#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rls h ASP 3 N 3.94 0.75 -3.74 0.00 3.32 -0.40 -3.44 116.42 116.85 1rls h ASP 3 Ca -0.47 -0.83 -0.44 0.00 0.02 0.00 0.00 57.03 55.31 1rls h ASP 3 Cb 1.20 -0.24 -0.31 0.00 0.22 0.00 0.00 39.33 40.19 1rls h ASP 3 CO 0.66 1.66 -0.79 -0.31 -1.72 0.00 0.00 179.24 178.74 1rls s TYR 4 N -2.61 1.00 -0.26 4.55 2.02 -0.01 -4.94 117.35 117.10 1rls s TYR 4 Ca -0.09 -0.27 -0.01 0.00 -0.37 0.00 0.00 57.07 56.33 1rls s TYR 4 Cb 0.05 -0.73 0.03 0.00 -0.40 0.00 0.00 41.96 40.91 1rls s TYR 4 CO 0.93 -0.13 -0.05 0.99 -1.57 0.00 0.00 175.55 175.72 1rls s THR 5 N 0.32 2.86 -0.54 -0.71 2.01 -1.26 -0.81 115.64 117.50 1rls s THR 5 Ca -0.05 -1.17 -0.08 0.00 0.31 0.00 0.00 61.69 60.70 1rls s THR 5 Cb -0.10 -2.52 0.14 0.00 0.01 0.00 0.00 72.50 70.03 1rls s THR 5 CO 0.01 0.10 0.40 0.00 -0.69 0.00 0.00 174.62 174.44 1rls n GLY 7 N 4.48 3.69 0.02 0.00 0.00 -1.26 -0.65 105.19 111.47 1rls n GLY 7 Ca -0.02 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.07 1rls n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rls n SER 8 N 9.00 0.63 -4.76 1.61 7.64 -1.26 -4.91 113.62 121.58 1rls n SER 8 Ca 0.00 -0.43 -0.40 0.00 1.01 0.00 0.00 58.87 59.05 1rls n SER 8 Cb 0.00 0.38 -0.05 0.00 -1.01 0.00 0.00 64.21 63.53 1rls n SER 8 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1rls s ASN 9 N -2.97 7.35 -0.22 6.43 0.02 0.17 -5.05 114.94 120.68 1rls s ASN 9 Ca 0.11 1.60 -0.04 0.00 -1.02 0.00 0.00 52.86 53.52 1rls s ASN 9 Cb 0.17 -2.50 -0.01 0.00 0.02 0.00 0.00 41.25 38.93 1rls s ASN 9 CO 0.72 0.11 -0.05 0.00 0.02 0.00 0.00 177.10 177.90 1rls s TYR 11 N 1.43 2.25 0.57 0.00 2.02 0.01 -4.99 117.35 118.63 1rls s TYR 11 Ca 0.05 -0.41 0.03 0.00 -0.37 0.00 0.00 57.07 56.37 1rls s TYR 11 Cb -0.14 -1.38 0.05 0.00 -0.40 0.00 0.00 41.96 40.09 1rls s TYR 11 CO -0.03 0.07 0.79 -1.54 -1.57 0.00 0.00 175.55 173.27 1rls s SER 12 N -1.03 5.12 0.27 2.29 1.04 -1.26 0.39 113.70 120.53 1rls s SER 12 Ca 0.11 -0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.31 1rls s SER 12 Cb -0.10 -0.52 0.38 0.00 0.10 0.00 0.00 66.02 65.88 1rls s SER 12 CO 0.01 -1.25 1.69 0.28 0.98 0.00 0.00 173.24 174.95 1rls h SER 13 N 0.05 0.46 -0.40 7.02 0.02 -1.98 -2.79 113.55 115.92 1rls h SER 13 Ca -0.39 -0.17 -0.12 0.00 -0.84 0.00 0.00 61.79 60.27 1rls h SER 13 Cb 1.29 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.69 1rls h SER 13 CO 0.47 0.75 -0.17 0.77 -1.14 0.00 0.00 176.83 177.51 1rls h SER 14 N 0.39 0.90 -0.37 3.07 4.64 -1.98 0.21 113.55 120.41 1rls h SER 14 Ca 0.05 -0.31 -0.01 0.00 -0.47 0.00 0.00 61.79 61.05 1rls h SER 14 Cb 0.74 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.57 1rls h SER 14 CO 0.06 1.06 0.20 0.44 -0.87 0.00 0.00 176.83 177.72 1rls h ASP 15 N 0.78 0.46 0.26 4.97 3.32 -1.90 -2.10 116.42 122.20 1rls h ASP 15 Ca 0.11 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1rls h ASP 15 Cb 0.71 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1rls h ASP 15 CO 0.05 0.41 -0.12 0.58 -1.72 0.00 0.00 179.24 178.44 1rls h VAL 16 N 0.47 0.76 -0.28 -1.35 2.07 -1.22 -1.94 116.25 114.76 1rls h VAL 16 Ca 0.13 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.56 1rls h VAL 16 Cb 0.05 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1rls h VAL 16 CO -0.02 0.01 0.01 0.77 0.02 0.00 0.00 177.57 178.36 1rls h SER 17 N -0.37 0.38 -0.23 0.57 4.64 -0.53 -1.55 113.55 116.45 1rls h SER 17 Ca -0.04 -0.06 -0.17 0.00 -0.47 0.00 0.00 61.79 61.05 1rls h SER 17 Cb 0.28 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1rls h SER 17 CO 0.06 0.44 -0.52 0.74 -0.87 0.00 0.00 176.83 176.67 1rls h THR 18 N 0.40 1.30 0.47 2.95 2.02 -1.28 -2.22 112.91 116.55 1rls h THR 18 Ca 0.09 -1.73 -0.02 0.00 0.77 0.00 0.00 66.41 65.52 1rls h THR 18 Cb 0.26 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1rls h THR 18 CO 0.01 0.55 -0.25 0.00 0.37 0.00 0.00 175.52 176.20 1rls h ALA 19 N 0.63 -0.66 -0.28 6.16 0.00 -1.05 -2.41 119.26 121.65 1rls h ALA 19 Ca 0.00 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.84 1rls h ALA 19 Cb 1.14 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 19.15 1rls h ALA 19 CO 0.12 -0.88 -0.14 0.37 0.00 0.00 0.00 179.25 178.72 1rls h GLN 20 N -0.67 -0.10 -0.83 0.00 4.15 -1.34 -1.35 115.11 114.97 1rls h GLN 20 Ca -0.06 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.43 1rls h GLN 20 Cb 0.53 0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.18 1rls h GLN 20 CO 0.08 -0.07 0.51 0.00 -1.93 0.00 0.00 178.83 177.43 1rls h ALA 21 N 1.11 1.13 -0.14 3.38 0.00 -1.37 0.18 119.26 123.55 1rls h ALA 21 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1rls h ALA 21 Cb 0.33 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1rls h ALA 21 CO -0.34 0.26 0.09 0.00 0.00 0.00 0.00 179.25 179.27 1rls h ALA 22 N 1.39 0.18 0.46 0.00 0.00 -0.76 -2.67 119.26 117.86 1rls h ALA 22 Ca 0.36 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1rls h ALA 22 Cb 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1rls h ALA 22 CO -0.16 -0.33 -0.25 0.78 0.00 0.00 0.00 179.25 179.29 1rls h GLY 23 N 0.19 -0.68 1.32 0.00 0.00 -0.79 -2.76 103.07 100.34 1rls h GLY 23 Ca 0.05 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1rls h GLY 23 CO -0.01 -0.25 0.44 -1.82 0.00 0.00 0.00 176.54 174.90 1rls h TYR 24 N -0.65 0.87 0.11 5.60 3.20 -0.68 -2.06 116.97 123.37 1rls h TYR 24 Ca -0.06 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 1rls h TYR 24 Cb 0.52 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.49 1rls h TYR 24 CO -0.06 0.56 -0.06 0.37 -1.64 0.00 0.00 178.16 177.33 1rls h GLN 25 N 0.94 -0.15 -0.90 1.82 5.75 -1.40 0.16 115.11 121.33 1rls h GLN 25 Ca 0.25 0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.80 1rls h GLN 25 Cb -0.09 0.03 -0.06 0.00 1.07 0.00 0.00 27.48 28.44 1rls h GLN 25 CO -0.05 -0.10 0.58 -0.07 -2.65 0.00 0.00 178.83 176.54 1rls h LEU 26 N -0.15 0.95 0.13 -2.39 -0.00 -1.25 -0.01 115.31 112.58 1rls h LEU 26 Ca -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.86 1rls h LEU 26 Cb 0.12 -0.21 -0.00 0.00 -0.00 0.00 0.00 40.66 40.57 1rls h LEU 26 CO 0.02 0.65 -0.07 -0.74 -0.00 0.00 0.00 178.44 178.30 1rls h HIS 27 N 1.11 -0.18 -0.78 1.13 2.76 -0.66 0.15 115.15 118.67 1rls h HIS 27 Ca 0.37 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.58 1rls h HIS 27 Cb 0.04 0.06 -0.05 0.00 1.55 0.00 0.00 27.41 29.02 1rls h HIS 27 CO -0.02 -0.11 0.51 0.93 -1.30 0.00 0.00 177.93 177.94 1rls h GLU 28 N -0.19 0.88 -0.00 5.26 4.39 -0.44 -2.41 114.58 122.07 1rls h GLU 28 Ca -0.01 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1rls h GLU 28 Cb 0.15 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1rls h GLU 28 CO 0.02 0.58 -0.21 -0.25 -1.16 0.00 0.00 179.01 177.98 1rls n ASP 29 N -4.47 0.29 -0.75 1.42 8.00 -0.04 -4.94 116.55 116.06 1rls n ASP 29 Ca 0.11 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.54 1rls n ASP 29 Cb 0.17 -0.13 -0.01 0.00 -0.02 0.00 0.00 41.12 41.13 1rls n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rls n GLY 30 N 1.46 0.28 3.74 0.44 0.00 0.41 -5.03 105.19 106.50 1rls n GLY 30 Ca 0.08 -0.62 -0.24 0.00 0.00 0.00 0.00 46.02 45.24 1rls n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rls s GLU 31 N -3.93 2.66 0.19 1.61 2.02 -0.60 -5.05 118.70 115.60 1rls s GLU 31 Ca 0.00 -1.14 0.01 0.00 0.02 0.00 0.00 54.97 53.86 1rls s GLU 31 Cb 0.00 -2.43 -0.05 0.00 0.10 0.00 0.00 34.13 31.76 1rls s GLU 31 CO 0.00 0.41 0.03 0.95 0.02 0.00 0.00 175.26 176.67 1rls s THR 32 N -2.07 0.59 0.01 3.63 -4.23 -1.26 -4.39 115.64 107.92 1rls s THR 32 Ca 0.31 -1.98 0.01 0.00 -1.18 0.00 0.00 61.69 58.85 1rls s THR 32 Cb -0.08 -2.22 -0.01 0.00 1.34 0.00 0.00 72.50 71.53 1rls s THR 32 CO 0.22 -0.37 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.20 1rls s VAL 33 N -3.72 0.30 0.00 2.29 1.01 0.32 -4.88 120.40 115.72 1rls s VAL 33 Ca 0.27 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1rls s VAL 33 Cb 0.07 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 36.15 1rls s VAL 33 CO 0.06 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1rls n GLY 34 N 2.61 -0.92 0.26 4.51 0.00 -1.26 0.13 105.19 110.51 1rls n GLY 34 Ca -0.15 -1.66 0.16 0.00 0.00 0.00 0.00 46.02 44.36 1rls n GLY 34 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1rls h SER 35 N 0.00 0.00 -0.20 1.61 0.02 -1.98 -2.28 113.55 110.72 1rls h SER 35 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1rls h SER 35 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1rls h SER 35 CO 0.00 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.28 1rls n ASN 36 N -3.10 3.00 -3.24 3.07 5.03 -1.26 -5.03 115.26 113.73 1rls n ASN 36 Ca 0.02 -1.94 -0.25 0.00 0.87 0.00 0.00 54.58 53.27 1rls n ASN 36 Cb 0.37 -0.12 0.03 0.00 -1.02 0.00 0.00 39.78 39.04 1rls n ASN 36 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1rls n SER 37 N 1.26 -6.49 -4.89 6.41 7.64 -0.86 -4.92 113.62 111.77 1rls n SER 37 Ca 0.17 0.17 -0.34 0.00 1.01 0.00 0.00 58.87 59.87 1rls n SER 37 Cb 0.57 -3.06 -0.05 0.00 -1.01 0.00 0.00 64.21 60.66 1rls n SER 37 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1rls s TYR 38 N -1.84 3.57 0.58 1.43 2.02 0.12 -3.98 117.35 119.25 1rls s TYR 38 Ca 0.31 0.57 -0.15 0.00 -0.37 0.00 0.00 57.07 57.43 1rls s TYR 38 Cb -0.05 -1.99 -0.05 0.00 -0.40 0.00 0.00 41.96 39.47 1rls s TYR 38 CO 0.79 0.60 1.03 -1.25 -1.57 0.00 0.00 175.55 175.14 1rls s PRO 39 N -1.85 3.56 0.11 -1.71 0.04 -1.26 0.12 135.00 134.00 1rls s PRO 39 Ca 0.29 1.01 -0.12 0.00 0.04 0.00 0.00 61.00 62.22 1rls s PRO 39 Cb -0.13 -2.08 0.02 0.00 0.04 0.00 0.00 34.50 32.35 1rls s PRO 39 CO 0.17 -0.60 0.29 -3.38 0.04 0.00 0.00 177.00 173.52 1rls s HIS 40 N -2.69 -0.01 0.45 0.56 -3.43 -1.10 -4.93 115.29 104.14 1rls s HIS 40 Ca 0.60 -0.37 -0.25 0.00 -0.80 0.00 0.00 55.06 54.24 1rls s HIS 40 Cb -0.13 0.09 -0.09 0.00 -1.43 0.00 0.00 32.58 31.02 1rls s HIS 40 CO 0.39 -0.62 1.31 1.63 -2.00 0.00 0.00 174.74 175.45 1rls n LYS 41 N -0.14 1.94 -3.88 -0.38 4.01 -1.26 -0.84 118.16 117.61 1rls n LYS 41 Ca -0.15 0.69 -0.35 0.00 -0.51 0.00 0.00 58.31 57.99 1rls n LYS 41 Cb 0.63 -2.45 -0.13 0.00 -0.51 0.00 0.00 35.03 32.56 1rls n LYS 41 CO 0.00 0.00 0.00 -0.47 -1.11 0.00 0.00 177.40 175.82 1rls s TYR 42 N -1.22 3.34 0.22 2.13 5.04 -0.55 -4.73 117.35 121.58 1rls s TYR 42 Ca 0.63 -1.99 0.31 0.00 -2.44 0.00 0.00 57.07 53.58 1rls s TYR 42 Cb -0.48 -2.35 1.36 0.00 0.35 0.00 0.00 41.96 40.83 1rls s TYR 42 CO 0.56 -0.84 1.99 -0.91 -1.34 0.00 0.00 175.55 175.02 1rls h ASN 43 N 8.00 0.00 -4.17 4.32 2.35 -1.95 -3.38 115.58 120.76 1rls h ASN 43 Ca -0.19 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.27 1rls h ASN 43 Cb 1.06 0.00 0.08 0.00 0.05 0.00 0.00 38.32 39.51 1rls h ASN 43 CO 0.57 0.09 -0.48 -3.20 -1.65 0.00 0.00 177.43 172.75 1rls n ASN 44 N -3.28 -5.12 -0.07 5.81 5.15 -1.26 -4.90 115.26 111.59 1rls n ASN 44 Ca -0.00 -0.33 0.20 0.00 -0.60 0.00 0.00 54.58 53.84 1rls n ASN 44 Cb 0.31 -3.80 0.65 0.00 -0.53 0.00 0.00 39.78 36.40 1rls n ASN 44 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 1rls h TYR 45 N -1.67 0.13 -0.14 1.20 0.05 -2.00 0.38 116.97 114.90 1rls h TYR 45 Ca -0.41 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.33 1rls h TYR 45 Cb 1.27 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.96 1rls h TYR 45 CO 0.37 0.05 -0.14 0.93 -1.05 0.00 0.00 178.16 178.32 1rls h GLU 46 N 0.11 0.23 -1.28 4.88 3.07 -1.95 -3.47 114.58 116.16 1rls h GLU 46 Ca 0.31 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 59.08 1rls h GLU 46 Cb 1.08 -0.03 0.01 0.00 -0.84 0.00 0.00 28.75 28.97 1rls h GLU 46 CO -0.04 0.37 -0.06 0.41 -1.40 0.00 0.00 179.01 178.30 1rls n GLY 47 N -0.86 0.76 3.77 -3.84 0.00 0.13 -5.02 105.19 100.12 1rls n GLY 47 Ca -0.01 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 1rls n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rls s PHE 48 N -2.91 2.75 -1.50 1.61 0.08 -1.26 -4.91 117.98 111.84 1rls s PHE 48 Ca 0.05 1.48 -0.09 0.00 0.12 0.00 0.00 56.93 58.49 1rls s PHE 48 Cb -0.02 -3.53 -0.00 0.00 -0.57 0.00 0.00 43.02 38.90 1rls s PHE 48 CO 0.06 -1.91 2.68 -0.25 -0.10 0.00 0.00 175.22 175.69 1rls n ASP 49 N -0.44 8.04 -4.76 1.36 9.92 -1.26 -4.98 116.55 124.42 1rls n ASP 49 Ca 0.07 -2.80 -0.37 0.00 -0.53 0.00 0.00 54.79 51.16 1rls n ASP 49 Cb 0.46 -1.50 0.02 0.00 -0.64 0.00 0.00 41.12 39.47 1rls n ASP 49 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1rls s PHE 50 N 1.07 2.54 -2.66 1.24 0.08 -1.26 -4.96 117.98 114.03 1rls s PHE 50 Ca 0.62 1.47 0.22 0.00 0.12 0.00 0.00 56.93 59.36 1rls s PHE 50 Cb 0.18 -3.55 0.23 0.00 -0.57 0.00 0.00 43.02 39.30 1rls s PHE 50 CO -0.07 -2.17 1.24 -1.13 -0.10 0.00 0.00 175.22 172.98 1rls n SER 51 N -0.98 2.97 -4.66 1.36 3.41 -1.26 -4.92 113.62 109.53 1rls n SER 51 Ca 0.10 -1.93 -0.23 0.00 -0.26 0.00 0.00 58.87 56.55 1rls n SER 51 Cb 0.47 -0.06 -0.07 0.00 -0.26 0.00 0.00 64.21 64.30 1rls n SER 51 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1rls s VAL 52 N -1.74 3.19 0.57 -3.33 -7.23 -1.26 -5.13 120.40 105.46 1rls s VAL 52 Ca 0.28 -1.87 -0.04 0.00 -1.81 0.00 0.00 61.98 58.54 1rls s VAL 52 Cb 0.19 -2.86 0.01 0.00 0.56 0.00 0.00 36.38 34.28 1rls s VAL 52 CO 0.28 -0.30 0.86 -0.44 -0.31 0.00 0.00 175.10 175.19 1rls s SER 53 N -3.72 5.52 0.74 4.85 0.01 -1.26 -5.04 113.70 114.80 1rls s SER 53 Ca 0.34 0.54 -0.09 0.00 1.31 0.00 0.00 55.95 58.04 1rls s SER 53 Cb -0.04 -1.53 0.06 0.00 0.21 0.00 0.00 66.02 64.72 1rls s SER 53 CO 0.20 -1.06 1.09 -0.94 0.41 0.00 0.00 173.24 172.94 1rls s SER 54 N -4.32 4.79 0.58 2.44 1.04 -1.26 -4.68 113.70 112.30 1rls s SER 54 Ca 0.54 0.68 -0.18 0.00 0.48 0.00 0.00 55.95 57.46 1rls s SER 54 Cb -0.10 -1.30 -0.04 0.00 0.10 0.00 0.00 66.02 64.68 1rls s SER 54 CO 0.43 -1.67 1.15 -2.16 0.98 0.00 0.00 173.24 171.97 1rls s PRO 55 N -5.38 3.11 0.10 4.02 0.04 -1.26 -4.86 135.00 130.77 1rls s PRO 55 Ca 0.60 1.64 0.05 0.00 0.04 0.00 0.00 61.00 63.33 1rls s PRO 55 Cb -0.11 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 1rls s PRO 55 CO 0.47 -1.05 0.03 0.71 0.04 0.00 0.00 177.00 177.20 1rls s TYR 56 N -1.82 3.04 -0.01 0.56 2.02 -1.26 -3.33 117.35 116.55 1rls s TYR 56 Ca 0.73 -0.01 0.02 0.00 -0.37 0.00 0.00 57.07 57.44 1rls s TYR 56 Cb -0.25 -1.55 -0.00 0.00 -0.40 0.00 0.00 41.96 39.76 1rls s TYR 56 CO 0.32 0.49 -0.06 0.71 -1.57 0.00 0.00 175.55 175.44 1rls s TYR 57 N -1.38 0.55 -0.07 2.71 2.02 0.22 -1.49 117.35 119.92 1rls s TYR 57 Ca 0.27 -0.10 -0.01 0.00 -0.37 0.00 0.00 57.07 56.86 1rls s TYR 57 Cb -0.12 -0.35 -0.03 0.00 -0.40 0.00 0.00 41.96 41.06 1rls s TYR 57 CO 0.20 -0.01 -0.00 -1.83 -1.57 0.00 0.00 175.55 172.33 1rls s GLU 58 N -0.13 2.93 -0.08 -0.62 -1.05 -0.02 -1.21 118.70 118.51 1rls s GLU 58 Ca 0.02 -0.46 -0.04 0.00 -0.15 0.00 0.00 54.97 54.34 1rls s GLU 58 Cb -0.03 -2.75 0.04 0.00 -0.44 0.00 0.00 34.13 30.95 1rls s GLU 58 CO -0.00 0.68 0.19 -0.46 0.95 0.00 0.00 175.26 176.62 1rls s TRP 59 N -0.93 -0.24 0.55 4.83 -0.11 -0.31 -2.69 118.94 120.04 1rls s TRP 59 Ca 0.15 0.60 -0.21 0.00 1.22 0.00 0.00 56.10 57.86 1rls s TRP 59 Cb -0.11 -0.00 -0.05 0.00 -1.50 0.00 0.00 33.47 31.81 1rls s TRP 59 CO 0.04 -0.18 1.34 -2.14 -4.62 0.00 0.00 176.95 171.39 1rls s PRO 60 N 1.00 3.13 -0.05 5.86 0.02 -1.26 0.10 135.00 143.80 1rls s PRO 60 Ca -0.07 2.19 0.04 0.00 0.02 0.00 0.00 61.00 63.17 1rls s PRO 60 Cb -0.09 -2.23 0.00 0.00 0.02 0.00 0.00 34.50 32.20 1rls s PRO 60 CO -0.06 -1.19 -0.15 -1.50 -0.33 0.00 0.00 177.00 173.78 1rls s ILE 61 N -1.33 1.27 -0.11 2.83 2.07 -0.99 -4.61 121.20 120.34 1rls s ILE 61 Ca 0.72 -0.61 -0.02 0.00 -1.41 0.00 0.00 60.65 59.33 1rls s ILE 61 Cb -0.39 -1.11 -0.03 0.00 0.13 0.00 0.00 42.46 41.06 1rls s ILE 61 CO 0.46 0.37 -0.03 -0.76 -1.91 0.00 0.00 174.94 173.08 1rls s LEU 62 N 0.21 3.39 0.33 8.50 1.43 -1.26 -4.41 118.68 126.87 1rls s LEU 62 Ca -0.07 0.02 0.25 0.00 -1.03 0.00 0.00 54.13 53.30 1rls s LEU 62 Cb -0.12 -1.78 1.17 0.00 0.03 0.00 0.00 46.19 45.49 1rls s LEU 62 CO 0.02 0.30 1.75 0.77 0.23 0.00 0.00 176.35 179.43 1rls h SER 63 N 5.70 0.00 1.74 2.29 4.64 -1.96 -0.38 113.55 125.58 1rls h SER 63 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1rls h SER 63 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1rls h SER 63 CO 0.57 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.30 1rls h SER 64 N 0.00 0.00 0.00 4.97 4.64 -2.00 -3.47 113.55 117.69 1rls h SER 64 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rls h SER 64 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1rls h SER 64 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1rls n GLY 65 N 0.86 1.24 3.89 -0.77 0.00 -0.15 -5.05 105.19 105.21 1rls n GLY 65 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1rls n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rls s ASP 66 N -3.07 5.76 -0.04 1.61 1.01 -1.26 -5.01 116.67 115.68 1rls s ASP 66 Ca 0.00 1.03 -0.20 0.00 0.71 0.00 0.00 52.55 54.10 1rls s ASP 66 Cb 0.00 -2.01 -0.05 0.00 1.01 0.00 0.00 42.92 41.87 1rls s ASP 66 CO 0.00 -1.06 0.56 -0.69 0.21 0.00 0.00 175.17 174.19 1rls s VAL 67 N -3.13 4.99 0.08 -1.27 1.01 -1.26 -4.27 120.40 116.55 1rls s VAL 67 Ca 0.55 1.15 -0.34 0.00 0.00 0.00 0.00 61.98 63.33 1rls s VAL 67 Cb -0.11 -3.89 -0.14 0.00 0.00 0.00 0.00 36.38 32.24 1rls s VAL 67 CO 0.49 0.40 1.62 0.00 0.00 0.00 0.00 175.10 177.61 1rls n TYR 68 N 2.94 2.19 -1.08 5.22 9.36 -1.26 -4.87 117.16 129.66 1rls n TYR 68 Ca -0.07 0.26 0.01 0.00 3.32 0.00 0.00 57.90 61.42 1rls n TYR 68 Cb 0.51 -2.54 0.01 0.00 -0.63 0.00 0.00 39.34 36.69 1rls n TYR 68 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1rls n SER 69 N 4.11 0.56 0.00 2.98 3.41 -1.26 -5.07 113.62 118.34 1rls n SER 69 Ca 0.19 -1.60 0.00 0.00 -0.26 0.00 0.00 58.87 57.19 1rls n SER 69 Cb 0.27 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 1rls n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rls n GLY 70 N -0.21 3.02 5.48 5.00 0.00 -1.26 -4.68 105.19 112.54 1rls n GLY 70 Ca 0.01 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.10 1rls n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rls n GLY 71 N -1.43 -1.80 3.73 -0.02 0.00 -1.26 -4.84 105.19 99.56 1rls n GLY 71 Ca 0.00 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 1rls n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1rls s SER 72 N -4.00 6.43 0.00 1.61 0.15 -1.26 -4.81 113.70 111.82 1rls s SER 72 Ca 0.00 2.84 0.27 0.00 0.70 0.00 0.00 55.95 59.76 1rls s SER 72 Cb 0.00 -2.61 0.92 0.00 -1.71 0.00 0.00 66.02 62.62 1rls s SER 72 CO 0.00 -0.92 1.67 -0.81 1.20 0.00 0.00 173.24 174.38 1rls n PRO 73 N 3.43 1.10 0.00 5.44 -0.04 -1.26 -5.05 135.00 138.62 1rls n PRO 73 Ca 0.13 -0.61 0.00 0.00 -0.04 0.00 0.00 63.50 62.98 1rls n PRO 73 Cb 0.37 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1rls n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rls n GLY 74 N 1.27 -0.25 0.00 0.55 0.00 -1.26 -4.44 105.19 101.07 1rls n GLY 74 Ca 0.15 -1.05 0.10 0.00 0.00 0.00 0.00 46.02 45.22 1rls n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rls n ALA 75 N 2.54 4.34 -2.86 4.61 0.00 -1.26 -4.99 120.51 122.89 1rls n ALA 75 Ca 0.00 -0.57 -0.34 0.00 0.00 0.00 0.00 53.44 52.53 1rls n ALA 75 Cb 0.00 -0.75 -0.06 0.00 0.00 0.00 0.00 19.45 18.65 1rls n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rls s ASP 76 N -3.23 6.16 0.01 0.00 1.01 -1.26 -0.52 116.67 118.84 1rls s ASP 76 Ca 0.05 0.30 -0.02 0.00 0.71 0.00 0.00 52.55 53.59 1rls s ASP 76 Cb 0.15 -1.90 -0.01 0.00 1.01 0.00 0.00 42.92 42.18 1rls s ASP 76 CO 0.86 0.28 0.02 -0.13 0.21 0.00 0.00 175.17 176.41 1rls s ARG 77 N -1.76 0.32 -0.05 8.23 1.81 0.16 -2.34 118.95 125.32 1rls s ARG 77 Ca 0.24 -0.46 -0.05 0.00 -1.72 0.00 0.00 55.73 53.74 1rls s ARG 77 Cb -0.12 0.12 -0.04 0.00 -0.45 0.00 0.00 34.95 34.46 1rls s ARG 77 CO 0.15 -0.06 0.19 0.14 -0.68 0.00 0.00 175.30 175.04 1rls s VAL 78 N -1.22 5.43 -0.20 3.52 -7.23 0.11 -0.66 120.40 120.16 1rls s VAL 78 Ca -0.13 0.05 0.01 0.00 -1.81 0.00 0.00 61.98 60.10 1rls s VAL 78 Cb -0.08 -3.50 0.03 0.00 0.56 0.00 0.00 36.38 33.39 1rls s VAL 78 CO -0.00 0.44 -0.17 -0.69 -0.31 0.00 0.00 175.10 174.37 1rls s VAL 79 N -1.21 2.00 0.22 1.32 1.01 -0.27 -1.17 120.40 122.30 1rls s VAL 79 Ca 0.23 -1.07 0.05 0.00 0.00 0.00 0.00 61.98 61.19 1rls s VAL 79 Cb -0.13 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 1rls s VAL 79 CO 0.13 0.37 -0.07 0.72 0.00 0.00 0.00 175.10 176.26 1rls s PHE 80 N 1.28 1.63 0.09 5.22 -0.12 -0.35 -0.60 117.98 125.14 1rls s PHE 80 Ca 0.01 -0.76 0.01 0.00 -0.05 0.00 0.00 56.93 56.14 1rls s PHE 80 Cb -0.15 -0.89 0.01 0.00 -0.63 0.00 0.00 43.02 41.36 1rls s PHE 80 CO -0.11 0.15 0.07 0.27 -0.05 0.00 0.00 175.22 175.55 1rls n ASN 81 N -0.41 1.27 0.27 1.98 6.94 -0.35 -0.61 115.26 124.36 1rls n ASN 81 Ca -0.07 -1.32 0.11 0.00 -0.02 0.00 0.00 54.58 53.28 1rls n ASN 81 Cb 0.62 -0.01 0.76 0.00 -2.36 0.00 0.00 39.78 38.80 1rls n ASN 81 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1rls h GLU 82 N 0.00 0.00 -0.39 -3.83 4.57 -1.82 -2.01 114.58 111.10 1rls h GLU 82 Ca -0.06 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1rls h GLU 82 Cb 0.22 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1rls h GLU 82 CO 0.09 0.02 0.00 0.09 -1.18 0.00 0.00 179.01 178.03 1rls n ASN 83 N -4.16 2.02 -3.51 1.04 3.02 -1.26 -4.90 115.26 107.52 1rls n ASN 83 Ca -0.03 -2.02 -0.24 0.00 -0.03 0.00 0.00 54.58 52.27 1rls n ASN 83 Cb 0.11 -0.26 0.08 0.00 -0.61 0.00 0.00 39.78 39.09 1rls n ASN 83 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1rls n ASN 84 N 0.57 -6.32 -4.84 6.41 5.15 -0.76 -4.99 115.26 110.47 1rls n ASN 84 Ca 0.12 -0.52 -0.37 0.00 -0.60 0.00 0.00 54.58 53.22 1rls n ASN 84 Cb 0.33 -4.96 -0.06 0.00 -0.53 0.00 0.00 39.78 34.55 1rls n ASN 84 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1rls s GLN 85 N -6.26 3.69 -0.13 1.20 -0.21 -1.26 -4.88 119.66 111.81 1rls s GLN 85 Ca 0.56 -0.03 -0.29 0.00 0.02 0.00 0.00 55.36 55.62 1rls s GLN 85 Cb -0.25 -3.24 -0.02 0.00 1.00 0.00 0.00 33.01 30.50 1rls s GLN 85 CO 0.70 0.66 1.25 -1.17 -2.12 0.00 0.00 175.29 174.61 1rls s LEU 86 N -0.73 4.21 -0.12 2.90 2.96 -1.26 -1.21 118.68 125.42 1rls s LEU 86 Ca 0.16 1.74 -0.02 0.00 -0.22 0.00 0.00 54.13 55.78 1rls s LEU 86 Cb -0.13 -3.54 -0.25 0.00 0.50 0.00 0.00 46.19 42.77 1rls s LEU 86 CO 0.05 -0.71 0.35 0.00 -1.32 0.00 0.00 176.35 174.71 1rls n ALA 87 N 6.21 1.05 0.00 5.97 0.00 0.23 -4.83 120.51 129.14 1rls n ALA 87 Ca 0.13 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1rls n ALA 87 Cb 0.45 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.26 1rls n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rls n GLY 88 N 1.95 -0.31 3.15 0.00 0.00 -1.10 -4.65 105.19 104.22 1rls n GLY 88 Ca -0.31 -1.21 -0.32 0.00 0.00 0.00 0.00 46.02 44.18 1rls n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rls s VAL 89 N -2.00 1.98 0.20 1.61 1.01 -1.26 -1.11 120.40 120.83 1rls s VAL 89 Ca 0.00 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.10 1rls s VAL 89 Cb 0.00 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 1rls s VAL 89 CO 0.00 0.53 -0.08 0.27 0.00 0.00 0.00 175.10 175.83 1rls s ILE 90 N 0.87 1.32 0.06 2.22 -4.36 0.16 -0.87 121.20 120.61 1rls s ILE 90 Ca -0.06 -2.09 -0.15 0.00 -0.26 0.00 0.00 60.65 58.09 1rls s ILE 90 Cb -0.15 -2.12 0.02 0.00 1.25 0.00 0.00 42.46 41.46 1rls s ILE 90 CO -0.03 -0.53 0.34 0.28 0.24 0.00 0.00 174.94 175.25 1rls s THR 91 N -3.23 0.08 -0.89 8.37 -1.32 -0.65 0.36 115.64 118.35 1rls s THR 91 Ca 0.23 -0.66 0.26 0.00 -1.21 0.00 0.00 61.69 60.31 1rls s THR 91 Cb 0.03 -1.03 0.11 0.00 -1.51 0.00 0.00 72.50 70.10 1rls s THR 91 CO 0.06 -0.36 1.58 1.41 -2.21 0.00 0.00 174.62 175.10 1rls n HIS 92 N 0.33 0.22 -2.06 9.09 8.25 0.33 -1.13 115.22 130.25 1rls n HIS 92 Ca -0.18 0.06 -0.43 0.00 -0.26 0.00 0.00 57.72 56.92 1rls n HIS 92 Cb 0.61 -0.48 -0.03 0.00 1.12 0.00 0.00 29.99 31.21 1rls n HIS 92 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1rls s THR 93 N -3.05 3.65 0.00 1.59 2.01 -1.26 -2.18 115.64 116.40 1rls s THR 93 Ca 0.11 0.76 0.00 0.00 0.31 0.00 0.00 61.69 62.87 1rls s THR 93 Cb 0.16 -3.58 0.00 0.00 0.01 0.00 0.00 72.50 69.10 1rls s THR 93 CO 0.64 -0.16 0.00 0.61 -0.69 0.00 0.00 174.62 175.02 1rls n GLY 94 N 4.38 0.63 3.37 4.40 0.00 -1.26 -4.70 105.19 112.00 1rls n GLY 94 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1rls n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rls s ALA 95 N -2.02 2.32 0.52 4.61 0.00 -0.93 -4.97 121.76 121.30 1rls s ALA 95 Ca 0.00 -1.32 -0.18 0.00 0.00 0.00 0.00 51.96 50.45 1rls s ALA 95 Cb 0.00 -0.47 -0.07 0.00 0.00 0.00 0.00 23.12 22.58 1rls s ALA 95 CO 0.00 0.54 1.04 -1.54 0.00 0.00 0.00 175.76 175.80 1rls s SER 96 N -1.51 6.20 0.78 0.00 1.04 -1.26 -4.77 113.70 114.19 1rls s SER 96 Ca 0.13 1.85 0.00 0.00 0.48 0.00 0.00 55.95 58.41 1rls s SER 96 Cb -0.10 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.47 1rls s SER 96 CO 0.04 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.99 1rls n GLY 97 N -0.62 2.99 1.43 7.32 0.00 -1.26 -1.16 105.19 113.89 1rls n GLY 97 Ca 0.09 0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.33 1rls n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rls n ASN 98 N 3.70 4.20 -4.78 1.61 3.02 -1.26 -4.96 115.26 116.79 1rls n ASN 98 Ca 0.00 -2.30 -0.29 0.00 -0.03 0.00 0.00 54.58 51.96 1rls n ASN 98 Cb 0.00 -0.53 0.11 0.00 -0.61 0.00 0.00 39.78 38.76 1rls n ASN 98 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1rls s ASN 99 N -0.89 3.99 0.29 6.41 0.01 -0.31 -5.03 114.94 119.40 1rls s ASN 99 Ca 0.47 1.21 0.11 0.00 -0.71 0.00 0.00 52.86 53.94 1rls s ASN 99 Cb 0.28 -1.88 -0.05 0.00 0.41 0.00 0.00 41.25 40.01 1rls s ASN 99 CO 0.25 -2.28 -0.16 -0.36 -1.51 0.00 0.00 177.10 173.04 1rls s PHE 100 N -3.16 2.35 0.07 2.20 0.08 -1.26 -4.36 117.98 113.89 1rls s PHE 100 Ca 0.62 -0.34 -0.01 0.00 0.12 0.00 0.00 56.93 57.32 1rls s PHE 100 Cb -0.15 -1.06 -0.04 0.00 -0.57 0.00 0.00 43.02 41.20 1rls s PHE 100 CO 0.54 0.69 -0.01 0.54 -0.10 0.00 0.00 175.22 176.88 1rls s VAL 101 N -2.50 0.20 0.37 -0.44 0.11 -0.28 -4.95 120.40 112.91 1rls s VAL 101 Ca 0.31 -1.82 -0.15 0.00 -2.93 0.00 0.00 61.98 57.39 1rls s VAL 101 Cb -0.04 -1.62 -0.08 0.00 -1.53 0.00 0.00 36.38 33.10 1rls s VAL 101 CO 0.16 -0.89 0.79 -1.61 -3.33 0.00 0.00 175.10 170.22 1rls s GLU 102 N -3.94 3.97 0.29 1.54 2.02 -1.26 -1.64 118.70 119.68 1rls s GLU 102 Ca 0.10 0.70 -0.25 0.00 0.02 0.00 0.00 54.97 55.54 1rls s GLU 102 Cb 0.08 -2.36 -0.09 0.00 0.10 0.00 0.00 34.13 31.85 1rls s GLU 102 CO -0.08 0.05 0.90 0.00 0.02 0.00 0.00 175.26 176.15