.00 1.55 0.00 0.00 27.41 29.13 7rnt h HIS 27 CO 0.02 0.13 0.61 0.93 -1.30 0.00 0.00 177.93 178.32 7rnt h GLU 28 N 0.28 1.17 0.00 5.26 5.08 -0.77 -1.84 114.58 123.75 7rnt h GLU 28 Ca 0.12 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 7rnt h GLU 28 Cb 0.05 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.04 7rnt h GLU 28 CO -0.10 0.77 0.00 -0.25 -1.00 0.00 0.00 179.01 178.44 7rnt n ASP 29 N -4.47 0.00 -3.31 1.42 8.00 -0.51 -4.89 116.55 112.79 7rnt n ASP 29 Ca 0.11 -1.00 -0.23 0.00 0.71 0.00 0.00 54.79 54.38 7rnt n ASP 29 Cb 0.06 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.22 7rnt n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 7rnt n GLY 30 N 0.95 -0.54 3.44 0.44 0.00 -0.67 -4.98 105.19 103.83 7rnt n GLY 30 Ca 0.23 0.20 -0.26 0.00 0.00 0.00 0.00 46.02 46.19 7rnt n GLY 30 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 7rnt s GLU 31 N -6.01 1.58 0.04 1.61 2.56 -0.04 -5.04 118.70 113.41 7rnt s GLU 31 Ca 0.45 -1.59 -0.01 0.00 0.00 0.00 0.00 54.97 53.82 7rnt s GLU 31 Cb -0.20 -1.83 -0.03 0.00 2.00 0.00 0.00 34.13 34.07 7rnt s GLU 31 CO 0.55 0.38 -0.03 0.95 -0.56 0.00 0.00 175.26 176.55 7rnt s THR 32 N -1.92 0.19 0.05 -1.70 -4.23 -1.26 -4.29 115.64 102.48 7rnt s THR 32 Ca 0.24 -1.59 0.02 0.00 -1.18 0.00 0.00 61.69 59.17 7rnt s THR 32 Cb -0.07 -1.21 -0.03 0.00 1.34 0.00 0.00 72.50 72.53 7rnt s THR 32 CO 0.11 -0.88 -0.07 0.68 -0.54 0.00 0.00 174.62 173.93 7rnt s VAL 33 N -3.33 0.51 0.00 2.29 -7.23 0.29 -4.87 120.40 108.07 7rnt s VAL 33 Ca 0.01 -1.29 0.00 0.00 -1.81 0.00 0.00 61.98 58.90 7rnt s VAL 33 Cb 0.04 -0.85 0.00 0.00 0.56 0.00 0.00 36.38 36.12 7rnt s VAL 33 CO -0.08 -0.54 0.00 0.61 -0.31 0.00 0.00 175.10 174.79 7rnt n GLY 34 N 1.08 -0.93 0.26 2.32 0.00 -1.26 -0.63 105.19 106.02 7rnt n GLY 34 Ca -0.20 -1.58 0.07 0.00 0.00 0.00 0.00 46.02 44.30 7rnt n GLY 34 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 7rnt h SER 35 N 0.00 0.05 -0.43 1.61 4.64 -1.97 -1.11 113.55 116.34 7rnt h SER 35 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 7rnt h SER 35 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 7rnt h SER 35 CO 0.00 0.09 0.00 0.59 -0.87 0.00 0.00 176.83 176.64 7rnt n ASN 36 N -4.48 2.95 -3.41 4.97 5.03 -1.26 -4.99 115.26 114.06 7rnt n ASN 36 Ca -0.02 -2.18 -0.24 0.00 0.87 0.00 0.00 54.58 53.01 7rnt n ASN 36 Cb 0.13 -0.41 0.02 0.00 -1.02 0.00 0.00 39.78 38.50 7rnt n ASN 36 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 7rnt n SER 37 N 0.71 -6.07 -4.91 6.41 7.64 -0.42 -4.89 113.62 112.09 7rnt n SER 37 Ca 0.16 -0.26 -0.33 0.00 1.01 0.00 0.00 58.87 59.46 7rnt n SER 37 Cb 0.53 -2.85 -0.05 0.00 -1.01 0.00 0.00 64.21 60.84 7rnt n SER 37 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 7rnt s TYR 38 N -2.34 3.54 0.51 1.43 2.02 0.20 -3.88 117.35 118.83 7rnt s TYR 38 Ca 0.19 0.37 -0.18 0.00 -0.37 0.00 0.00 57.07 57.09 7rnt s TYR 38 Cb -0.03 -1.85 -0.08 0.00 -0.40 0.00 0.00 41.96 39.61 7rnt s TYR 38 CO 0.85 0.60 1.00 -1.25 -1.57 0.00 0.00 175.55 175.18 7rnt s PRO 39 N -2.18 3.84 0.11 -1.71 0.04 -1.26 -0.55 135.00 133.30 7rnt s PRO 39 Ca 0.31 1.08 0.01 0.00 0.04 0.00 0.00 61.00 62.44 7rnt s PRO 39 Cb -0.13 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 7rnt s PRO 39 CO 0.22 -0.36 -0.02 -3.38 0.04 0.00 0.00 177.00 173.50 7rnt s HIS 40 N -2.44 0.89 0.49 0.56 -3.43 -1.04 -4.93 115.29 105.38 7rnt s HIS 40 Ca 0.61 -1.04 -0.23 0.00 -0.80 0.00 0.00 55.06 53.60 7rnt s HIS 40 Cb -0.12 -0.53 -0.08 0.00 -1.43 0.00 0.00 32.58 30.43 7rnt s HIS 40 CO 0.28 -0.29 1.24 1.63 -2.00 0.00 0.00 174.74 175.60 7rnt n LYS 41 N -0.07 1.68 -4.36 -0.38 4.01 -1.26 -0.62 118.16 117.16 7rnt n LYS 41 Ca -0.10 0.61 -0.30 0.00 -0.51 0.00 0.00 58.31 58.01 7rnt n LYS 41 Cb 0.62 -2.39 -0.17 0.00 -0.51 0.00 0.00 35.03 32.58 7rnt n LYS 41 CO 0.00 0.00 0.00 -0.47 -1.11 0.00 0.00 177.40 175.82 7rnt s TYR 42 N -1.28 2.18 -0.28 2.13 5.04 -0.32 -4.66 117.35 120.16 7rnt s TYR 42 Ca 0.66 -1.11 -0.11 0.00 -2.44 0.00 0.00 57.07 54.08 7rnt s TYR 42 Cb -0.47 -1.56 -0.05 0.00 0.35 0.00 0.00 41.96 40.23 7rnt s TYR 42 CO 0.54 -0.57 0.19 -0.80 -1.34 0.00 0.00 175.55 173.57 7rnt s ASN 43 N 1.10 6.01 -0.32 4.32 -0.87 -1.26 -4.22 114.94 119.70 7rnt s ASN 43 Ca -0.03 -0.01 -0.06 0.00 -1.57 0.00 0.00 52.86 51.19 7rnt s ASN 43 Cb -0.14 -2.12 -0.14 0.00 -0.02 0.00 0.00 41.25 38.83 7rnt s ASN 43 CO -0.05 -0.05 3.27 -3.20 -2.57 0.00 0.00 177.10 174.51 7rnt n ASN 44 N 5.05 6.01 0.28 -1.22 5.15 -1.26 -4.60 115.26 124.67 7rnt n ASN 44 Ca -0.14 -2.73 0.15 0.00 -0.60 0.00 0.00 54.58 51.26 7rnt n ASN 44 Cb 0.52 -1.37 0.79 0.00 -0.53 0.00 0.00 39.78 39.18 7rnt n ASN 44 CO 0.00 0.00 0.00 4.11 1.40 0.00 0.00 177.26 182.77 7rnt h TRP 45 N 3.23 0.00 0.00 1.20 5.08 -2.00 -1.83 115.95 121.63 7rnt h TRP 45 Ca 0.33 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.30 7rnt h TRP 45 Cb 1.13 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.29 7rnt h TRP 45 CO 1.70 0.09 0.00 0.39 -1.28 0.00 0.00 178.44 179.33 7rnt n GLU 46 N -3.51 0.18 -2.63 0.12 1.02 -1.26 -4.93 120.64 109.62 7rnt n GLU 46 Ca -0.02 0.26 -0.08 0.00 -0.02 0.00 0.00 57.16 57.30 7rnt n GLU 46 Cb 0.22 -1.76 0.02 0.00 -0.02 0.00 0.00 31.44 29.90 7rnt n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 7rnt n GLY 47 N 0.78 0.33 3.75 0.62 0.00 -0.69 -5.01 105.19 104.97 7rnt n GLY 47 Ca 0.04 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 7rnt n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 7rnt s PHE 48 N -2.86 2.27 -1.42 1.61 0.08 -1.26 -4.85 117.98 111.56 7rnt s PHE 48 Ca 0.13 1.49 -0.15 0.00 0.12 0.00 0.00 56.93 58.52 7rnt s PHE 48 Cb -0.06 -3.59 0.05 0.00 -0.57 0.00 0.00 43.02 38.85 7rnt s PHE 48 CO 0.16 -2.53 2.09 -3.47 -0.10 0.00 0.00 175.22 171.38 7rnt n ASP 49 N -1.63 4.17 -4.72 1.36 2.03 -1.26 -4.93 116.55 111.57 7rnt n ASP 49 Ca 0.14 -2.86 -0.39 0.00 0.52 0.00 0.00 54.79 52.20 7rnt n ASP 49 Cb 0.49 -1.68 -0.05 0.00 -0.72 0.00 0.00 41.12 39.15 7rnt n ASP 49 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 7rnt s PHE 50 N 3.44 3.56 -2.33 -0.67 0.08 -1.26 -4.93 117.98 115.86 7rnt s PHE 50 Ca 0.49 1.12 0.22 0.00 0.12 0.00 0.00 56.93 58.88 7rnt s PHE 50 Cb 0.11 -2.71 0.78 0.00 -0.57 0.00 0.00 43.02 40.63 7rnt s PHE 50 CO -0.04 0.12 1.57 -1.13 -0.10 0.00 0.00 175.22 175.64 7rnt n SER 51 N 3.72 1.73 -4.55 1.36 3.41 -1.26 -4.86 113.62 113.17 7rnt n SER 51 Ca -0.03 -1.69 -0.30 0.00 -0.26 0.00 0.00 58.87 56.58 7rnt n SER 51 Cb 0.51 -0.09 -0.11 0.00 -0.26 0.00 0.00 64.21 64.26 7rnt n SER 51 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 7rnt s VAL 52 N -1.81 3.27 0.56 -3.33 1.01 -1.26 -5.13 120.40 113.71 7rnt s VAL 52 Ca 0.33 -1.16 -0.12 0.00 0.00 0.00 0.00 61.98 61.03 7rnt s VAL 52 Cb 0.18 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 7rnt s VAL 52 CO 0.28 0.22 0.98 -0.94 0.00 0.00 0.00 175.10 175.64 7rnt s SER 53 N -1.86 6.38 0.89 3.32 1.04 -1.26 -5.04 113.70 117.17 7rnt s SER 53 Ca 0.19 1.42 -0.13 0.00 0.48 0.00 0.00 55.95 57.90 7rnt s SER 53 Cb -0.11 -2.46 0.15 0.00 0.10 0.00 0.00 66.02 63.71 7rnt s SER 53 CO 0.10 -0.73 1.25 -0.94 0.98 0.00 0.00 173.24 173.90 7rnt s SER 54 N -3.74 3.68 0.81 7.02 1.04 -1.26 -4.63 113.70 116.63 7rnt s SER 54 Ca 0.56 0.39 -0.11 0.00 0.48 0.00 0.00 55.95 57.27 7rnt s SER 54 Cb -0.11 -0.62 0.08 0.00 0.10 0.00 0.00 66.02 65.48 7rnt s SER 54 CO 0.44 -2.38 1.12 -2.84 0.98 0.00 0.00 173.24 170.56 7rnt s PRO 55 N -5.72 1.83 0.15 4.02 0.02 -1.26 -4.81 135.00 129.23 7rnt s PRO 55 Ca 0.69 1.37 0.10 0.00 0.02 0.00 0.00 61.00 63.18 7rnt s PRO 55 Cb -0.06 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.58 7rnt s PRO 55 CO 0.51 -1.99 -0.20 0.71 -0.33 0.00 0.00 177.00 175.70 7rnt s TYR 56 N -2.70 2.46 0.03 6.54 2.02 -1.26 -2.67 117.35 121.77 7rnt s TYR 56 Ca 0.65 -0.30 0.04 0.00 -0.37 0.00 0.00 57.07 57.08 7rnt s TYR 56 Cb -0.20 -1.27 -0.02 0.00 -0.40 0.00 0.00 41.96 40.07 7rnt s TYR 56 CO 0.55 0.42 -0.11 0.71 -1.57 0.00 0.00 175.55 175.55 7rnt s TYR 57 N -1.34 0.94 -0.01 2.71 1.51 0.10 -1.17 117.35 120.09 7rnt s TYR 57 Ca 0.19 -0.34 0.04 0.00 -1.01 0.00 0.00 57.07 55.95 7rnt s TYR 57 Cb -0.10 -0.56 -0.03 0.00 -0.11 0.00 0.00 41.96 41.16 7rnt s TYR 57 CO 0.10 -0.00 -0.11 -1.83 -1.11 0.00 0.00 175.55 172.60 7rnt s GLU 58 N -1.03 2.47 -0.03 -0.62 -1.05 0.21 -1.43 118.70 117.22 7rnt s GLU 58 Ca -0.01 -0.74 -0.02 0.00 -0.15 0.00 0.00 54.97 54.05 7rnt s GLU 58 Cb -0.07 -2.42 0.02 0.00 -0.44 0.00 0.00 34.13 31.21 7rnt s GLU 58 CO 0.01 0.60 0.08 -0.46 0.95 0.00 0.00 175.26 176.44 7rnt s TRP 59 N -0.89 -0.08 0.31 4.83 -0.11 -0.67 -2.51 118.94 119.83 7rnt s TRP 59 Ca 0.14 0.23 -0.29 0.00 1.22 0.00 0.00 56.10 57.41 7rnt s TRP 59 Cb -0.11 -0.04 -0.10 0.00 -1.50 0.00 0.00 33.47 31.72 7rnt s TRP 59 CO 0.04 -0.07 1.36 -2.14 -4.62 0.00 0.00 176.95 171.53 7rnt s PRO 60 N 0.43 4.30 -0.17 5.86 0.02 -1.26 -0.82 135.00 143.36 7rnt s PRO 60 Ca -0.03 2.28 -0.01 0.00 0.02 0.00 0.00 61.00 63.26 7rnt s PRO 60 Cb -0.05 -3.07 -0.00 0.00 0.02 0.00 0.00 34.50 31.40 7rnt s PRO 60 CO -0.02 -0.29 -0.13 -1.50 -0.33 0.00 0.00 177.00 174.73 7rnt s ILE 61 N -0.80 2.76 -0.06 2.83 2.07 -0.90 -4.49 121.20 122.61 7rnt s ILE 61 Ca 0.52 -0.72 -0.14 0.00 -1.41 0.00 0.00 60.65 58.90 7rnt s ILE 61 Cb -0.41 -2.19 -0.05 0.00 0.13 0.00 0.00 42.46 39.94 7rnt s ILE 61 CO 0.51 0.50 0.37 -0.76 -1.91 0.00 0.00 174.94 173.65 7rnt s LEU 62 N 1.03 4.40 0.45 8.50 1.43 -1.26 -4.38 118.68 128.85 7rnt s LEU 62 Ca -0.01 0.81 0.19 0.00 -1.03 0.00 0.00 54.13 54.09 7rnt s LEU 62 Cb -0.15 -2.51 1.15 0.00 0.03 0.00 0.00 46.19 44.71 7rnt s LEU 62 CO -0.03 0.25 1.93 0.77 0.23 0.00 0.00 176.35 179.50 7rnt h SER 63 N 5.37 0.29 0.71 2.29 4.64 -1.95 -1.42 113.55 123.47 7rnt h SER 63 Ca -0.49 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 60.85 7rnt h SER 63 Cb 1.21 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 7rnt h SER 63 CO 0.66 0.15 -0.00 0.77 -0.87 0.00 0.00 176.83 177.53 7rnt h SER 64 N 0.30 0.00 0.00 4.97 4.64 -1.97 -3.46 113.55 118.03 7rnt h SER 64 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 7rnt h SER 64 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 7rnt h SER 64 CO -0.09 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.48 7rnt n GLY 65 N -0.30 0.89 3.85 -0.77 0.00 -0.54 -5.05 105.19 103.27 7rnt n GLY 65 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 7rnt n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 7rnt s ASP 66 N -2.20 6.53 0.08 1.61 1.01 -1.26 -4.98 116.67 117.46 7rnt s ASP 66 Ca 0.00 1.52 -0.26 0.00 0.71 0.00 0.00 52.55 54.53 7rnt s ASP 66 Cb 0.00 -2.49 -0.06 0.00 1.01 0.00 0.00 42.92 41.38 7rnt s ASP 66 CO 0.00 -0.64 0.79 -0.69 0.21 0.00 0.00 175.17 174.84 7rnt s VAL 67 N -2.74 4.62 0.09 -1.27 1.01 -1.26 -4.14 120.40 116.71 7rnt s VAL 67 Ca 0.58 1.70 -0.33 0.00 0.00 0.00 0.00 61.98 63.93 7rnt s VAL 67 Cb -0.10 -4.14 -0.12 0.00 0.00 0.00 0.00 36.38 32.02 7rnt s VAL 67 CO 0.36 0.40 1.77 0.00 0.00 0.00 0.00 175.10 177.63 7rnt n TYR 68 N 2.52 2.46 -1.81 5.22 9.36 -1.26 -4.89 117.16 128.76 7rnt n TYR 68 Ca -0.03 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.24 7rnt n TYR 68 Cb 0.50 -2.66 0.07 0.00 -0.63 0.00 0.00 39.34 36.62 7rnt n TYR 68 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 7rnt n SER 69 N 5.23 1.09 0.00 2.98 3.41 -1.26 -5.07 113.62 120.00 7rnt n SER 69 Ca 0.19 -2.58 0.00 0.00 -0.26 0.00 0.00 58.87 56.22 7rnt n SER 69 Cb 0.33 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 7rnt n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 7rnt n GLY 70 N -0.43 -0.45 5.55 5.00 0.00 -1.26 -4.80 105.19 108.80 7rnt n GLY 70 Ca 0.08 -2.26 0.01 0.00 0.00 0.00 0.00 46.02 43.85 7rnt n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 7rnt n GLY 71 N -0.36 -2.02 3.71 -0.02 0.00 -1.26 -4.75 105.19 100.49 7rnt n GLY 71 Ca 0.00 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 7rnt n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 7rnt s SER 72 N -3.71 6.59 0.00 1.61 0.15 -1.26 -4.82 113.70 112.26 7rnt s SER 72 Ca 0.00 2.58 0.28 0.00 0.70 0.00 0.00 55.95 59.51 7rnt s SER 72 Cb 0.00 -2.59 0.99 0.00 -1.71 0.00 0.00 66.02 62.72 7rnt s SER 72 CO 0.00 -0.84 1.73 -0.81 1.20 0.00 0.00 173.24 174.53 7rnt n PRO 73 N 4.35 0.29 0.00 5.44 -0.04 -1.26 -5.03 135.00 138.75 7rnt n PRO 73 Ca 0.14 -0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 7rnt n PRO 73 Cb 0.39 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 7rnt n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 7rnt n GLY 74 N 1.41 -0.60 0.19 0.55 0.00 -1.26 -4.37 105.19 101.11 7rnt n GLY 74 Ca 0.10 -1.10 0.06 0.00 0.00 0.00 0.00 46.02 45.08 7rnt n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 7rnt n ALA 75 N 1.40 3.21 -2.81 4.61 0.00 -1.26 -5.01 120.51 120.66 7rnt n ALA 75 Ca 0.00 -0.44 -0.35 0.00 0.00 0.00 0.00 53.44 52.65 7rnt n ALA 75 Cb 0.00 -0.45 -0.05 0.00 0.00 0.00 0.00 19.45 18.94 7rnt n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 7rnt s ASP 76 N -1.81 6.46 0.01 0.00 1.01 -1.26 -1.60 116.67 119.48 7rnt s ASP 76 Ca 0.09 0.52 -0.01 0.00 0.71 0.00 0.00 52.55 53.85 7rnt s ASP 76 Cb 0.10 -2.08 -0.01 0.00 1.01 0.00 0.00 42.92 41.94 7rnt s ASP 76 CO 0.39 0.30 0.00 -0.13 0.21 0.00 0.00 175.17 175.94 7rnt s ARG 77 N -1.56 0.26 -0.09 8.23 1.81 0.10 -2.13 118.95 125.57 7rnt s ARG 77 Ca 0.24 -0.42 -0.05 0.00 -1.72 0.00 0.00 55.73 53.78 7rnt s ARG 77 Cb -0.13 0.10 -0.04 0.00 -0.45 0.00 0.00 34.95 34.43 7rnt s ARG 77 CO 0.13 -0.05 0.10 0.14 -0.68 0.00 0.00 175.30 174.94 7rnt s VAL 78 N -1.08 5.07 -0.16 3.52 -7.23 0.00 -0.42 120.40 120.11 7rnt s VAL 78 Ca -0.12 -0.01 0.01 0.00 -1.81 0.00 0.00 61.98 60.05 7rnt s VAL 78 Cb -0.07 -3.21 0.00 0.00 0.56 0.00 0.00 36.38 33.66 7rnt s VAL 78 CO -0.00 0.57 -0.16 -0.69 -0.31 0.00 0.00 175.10 174.51 7rnt s VAL 79 N -1.02 2.53 0.16 1.32 1.01 0.17 -1.67 120.40 122.90 7rnt s VAL 79 Ca 0.16 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.39 7rnt s VAL 79 Cb -0.12 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 7rnt s VAL 79 CO 0.05 0.52 -0.13 0.72 0.00 0.00 0.00 175.10 176.26 7rnt s PHE 80 N 0.87 1.48 0.45 5.22 -0.12 -0.52 0.61 117.98 125.97 7rnt s PHE 80 Ca -0.05 -0.62 0.07 0.00 -0.05 0.00 0.00 56.93 56.29 7rnt s PHE 80 Cb -0.15 -0.73 0.07 0.00 -0.63 0.00 0.00 43.02 41.57 7rnt s PHE 80 CO -0.01 0.20 0.58 0.27 -0.05 0.00 0.00 175.22 176.21 7rnt n ASN 81 N 0.03 1.80 0.11 1.98 0.23 -0.59 0.01 115.26 118.83 7rnt n ASN 81 Ca -0.12 -2.27 0.17 0.00 -0.53 0.00 0.00 54.58 51.84 7rnt n ASN 81 Cb 0.59 -0.28 0.72 0.00 -2.08 0.00 0.00 39.78 38.73 7rnt n ASN 81 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 7rnt h GLU 82 N 0.00 0.00 -0.64 -3.83 4.57 -1.77 -1.25 114.58 111.66 7rnt h GLU 82 Ca -0.23 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 7rnt h GLU 82 Cb 0.99 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.58 7rnt h GLU 82 CO 0.33 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 178.25 7rnt n ASN 83 N -4.23 5.10 -3.38 1.04 4.13 -1.26 -4.92 115.26 111.75 7rnt n ASN 83 Ca 0.05 -2.80 -0.24 0.00 1.68 0.00 0.00 54.58 53.27 7rnt n ASN 83 Cb 0.43 -0.66 0.05 0.00 -1.54 0.00 0.00 39.78 38.06 7rnt n ASN 83 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 7rnt n ASN 84 N 0.54 -6.07 -4.80 6.41 4.05 -0.47 -4.99 115.26 109.94 7rnt n ASN 84 Ca 0.24 -0.45 -0.36 0.00 0.45 0.00 0.00 54.58 54.46 7rnt n ASN 84 Cb 1.07 -4.84 -0.07 0.00 1.23 0.00 0.00 39.78 37.17 7rnt n ASN 84 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 7rnt s GLN 85 N -6.08 3.36 -0.13 1.20 -0.21 -1.26 -4.90 119.66 111.65 7rnt s GLN 85 Ca 0.47 -0.23 -0.29 0.00 0.02 0.00 0.00 55.36 55.32 7rnt s GLN 85 Cb -0.21 -3.08 -0.02 0.00 1.00 0.00 0.00 33.01 30.70 7rnt s GLN 85 CO 0.58 0.70 1.29 -1.17 -2.12 0.00 0.00 175.29 174.57 7rnt s LEU 86 N -0.83 4.22 -0.13 2.90 2.96 -1.26 -1.55 118.68 124.98 7rnt s LEU 86 Ca 0.13 1.78 -0.13 0.00 -0.22 0.00 0.00 54.13 55.69 7rnt s LEU 86 Cb -0.12 -3.54 -0.25 0.00 0.50 0.00 0.00 46.19 42.78 7rnt s LEU 86 CO 0.03 -0.74 0.40 0.00 -1.32 0.00 0.00 176.35 174.72 7rnt h ALA 87 N 8.13 0.30 0.00 5.97 0.00 -0.17 -3.46 119.26 130.03 7rnt h ALA 87 Ca -0.29 -1.24 0.00 0.00 0.00 0.00 0.00 54.91 53.37 7rnt h ALA 87 Cb 1.12 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.55 7rnt h ALA 87 CO 0.95 1.00 0.00 0.41 0.00 0.00 0.00 179.25 181.60 7rnt n GLY 88 N 1.77 -0.82 3.18 0.00 0.00 -0.96 -4.66 105.19 103.69 7rnt n GLY 88 Ca -0.30 -1.18 -0.32 0.00 0.00 0.00 0.00 46.02 44.22 7rnt n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 7rnt s VAL 89 N -2.00 2.05 0.25 1.61 1.01 -1.26 0.41 120.40 122.47 7rnt s VAL 89 Ca 0.00 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.02 7rnt s VAL 89 Cb 0.00 -1.81 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 7rnt s VAL 89 CO 0.00 0.55 0.05 0.27 0.00 0.00 0.00 175.10 175.97 7rnt s ILE 90 N 0.74 0.77 0.02 2.22 -4.36 0.44 -1.02 121.20 120.00 7rnt s ILE 90 Ca -0.09 -2.00 -0.15 0.00 -0.26 0.00 0.00 60.65 58.15 7rnt s ILE 90 Cb -0.16 -2.50 0.02 0.00 1.25 0.00 0.00 42.46 41.07 7rnt s ILE 90 CO -0.00 -0.16 0.32 0.28 0.24 0.00 0.00 174.94 175.62 7rnt s THR 91 N -3.60 0.07 -0.45 8.37 -1.32 0.45 -0.72 115.64 118.43 7rnt s THR 91 Ca 0.33 -0.56 0.23 0.00 -1.21 0.00 0.00 61.69 60.49 7rnt s THR 91 Cb 0.07 -0.80 0.26 0.00 -1.51 0.00 0.00 72.50 70.52 7rnt s THR 91 CO 0.11 -0.31 1.52 0.45 -2.21 0.00 0.00 174.62 174.18 7rnt h HIS 92 N 3.49 0.00 -2.73 9.09 3.86 -1.48 0.19 115.15 127.57 7rnt h HIS 92 Ca -0.31 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.37 7rnt h HIS 92 Cb 1.19 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.69 7rnt h HIS 92 CO 0.48 0.00 0.96 0.99 0.86 0.00 0.00 177.93 181.22 7rnt s THR 93 N -3.22 2.89 -0.02 2.45 2.01 -1.26 -1.98 115.64 116.52 7rnt s THR 93 Ca 0.06 0.47 0.00 0.00 0.31 0.00 0.00 61.69 62.53 7rnt s THR 93 Cb 0.07 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 69.28 7rnt s THR 93 CO 0.68 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.24 7rnt n GLY 94 N 3.91 0.46 3.25 4.40 0.00 -1.26 -4.74 105.19 111.22 7rnt n GLY 94 Ca 0.15 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 7rnt n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 7rnt s ALA 95 N -1.99 1.72 0.44 4.61 0.00 -0.84 -4.95 121.76 120.76 7rnt s ALA 95 Ca 0.00 -1.10 -0.23 0.00 0.00 0.00 0.00 51.96 50.63 7rnt s ALA 95 Cb 0.00 -0.30 -0.08 0.00 0.00 0.00 0.00 23.12 22.75 7rnt s ALA 95 CO 0.00 0.37 1.15 -1.54 0.00 0.00 0.00 175.76 175.74 7rnt s SER 96 N -1.41 6.31 0.88 0.00 1.04 -1.26 -4.73 113.70 114.54 7rnt s SER 96 Ca 0.07 2.28 0.00 0.00 0.48 0.00 0.00 55.95 58.77 7rnt s SER 96 Cb -0.09 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.43 7rnt s SER 96 CO 0.02 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.04 7rnt n GLY 97 N 0.46 3.07 1.69 7.32 0.00 -1.26 -0.93 105.19 115.54 7rnt n GLY 97 Ca 0.06 0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.29 7rnt n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 7rnt n ASN 98 N 3.96 5.15 -3.48 1.61 3.02 -1.26 -4.95 115.26 119.30 7rnt n ASN 98 Ca 0.00 -2.67 -0.25 0.00 -0.03 0.00 0.00 54.58 51.64 7rnt n ASN 98 Cb 0.00 -0.62 0.19 0.00 -0.61 0.00 0.00 39.78 38.74 7rnt n ASN 98 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 7rnt n ASN 99 N 0.86 -0.82 -4.11 6.41 3.02 -0.11 -5.00 115.26 115.51 7rnt n ASN 99 Ca 0.27 -1.24 -0.08 0.00 -0.03 0.00 0.00 54.58 53.49 7rnt n ASN 99 Cb 1.02 -0.84 -0.10 0.00 -0.61 0.00 0.00 39.78 39.25 7rnt n ASN 99 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 7rnt s PHE 100 N -3.06 0.63 0.06 3.10 0.08 -1.26 -4.26 117.98 113.27 7rnt s PHE 100 Ca 0.61 -1.00 0.01 0.00 0.12 0.00 0.00 56.93 56.66 7rnt s PHE 100 Cb -0.03 -0.42 -0.03 0.00 -0.57 0.00 0.00 43.02 41.96 7rnt s PHE 100 CO 0.44 -0.30 -0.05 0.14 -0.10 0.00 0.00 175.22 175.35 7rnt s VAL 101 N -3.75 0.42 0.38 -0.44 -7.23 0.67 -4.93 120.40 105.52 7rnt s VAL 101 Ca 0.08 -1.51 -0.20 0.00 -1.81 0.00 0.00 61.98 58.54 7rnt s VAL 101 Cb 0.07 -1.12 -0.10 0.00 0.56 0.00 0.00 36.38 35.79 7rnt s VAL 101 CO -0.08 -0.72 0.88 -1.61 -0.31 0.00 0.00 175.10 173.26 7rnt s GLU 102 N -2.88 4.20 0.35 4.82 2.02 -1.26 -0.41 118.70 125.53 7rnt s GLU 102 Ca 0.00 1.00 -0.25 0.00 0.02 0.00 0.00 54.97 55.74 7rnt s GLU 102 Cb -0.00 -2.34 -0.10 0.00 0.10 0.00 0.00 34.13 31.79 7rnt s GLU 102 CO -0.04 0.07 0.95 0.00 0.02 0.00 0.00 175.26 176.26