#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3rnt h ASP 3 N 5.78 0.00 -3.70 0.00 3.32 -1.43 -3.45 116.42 116.95 3rnt h ASP 3 Ca -0.47 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.36 3rnt h ASP 3 Cb 1.19 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.46 3rnt h ASP 3 CO 0.65 0.84 -0.63 -0.31 -1.72 0.00 0.00 179.24 178.06 3rnt s TYR 4 N -2.98 -0.09 -0.07 4.55 2.02 -0.89 -4.96 117.35 114.92 3rnt s TYR 4 Ca 0.01 0.24 0.01 0.00 -0.37 0.00 0.00 57.07 56.96 3rnt s TYR 4 Cb 0.10 -0.01 0.02 0.00 -0.40 0.00 0.00 41.96 41.68 3rnt s TYR 4 CO 0.79 -0.06 -0.09 0.95 -1.57 0.00 0.00 175.55 175.57 3rnt s THR 5 N 0.27 0.94 -0.36 -0.71 -4.23 -1.26 -0.62 115.64 109.66 3rnt s THR 5 Ca -0.02 -0.32 -0.01 0.00 -1.18 0.00 0.00 61.69 60.16 3rnt s THR 5 Cb -0.03 -0.91 0.09 0.00 1.34 0.00 0.00 72.50 72.99 3rnt s THR 5 CO -0.01 0.32 0.11 0.00 -0.54 0.00 0.00 174.62 174.50 3rnt n GLY 7 N 4.51 3.15 0.16 0.00 0.00 -1.26 -0.68 105.19 111.08 3rnt n GLY 7 Ca -0.04 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 45.91 3rnt n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3rnt n SER 8 N 8.49 1.17 -4.72 1.61 7.64 -1.26 -4.95 113.62 121.60 3rnt n SER 8 Ca 0.00 -0.97 -0.41 0.00 1.01 0.00 0.00 58.87 58.50 3rnt n SER 8 Cb 0.00 0.59 -0.04 0.00 -1.01 0.00 0.00 64.21 63.75 3rnt n SER 8 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3rnt s ASN 9 N -2.79 7.16 -0.15 6.43 0.01 0.14 -5.06 114.94 120.67 3rnt s ASN 9 Ca 0.14 1.40 -0.04 0.00 -0.71 0.00 0.00 52.86 53.65 3rnt s ASN 9 Cb 0.17 -2.48 -0.03 0.00 0.41 0.00 0.00 41.25 39.32 3rnt s ASN 9 CO 0.71 -0.17 -0.03 0.00 -1.51 0.00 0.00 177.10 176.10 3rnt s TYR 11 N 0.28 1.99 0.52 0.00 1.51 0.20 -5.02 117.35 116.83 3rnt s TYR 11 Ca -0.03 -0.38 0.03 0.00 -1.01 0.00 0.00 57.07 55.68 3rnt s TYR 11 Cb -0.14 -1.25 0.03 0.00 -0.11 0.00 0.00 41.96 40.49 3rnt s TYR 11 CO 0.03 0.01 0.73 -1.54 -1.11 0.00 0.00 175.55 173.67 3rnt s SER 12 N -0.74 5.36 0.20 2.29 1.04 -1.26 -1.04 113.70 119.55 3rnt s SER 12 Ca 0.09 -0.11 -0.11 0.00 0.48 0.00 0.00 55.95 56.30 3rnt s SER 12 Cb -0.09 -0.82 0.13 0.00 0.10 0.00 0.00 66.02 65.34 3rnt s SER 12 CO 0.00 -1.06 1.81 0.28 0.98 0.00 0.00 173.24 175.26 3rnt h SER 13 N 0.20 0.88 -0.46 7.02 0.02 -1.97 -0.70 113.55 118.55 3rnt h SER 13 Ca -0.42 -0.09 0.03 0.00 -0.84 0.00 0.00 61.79 60.47 3rnt h SER 13 Cb 1.29 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.58 3rnt h SER 13 CO 0.50 0.72 0.30 0.77 -1.14 0.00 0.00 176.83 177.99 3rnt h SER 14 N 0.97 0.42 -0.51 3.07 4.64 -1.99 -0.51 113.55 119.65 3rnt h SER 14 Ca 0.25 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.52 3rnt h SER 14 Cb 0.04 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 3rnt h SER 14 CO -0.04 0.29 0.13 0.44 -0.87 0.00 0.00 176.83 176.78 3rnt h ASP 15 N 0.49 0.76 -0.12 4.97 3.32 -1.52 -1.50 116.42 122.82 3rnt h ASP 15 Ca 0.19 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 3rnt h ASP 15 Cb 0.13 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 3rnt h ASP 15 CO -0.05 0.79 -0.03 0.58 -1.72 0.00 0.00 179.24 178.82 3rnt h VAL 16 N 0.70 1.29 -0.34 -1.35 2.07 -0.93 -2.56 116.25 115.12 3rnt h VAL 16 Ca 0.16 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 66.75 3rnt h VAL 16 Cb 0.32 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 3rnt h VAL 16 CO 0.00 0.27 0.17 0.28 0.02 0.00 0.00 177.57 178.32 3rnt h SER 17 N -0.08 0.26 0.31 0.57 0.02 -1.03 0.24 113.55 113.84 3rnt h SER 17 Ca 0.03 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 3rnt h SER 17 Cb 0.44 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.95 3rnt h SER 17 CO 0.01 0.19 -0.15 0.74 -1.14 0.00 0.00 176.83 176.48 3rnt h THR 18 N 0.35 0.69 -0.19 -2.27 2.02 -1.24 -2.16 112.91 110.12 3rnt h THR 18 Ca 0.14 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.32 3rnt h THR 18 Cb 0.04 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 3rnt h THR 18 CO -0.09 0.00 0.10 0.00 0.37 0.00 0.00 175.52 175.90 3rnt h ALA 19 N 0.27 0.24 -0.82 6.16 0.00 -1.37 -2.68 119.26 121.06 3rnt h ALA 19 Ca -0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3rnt h ALA 19 Cb 0.32 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3rnt h ALA 19 CO 0.07 -0.23 0.47 0.37 0.00 0.00 0.00 179.25 179.93 3rnt h GLN 20 N 0.20 1.12 -0.74 0.00 4.15 -0.82 -0.80 115.11 118.23 3rnt h GLN 20 Ca 0.07 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 3rnt h GLN 20 Cb 0.06 -0.23 -0.04 0.00 0.21 0.00 0.00 27.48 27.49 3rnt h GLN 20 CO -0.01 0.81 0.44 0.00 -1.93 0.00 0.00 178.83 178.13 3rnt h ALA 21 N 1.38 0.95 -0.32 3.38 0.00 -1.20 0.14 119.26 123.59 3rnt h ALA 21 Ca 0.29 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 3rnt h ALA 21 Cb -0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3rnt h ALA 21 CO -0.05 0.43 -0.23 0.00 0.00 0.00 0.00 179.25 179.40 3rnt h ALA 22 N 1.23 0.46 -0.59 0.00 0.00 -1.16 -1.94 119.26 117.26 3rnt h ALA 22 Ca 0.26 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3rnt h ALA 22 Cb -0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3rnt h ALA 22 CO -0.05 0.43 0.26 0.78 0.00 0.00 0.00 179.25 180.67 3rnt h GLY 23 N 0.48 0.93 0.97 0.00 0.00 -0.73 -2.79 103.07 101.93 3rnt h GLY 23 Ca 0.06 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 3rnt h GLY 23 CO 0.06 0.45 0.24 -1.82 0.00 0.00 0.00 176.54 175.48 3rnt h TYR 24 N 0.81 0.68 -0.69 5.60 5.03 -0.75 -1.37 116.97 126.28 3rnt h TYR 24 Ca 0.20 -0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.44 3rnt h TYR 24 Cb 0.16 -0.21 -0.03 0.00 1.55 0.00 0.00 36.73 38.19 3rnt h TYR 24 CO 0.00 0.53 0.27 -0.22 -1.32 0.00 0.00 178.16 177.43 3rnt h LYS 25 N 0.63 1.02 -0.34 1.82 3.11 -1.26 -0.48 116.57 121.08 3rnt h LYS 25 Ca 0.17 -0.17 -0.11 0.00 -2.81 0.00 0.00 60.65 57.72 3rnt h LYS 25 Cb 0.09 -0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 31.14 3rnt h LYS 25 CO -0.02 0.83 -0.26 -0.07 -2.81 0.00 0.00 179.45 177.12 3rnt h LEU 26 N 1.00 0.70 -0.72 5.20 4.07 -1.19 -1.76 115.31 122.61 3rnt h LEU 26 Ca 0.23 -0.26 -0.06 0.00 0.08 0.00 0.00 57.88 57.88 3rnt h LEU 26 Cb 0.20 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 41.71 3rnt h LEU 26 CO -0.02 0.93 0.22 -0.74 -1.08 0.00 0.00 178.44 177.75 3rnt h HIS 27 N 0.59 1.17 -0.20 1.13 2.76 -0.58 -0.09 115.15 119.93 3rnt h HIS 27 Ca 0.08 -0.12 -0.11 0.00 -2.20 0.00 0.00 60.37 58.02 3rnt h HIS 27 Cb 0.75 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 29.36 3rnt h HIS 27 CO 0.03 0.93 -0.33 0.93 -1.30 0.00 0.00 177.93 178.20 3rnt h GLU 28 N 1.07 0.42 -0.00 5.26 5.08 -0.85 -3.00 114.58 122.56 3rnt h GLU 28 Ca 0.23 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3rnt h GLU 28 Cb 0.32 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3rnt h GLU 28 CO -0.01 0.70 -0.02 -0.25 -1.00 0.00 0.00 179.01 178.44 3rnt n ASP 29 N -4.07 0.07 -3.06 1.42 8.00 -0.68 -4.91 116.55 113.31 3rnt n ASP 29 Ca -0.01 -0.17 -0.19 0.00 0.71 0.00 0.00 54.79 55.13 3rnt n ASP 29 Cb 0.45 -0.26 0.07 0.00 -0.02 0.00 0.00 41.12 41.36 3rnt n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3rnt n GLY 30 N 1.30 -0.28 3.39 0.44 0.00 -0.56 -5.00 105.19 104.48 3rnt n GLY 30 Ca 0.14 0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 3rnt n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3rnt s GLU 31 N -5.88 1.42 0.07 1.61 0.41 -0.15 -5.05 118.70 111.12 3rnt s GLU 31 Ca 0.38 -1.45 0.00 0.00 -0.41 0.00 0.00 54.97 53.49 3rnt s GLU 31 Cb -0.17 -1.71 -0.04 0.00 -1.78 0.00 0.00 34.13 30.43 3rnt s GLU 31 CO 0.60 0.37 -0.04 0.95 -0.49 0.00 0.00 175.26 176.65 3rnt s THR 32 N -1.63 0.40 0.02 3.63 -4.23 -1.26 -4.28 115.64 108.29 3rnt s THR 32 Ca 0.18 -1.79 -0.00 0.00 -1.18 0.00 0.00 61.69 58.89 3rnt s THR 32 Cb -0.08 -1.49 -0.02 0.00 1.34 0.00 0.00 72.50 72.25 3rnt s THR 32 CO 0.08 -0.91 -0.02 0.68 -0.54 0.00 0.00 174.62 173.91 3rnt s VAL 33 N -3.62 0.12 0.00 2.29 -7.23 0.41 -4.89 120.40 107.49 3rnt s VAL 33 Ca 0.07 -1.03 0.00 0.00 -1.81 0.00 0.00 61.98 59.21 3rnt s VAL 33 Cb 0.06 -0.45 0.00 0.00 0.56 0.00 0.00 36.38 36.54 3rnt s VAL 33 CO -0.07 -0.57 0.00 0.61 -0.31 0.00 0.00 175.10 174.76 3rnt n GLY 34 N 1.37 -0.05 0.22 2.32 0.00 -1.26 -1.20 105.19 106.59 3rnt n GLY 34 Ca -0.22 -1.71 0.07 0.00 0.00 0.00 0.00 46.02 44.15 3rnt n GLY 34 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3rnt h SER 35 N 0.00 0.00 -0.52 1.61 0.02 -1.98 -2.32 113.55 110.36 3rnt h SER 35 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3rnt h SER 35 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3rnt h SER 35 CO 0.00 0.26 0.00 0.59 -1.14 0.00 0.00 176.83 176.54 3rnt n ASN 36 N -3.91 3.96 -3.30 3.07 5.03 -1.26 -5.02 115.26 113.83 3rnt n ASN 36 Ca -0.02 -2.38 -0.13 0.00 0.87 0.00 0.00 54.58 52.92 3rnt n ASN 36 Cb 0.34 -0.52 0.01 0.00 -1.02 0.00 0.00 39.78 38.58 3rnt n ASN 36 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 3rnt n SER 37 N 0.83 -6.67 -4.76 6.41 7.64 -0.87 -4.93 113.62 111.27 3rnt n SER 37 Ca 0.21 -0.26 -0.31 0.00 1.01 0.00 0.00 58.87 59.52 3rnt n SER 37 Cb 0.76 -3.81 -0.07 0.00 -1.01 0.00 0.00 64.21 60.08 3rnt n SER 37 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3rnt s TYR 38 N -2.77 3.17 0.67 1.43 2.02 -0.34 -3.91 117.35 117.62 3rnt s TYR 38 Ca 0.08 0.09 -0.11 0.00 -0.37 0.00 0.00 57.07 56.76 3rnt s TYR 38 Cb -0.02 -1.64 -0.01 0.00 -0.40 0.00 0.00 41.96 39.90 3rnt s TYR 38 CO 0.81 0.52 1.06 -1.25 -1.57 0.00 0.00 175.55 175.11 3rnt s PRO 39 N -2.19 3.16 0.13 -1.71 0.04 -1.26 -0.45 135.00 132.72 3rnt s PRO 39 Ca 0.27 0.75 -0.06 0.00 0.04 0.00 0.00 61.00 62.00 3rnt s PRO 39 Cb -0.12 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 3rnt s PRO 39 CO 0.19 -0.88 0.16 -3.38 0.04 0.00 0.00 177.00 173.13 3rnt s HIS 40 N -3.17 0.50 0.60 0.56 -3.43 -1.04 -4.92 115.29 104.38 3rnt s HIS 40 Ca 0.57 -0.91 -0.19 0.00 -0.80 0.00 0.00 55.06 53.74 3rnt s HIS 40 Cb -0.12 -0.22 -0.04 0.00 -1.43 0.00 0.00 32.58 30.76 3rnt s HIS 40 CO 0.54 -0.59 1.02 1.17 -2.00 0.00 0.00 174.74 174.89 3rnt n LYS 41 N -0.11 0.97 -4.94 -0.38 4.81 -1.26 -1.04 118.16 116.21 3rnt n LYS 41 Ca -0.09 0.37 -0.33 0.00 -0.87 0.00 0.00 58.31 57.40 3rnt n LYS 41 Cb 0.63 -2.23 -0.15 0.00 0.02 0.00 0.00 35.03 33.30 3rnt n LYS 41 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 3rnt s TYR 42 N -1.48 2.72 -0.19 5.64 6.14 -0.16 -4.65 117.35 125.37 3rnt s TYR 42 Ca 0.76 -0.76 -0.05 0.00 0.64 0.00 0.00 57.07 57.65 3rnt s TYR 42 Cb -0.42 -1.79 -0.03 0.00 0.42 0.00 0.00 41.96 40.15 3rnt s TYR 42 CO 0.47 -0.27 0.00 -0.80 0.64 0.00 0.00 175.55 175.59 3rnt s ASN 43 N 0.30 4.95 -1.42 4.32 -0.87 -1.26 -4.22 114.94 116.73 3rnt s ASN 43 Ca -0.13 -0.15 -0.09 0.00 -1.57 0.00 0.00 52.86 50.92 3rnt s ASN 43 Cb -0.16 -1.84 -0.09 0.00 -0.02 0.00 0.00 41.25 39.14 3rnt s ASN 43 CO 0.07 0.10 2.98 -3.20 -2.57 0.00 0.00 177.10 174.47 3rnt n ASN 44 N 4.03 8.33 0.21 -1.22 5.15 -1.26 -4.58 115.26 125.93 3rnt n ASN 44 Ca -0.17 -2.62 0.15 0.00 -0.60 0.00 0.00 54.58 51.33 3rnt n ASN 44 Cb 0.52 -1.52 0.56 0.00 -0.53 0.00 0.00 39.78 38.81 3rnt n ASN 44 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 3rnt h TYR 45 N 4.73 0.00 -0.00 1.20 -0.00 -2.00 -2.29 116.97 118.62 3rnt h TYR 45 Ca 0.79 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.52 3rnt h TYR 45 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.14 3rnt h TYR 45 CO 1.85 0.00 -0.10 0.39 -0.00 0.00 0.00 178.16 180.30 3rnt n GLU 46 N -2.75 0.22 -3.02 0.10 -0.58 -1.26 -4.97 120.64 108.39 3rnt n GLU 46 Ca 0.02 -0.04 -0.14 0.00 -0.42 0.00 0.00 57.16 56.57 3rnt n GLU 46 Cb 0.31 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.72 3rnt n GLU 46 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3rnt n GLY 47 N 1.41 0.02 3.77 0.62 0.00 -0.86 -4.99 105.19 105.16 3rnt n GLY 47 Ca 0.10 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 3rnt n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3rnt s PHE 48 N -3.10 3.09 -1.27 1.61 0.08 -1.26 -4.87 117.98 112.25 3rnt s PHE 48 Ca 0.30 1.42 -0.19 0.00 0.12 0.00 0.00 56.93 58.58 3rnt s PHE 48 Cb -0.13 -3.66 0.03 0.00 -0.57 0.00 0.00 43.02 38.69 3rnt s PHE 48 CO 0.37 -1.79 1.81 -3.47 -0.10 0.00 0.00 175.22 172.04 3rnt n ASP 49 N 0.89 4.40 -4.84 1.36 -0.08 -1.26 -4.96 116.55 112.05 3rnt n ASP 49 Ca 0.00 -2.86 -0.37 0.00 -1.51 0.00 0.00 54.79 50.05 3rnt n ASP 49 Cb 0.42 -1.74 -0.06 0.00 2.34 0.00 0.00 41.12 42.08 3rnt n ASP 49 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 3rnt s PHE 50 N 5.92 3.68 -2.36 -0.67 0.08 -1.26 -4.95 117.98 118.43 3rnt s PHE 50 Ca 0.57 0.96 0.27 0.00 0.12 0.00 0.00 56.93 58.85 3rnt s PHE 50 Cb 0.03 -2.27 1.13 0.00 -0.57 0.00 0.00 43.02 41.34 3rnt s PHE 50 CO 0.09 0.59 1.78 -1.13 -0.10 0.00 0.00 175.22 176.45 3rnt n SER 51 N 1.47 1.23 -4.61 1.36 3.41 -1.26 -4.83 113.62 110.39 3rnt n SER 51 Ca -0.11 -1.46 -0.30 0.00 -0.26 0.00 0.00 58.87 56.74 3rnt n SER 51 Cb 0.52 -0.02 -0.09 0.00 -0.26 0.00 0.00 64.21 64.36 3rnt n SER 51 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3rnt s VAL 52 N -1.96 3.58 0.56 -3.33 0.11 -1.26 -5.12 120.40 112.98 3rnt s VAL 52 Ca 0.38 -1.15 -0.06 0.00 -2.93 0.00 0.00 61.98 58.22 3rnt s VAL 52 Cb 0.20 -2.68 -0.00 0.00 -1.53 0.00 0.00 36.38 32.37 3rnt s VAL 52 CO 0.32 0.13 0.87 -0.94 -3.33 0.00 0.00 175.10 172.15 3rnt s SER 53 N -2.18 5.78 0.82 3.54 1.04 -1.26 -5.02 113.70 116.41 3rnt s SER 53 Ca 0.22 0.77 -0.11 0.00 0.48 0.00 0.00 55.95 57.31 3rnt s SER 53 Cb -0.11 -1.85 0.08 0.00 0.10 0.00 0.00 66.02 64.24 3rnt s SER 53 CO 0.15 -0.93 1.09 -0.55 0.98 0.00 0.00 173.24 173.97 3rnt s SER 54 N -4.25 4.16 0.79 7.02 0.15 -1.26 -4.68 113.70 115.63 3rnt s SER 54 Ca 0.52 1.63 -0.11 0.00 0.70 0.00 0.00 55.95 58.69 3rnt s SER 54 Cb -0.10 -2.34 0.06 0.00 -1.71 0.00 0.00 66.02 61.93 3rnt s SER 54 CO 0.45 -2.22 1.09 -2.16 1.20 0.00 0.00 173.24 171.59 3rnt s PRO 55 N -4.95 2.15 0.20 5.44 0.04 -1.26 -4.81 135.00 131.82 3rnt s PRO 55 Ca 0.62 0.85 0.11 0.00 0.04 0.00 0.00 61.00 62.62 3rnt s PRO 55 Cb -0.17 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 3rnt s PRO 55 CO 0.56 -1.63 -0.21 0.71 0.04 0.00 0.00 177.00 176.48 3rnt s TYR 56 N -3.04 2.36 0.01 0.56 2.02 -1.26 -2.89 117.35 115.11 3rnt s TYR 56 Ca 0.61 -0.33 0.03 0.00 -0.37 0.00 0.00 57.07 57.01 3rnt s TYR 56 Cb -0.16 -1.15 -0.01 0.00 -0.40 0.00 0.00 41.96 40.25 3rnt s TYR 56 CO 0.55 0.53 -0.09 0.71 -1.57 0.00 0.00 175.55 175.68 3rnt s TYR 57 N -1.79 0.83 0.01 2.71 2.02 0.15 -0.99 117.35 120.29 3rnt s TYR 57 Ca 0.23 -0.25 0.06 0.00 -0.37 0.00 0.00 57.07 56.74 3rnt s TYR 57 Cb -0.08 -0.52 -0.03 0.00 -0.40 0.00 0.00 41.96 40.94 3rnt s TYR 57 CO 0.11 -0.01 -0.18 -1.83 -1.57 0.00 0.00 175.55 172.08 3rnt s GLU 58 N -0.65 2.22 -0.02 -0.62 -1.05 -0.21 -1.28 118.70 117.09 3rnt s GLU 58 Ca 0.01 -0.88 -0.02 0.00 -0.15 0.00 0.00 54.97 53.92 3rnt s GLU 58 Cb -0.05 -2.24 0.01 0.00 -0.44 0.00 0.00 34.13 31.41 3rnt s GLU 58 CO 0.00 0.57 0.06 -0.46 0.95 0.00 0.00 175.26 176.39 3rnt s TRP 59 N -0.83 -0.07 0.42 4.83 -0.11 -0.66 -2.50 118.94 120.01 3rnt s TRP 59 Ca 0.13 0.17 -0.24 0.00 1.22 0.00 0.00 56.10 57.38 3rnt s TRP 59 Cb -0.10 0.02 -0.08 0.00 -1.50 0.00 0.00 33.47 31.80 3rnt s TRP 59 CO 0.03 -0.04 1.17 -2.14 -4.62 0.00 0.00 176.95 171.36 3rnt s PRO 60 N 0.06 3.96 -0.09 5.86 0.02 -1.26 -1.06 135.00 142.48 3rnt s PRO 60 Ca -0.00 1.83 0.03 0.00 0.02 0.00 0.00 61.00 62.88 3rnt s PRO 60 Cb -0.01 -2.59 -0.01 0.00 0.02 0.00 0.00 34.50 31.91 3rnt s PRO 60 CO -0.00 -0.40 -0.21 -1.50 -0.33 0.00 0.00 177.00 174.56 3rnt s ILE 61 N -1.45 2.39 -0.12 2.83 2.07 -0.88 -4.52 121.20 121.53 3rnt s ILE 61 Ca 0.59 -0.92 -0.06 0.00 -1.41 0.00 0.00 60.65 58.85 3rnt s ILE 61 Cb -0.30 -1.93 -0.04 0.00 0.13 0.00 0.00 42.46 40.32 3rnt s ILE 61 CO 0.38 0.56 0.11 -0.76 -1.91 0.00 0.00 174.94 173.31 3rnt s LEU 62 N 0.14 4.18 0.45 8.50 1.43 -1.26 -4.31 118.68 127.82 3rnt s LEU 62 Ca -0.11 0.37 0.14 0.00 -1.03 0.00 0.00 54.13 53.51 3rnt s LEU 62 Cb -0.16 -2.01 1.07 0.00 0.03 0.00 0.00 46.19 45.12 3rnt s LEU 62 CO 0.06 0.39 2.01 0.77 0.23 0.00 0.00 176.35 179.81 3rnt h SER 63 N 5.14 0.31 0.02 2.29 4.64 -1.96 -0.89 113.55 123.10 3rnt h SER 63 Ca -0.53 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.78 3rnt h SER 63 Cb 1.22 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3rnt h SER 63 CO 0.58 0.19 -0.03 0.77 -0.87 0.00 0.00 176.83 177.47 3rnt h SER 64 N 0.34 0.04 0.00 4.97 4.64 -1.98 -3.46 113.55 118.11 3rnt h SER 64 Ca 0.23 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3rnt h SER 64 Cb 0.44 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3rnt h SER 64 CO -0.05 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 3rnt n GLY 65 N -1.38 0.54 3.83 -0.77 0.00 -0.34 -5.06 105.19 102.02 3rnt n GLY 65 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 3rnt n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3rnt s ASP 66 N -2.96 6.13 0.26 1.61 -0.00 -1.26 -4.99 116.67 115.46 3rnt s ASP 66 Ca 0.00 1.61 -0.27 0.00 -0.00 0.00 0.00 52.55 53.90 3rnt s ASP 66 Cb 0.00 -2.51 -0.09 0.00 -0.00 0.00 0.00 42.92 40.32 3rnt s ASP 66 CO 0.00 -0.93 0.90 -0.69 -0.00 0.00 0.00 175.17 174.45 3rnt s VAL 67 N -2.75 4.22 0.20 -1.27 1.01 -1.26 -4.30 120.40 116.24 3rnt s VAL 67 Ca 0.59 1.85 -0.31 0.00 0.00 0.00 0.00 61.98 64.11 3rnt s VAL 67 Cb -0.12 -4.13 -0.10 0.00 0.00 0.00 0.00 36.38 32.03 3rnt s VAL 67 CO 0.41 0.33 1.52 -0.47 0.00 0.00 0.00 175.10 176.89 3rnt s TYR 68 N -1.39 3.03 0.00 5.22 6.14 -1.26 -4.89 117.35 124.20 3rnt s TYR 68 Ca 0.44 0.78 0.00 0.00 0.64 0.00 0.00 57.07 58.93 3rnt s TYR 68 Cb -0.22 -3.89 0.00 0.00 0.42 0.00 0.00 41.96 38.27 3rnt s TYR 68 CO 0.27 -3.15 0.54 -1.13 0.64 0.00 0.00 175.55 172.72 3rnt n SER 69 N 3.30 0.82 0.00 4.32 3.41 -1.26 -5.08 113.62 119.12 3rnt n SER 69 Ca 0.11 -1.29 0.00 0.00 -0.26 0.00 0.00 58.87 57.43 3rnt n SER 69 Cb 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 3rnt n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3rnt n GLY 70 N -0.14 1.97 5.27 5.00 0.00 -1.26 -4.68 105.19 111.34 3rnt n GLY 70 Ca 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.05 3rnt n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3rnt n GLY 71 N -1.67 -1.82 3.67 -0.02 0.00 -1.26 -4.81 105.19 99.29 3rnt n GLY 71 Ca 0.00 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 3rnt n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3rnt s SER 72 N -4.00 6.57 0.00 1.61 0.15 -1.26 -4.79 113.70 111.99 3rnt s SER 72 Ca 0.00 2.47 0.29 0.00 0.70 0.00 0.00 55.95 59.41 3rnt s SER 72 Cb 0.00 -2.55 1.22 0.00 -1.71 0.00 0.00 66.02 62.98 3rnt s SER 72 CO 0.00 -0.94 1.87 -0.81 1.20 0.00 0.00 173.24 174.56 3rnt n PRO 73 N 6.48 0.35 0.00 5.44 -0.04 -1.26 -5.02 135.00 140.94 3rnt n PRO 73 Ca 0.17 -0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 3rnt n PRO 73 Cb 0.41 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 3rnt n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3rnt n GLY 74 N 1.37 -1.53 0.00 0.55 0.00 -1.26 -4.39 105.19 99.93 3rnt n GLY 74 Ca 0.11 -1.25 0.09 0.00 0.00 0.00 0.00 46.02 44.98 3rnt n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3rnt n ALA 75 N 0.23 4.02 -2.92 4.61 0.00 -1.26 -5.01 120.51 120.18 3rnt n ALA 75 Ca 0.00 -0.52 -0.28 0.00 0.00 0.00 0.00 53.44 52.64 3rnt n ALA 75 Cb 0.00 -0.69 -0.04 0.00 0.00 0.00 0.00 19.45 18.72 3rnt n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3rnt s ASP 76 N -3.22 6.26 0.02 0.00 1.01 -1.26 -1.34 116.67 118.13 3rnt s ASP 76 Ca 0.03 0.18 -0.03 0.00 0.71 0.00 0.00 52.55 53.44 3rnt s ASP 76 Cb 0.14 -1.88 -0.01 0.00 1.01 0.00 0.00 42.92 42.18 3rnt s ASP 76 CO 0.80 0.10 0.03 -0.13 0.21 0.00 0.00 175.17 176.18 3rnt s ARG 77 N -2.96 0.40 -0.06 8.23 1.81 0.15 -2.06 118.95 124.46 3rnt s ARG 77 Ca 0.34 -0.59 -0.08 0.00 -1.72 0.00 0.00 55.73 53.68 3rnt s ARG 77 Cb -0.12 0.15 -0.04 0.00 -0.45 0.00 0.00 34.95 34.49 3rnt s ARG 77 CO 0.28 -0.08 0.22 0.14 -0.68 0.00 0.00 175.30 175.18 3rnt s VAL 78 N -1.66 5.36 -0.13 3.52 -7.23 -0.22 -0.81 120.40 119.24 3rnt s VAL 78 Ca -0.14 0.31 0.02 0.00 -1.81 0.00 0.00 61.98 60.37 3rnt s VAL 78 Cb -0.08 -3.51 0.00 0.00 0.56 0.00 0.00 36.38 33.36 3rnt s VAL 78 CO -0.01 0.54 -0.20 -0.69 -0.31 0.00 0.00 175.10 174.43 3rnt s VAL 79 N -1.11 2.31 0.19 1.32 1.01 -0.50 -1.65 120.40 121.96 3rnt s VAL 79 Ca 0.20 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.28 3rnt s VAL 79 Cb -0.13 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 3rnt s VAL 79 CO 0.09 0.54 0.02 0.72 0.00 0.00 0.00 175.10 176.48 3rnt s PHE 80 N 0.56 1.30 0.41 5.22 -0.71 -0.40 -0.98 117.98 123.38 3rnt s PHE 80 Ca -0.12 -1.05 0.03 0.00 -1.04 0.00 0.00 56.93 54.75 3rnt s PHE 80 Cb -0.17 -0.75 0.03 0.00 -1.21 0.00 0.00 43.02 40.93 3rnt s PHE 80 CO 0.04 -0.23 0.26 0.27 -1.34 0.00 0.00 175.22 174.21 3rnt n ASN 81 N -0.30 2.46 0.10 1.98 6.94 -0.38 -0.67 115.26 125.39 3rnt n ASN 81 Ca -0.05 -2.48 0.18 0.00 -0.02 0.00 0.00 54.58 52.21 3rnt n ASN 81 Cb 0.64 0.02 0.73 0.00 -2.36 0.00 0.00 39.78 38.81 3rnt n ASN 81 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 3rnt h GLU 82 N 0.00 0.00 -0.63 -3.83 4.57 -1.80 0.33 114.58 113.21 3rnt h GLU 82 Ca -0.27 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 3rnt h GLU 82 Cb 0.96 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.55 3rnt h GLU 82 CO 0.43 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 178.35 3rnt n ASN 83 N -4.19 3.23 -3.52 1.04 5.03 -1.26 -4.91 115.26 110.69 3rnt n ASN 83 Ca 0.06 -2.34 -0.25 0.00 0.87 0.00 0.00 54.58 52.92 3rnt n ASN 83 Cb 0.47 -0.49 0.04 0.00 -1.02 0.00 0.00 39.78 38.78 3rnt n ASN 83 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3rnt n ASN 84 N 0.53 -5.56 -4.71 6.41 4.05 0.11 -4.98 115.26 111.11 3rnt n ASN 84 Ca 0.16 -0.53 -0.35 0.00 0.45 0.00 0.00 54.58 54.31 3rnt n ASN 84 Cb 0.64 -4.44 -0.09 0.00 1.23 0.00 0.00 39.78 37.12 3rnt n ASN 84 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 3rnt s GLN 85 N -6.22 3.68 0.01 1.20 -0.21 -1.26 -4.87 119.66 111.99 3rnt s GLN 85 Ca 0.52 -0.30 -0.30 0.00 0.02 0.00 0.00 55.36 55.30 3rnt s GLN 85 Cb -0.24 -3.14 -0.04 0.00 1.00 0.00 0.00 33.01 30.59 3rnt s GLN 85 CO 0.64 0.47 1.09 -1.17 -2.12 0.00 0.00 175.29 174.20 3rnt s LEU 86 N -0.19 4.35 -0.25 2.90 0.20 -1.26 -1.24 118.68 123.18 3rnt s LEU 86 Ca 0.08 1.80 0.03 0.00 0.69 0.00 0.00 54.13 56.73 3rnt s LEU 86 Cb -0.12 -3.57 -0.18 0.00 -0.43 0.00 0.00 46.19 41.89 3rnt s LEU 86 CO 0.01 -0.39 -0.18 0.00 -0.29 0.00 0.00 176.35 175.50 3rnt n ALA 87 N 4.13 1.43 0.00 5.97 0.00 -0.15 -4.85 120.51 127.05 3rnt n ALA 87 Ca 0.08 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.40 3rnt n ALA 87 Cb 0.49 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.81 3rnt n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3rnt n GLY 88 N 2.20 -1.39 2.96 0.00 0.00 -1.15 -4.69 105.19 103.12 3rnt n GLY 88 Ca -0.44 -1.04 -0.26 0.00 0.00 0.00 0.00 46.02 44.28 3rnt n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3rnt s VAL 89 N -2.13 1.07 0.30 1.61 1.01 -1.26 -1.42 120.40 119.58 3rnt s VAL 89 Ca 0.00 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.64 3rnt s VAL 89 Cb 0.00 -1.04 -0.06 0.00 0.00 0.00 0.00 36.38 35.28 3rnt s VAL 89 CO 0.00 0.36 0.07 0.27 0.00 0.00 0.00 175.10 175.80 3rnt s ILE 90 N 1.24 0.97 0.04 2.22 -4.36 0.01 -1.09 121.20 120.23 3rnt s ILE 90 Ca -0.04 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 58.19 3rnt s ILE 90 Cb -0.14 -2.71 0.03 0.00 1.25 0.00 0.00 42.46 40.89 3rnt s ILE 90 CO -0.03 -0.03 0.36 0.28 0.24 0.00 0.00 174.94 175.76 3rnt s THR 91 N -3.45 0.07 -0.73 8.37 -1.32 -0.23 0.31 115.64 118.65 3rnt s THR 91 Ca 0.36 -0.55 0.25 0.00 -1.21 0.00 0.00 61.69 60.54 3rnt s THR 91 Cb 0.08 -0.93 0.15 0.00 -1.51 0.00 0.00 72.50 70.29 3rnt s THR 91 CO 0.14 -0.30 1.54 1.41 -2.21 0.00 0.00 174.62 175.20 3rnt n HIS 92 N 0.58 0.61 -1.67 9.09 8.25 -0.45 -1.44 115.22 130.18 3rnt n HIS 92 Ca -0.19 0.18 -0.47 0.00 -0.26 0.00 0.00 57.72 56.98 3rnt n HIS 92 Cb 0.59 -0.72 -0.04 0.00 1.12 0.00 0.00 29.99 30.94 3rnt n HIS 92 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3rnt n THR 93 N -2.07 0.27 -1.01 1.59 -1.04 -1.26 -1.83 114.28 108.92 3rnt n THR 93 Ca 0.05 -0.05 -0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3rnt n THR 93 Cb 0.42 -1.68 -0.00 0.00 -1.82 0.00 0.00 70.33 67.24 3rnt n THR 93 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3rnt n GLY 94 N 3.85 0.46 3.22 3.41 0.00 -1.26 -4.79 105.19 110.09 3rnt n GLY 94 Ca 0.20 -0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 3rnt n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3rnt s ALA 95 N -1.90 1.68 0.48 4.61 0.00 -0.76 -4.98 121.76 120.88 3rnt s ALA 95 Ca 0.00 -0.93 -0.15 0.00 0.00 0.00 0.00 51.96 50.88 3rnt s ALA 95 Cb 0.00 -0.38 -0.08 0.00 0.00 0.00 0.00 23.12 22.66 3rnt s ALA 95 CO 0.00 0.40 0.92 -1.54 0.00 0.00 0.00 175.76 175.53 3rnt s SER 96 N -0.74 6.60 1.31 0.00 1.04 -1.26 -4.74 113.70 115.91 3rnt s SER 96 Ca 0.07 1.44 0.00 0.00 0.48 0.00 0.00 55.95 57.94 3rnt s SER 96 Cb -0.08 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 63.59 3rnt s SER 96 CO 0.00 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.31 3rnt n GLY 97 N -1.44 3.13 1.31 7.32 0.00 -1.26 -0.96 105.19 113.28 3rnt n GLY 97 Ca 0.05 0.28 -0.08 0.00 0.00 0.00 0.00 46.02 46.27 3rnt n GLY 97 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3rnt n ASN 98 N 7.19 3.16 -4.69 1.61 6.94 -1.26 -5.01 115.26 123.20 3rnt n ASN 98 Ca 0.00 -3.76 -0.29 0.00 -0.02 0.00 0.00 54.58 50.51 3rnt n ASN 98 Cb 0.00 -0.44 0.12 0.00 -2.36 0.00 0.00 39.78 37.11 3rnt n ASN 98 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 3rnt s ASN 99 N -3.39 3.91 0.17 0.53 -0.87 -0.14 -5.05 114.94 110.10 3rnt s ASN 99 Ca 0.44 0.71 0.03 0.00 -1.57 0.00 0.00 52.86 52.47 3rnt s ASN 99 Cb 0.39 -1.13 -0.05 0.00 -0.02 0.00 0.00 41.25 40.44 3rnt s ASN 99 CO -0.02 -2.28 -0.03 -0.36 -2.57 0.00 0.00 177.10 171.84 3rnt s PHE 100 N -3.56 1.26 0.10 2.20 0.08 -1.26 -4.46 117.98 112.34 3rnt s PHE 100 Ca 0.65 -0.92 0.03 0.00 0.12 0.00 0.00 56.93 56.81 3rnt s PHE 100 Cb -0.10 -0.70 -0.04 0.00 -0.57 0.00 0.00 43.02 41.61 3rnt s PHE 100 CO 0.51 -0.10 -0.10 0.14 -0.10 0.00 0.00 175.22 175.58 3rnt s VAL 101 N -3.53 0.90 0.43 -0.44 -7.23 -0.52 -4.97 120.40 105.04 3rnt s VAL 101 Ca 0.22 -1.66 -0.15 0.00 -1.81 0.00 0.00 61.98 58.58 3rnt s VAL 101 Cb 0.05 -1.37 -0.08 0.00 0.56 0.00 0.00 36.38 35.54 3rnt s VAL 101 CO 0.03 -0.59 0.86 -0.70 -0.31 0.00 0.00 175.10 174.39 3rnt s GLU 102 N -2.88 3.94 0.37 4.82 2.12 -1.26 -1.07 118.70 124.73 3rnt s GLU 102 Ca 0.06 0.76 -0.17 0.00 0.36 0.00 0.00 54.97 55.98 3rnt s GLU 102 Cb -0.02 -2.28 -0.10 0.00 0.26 0.00 0.00 34.13 31.99 3rnt s GLU 102 CO -0.01 -0.08 0.82 0.00 -0.54 0.00 0.00 175.26 175.45