#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i0x h ASP 3 N 6.95 0.00 -3.50 0.00 3.32 -1.41 -3.44 116.42 118.35 1i0x h ASP 3 Ca 0.28 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.99 1i0x h ASP 3 Cb 0.86 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.07 1i0x h ASP 3 CO 1.20 0.57 -0.75 -0.31 -1.72 0.00 0.00 179.24 178.23 1i0x s TYR 4 N -3.23 0.28 -0.29 4.55 2.02 -0.58 -4.96 117.35 115.15 1i0x s TYR 4 Ca 0.01 0.01 -0.00 0.00 -0.37 0.00 0.00 57.07 56.72 1i0x s TYR 4 Cb 0.10 -0.39 0.05 0.00 -0.40 0.00 0.00 41.96 41.32 1i0x s TYR 4 CO 0.74 -0.12 -0.03 0.99 -1.57 0.00 0.00 175.55 175.55 1i0x s THR 5 N 1.02 2.76 -0.51 -0.71 2.01 0.98 -0.60 115.64 120.58 1i0x s THR 5 Ca -0.10 -1.43 -0.06 0.00 0.31 0.00 0.00 61.69 60.41 1i0x s THR 5 Cb -0.13 -2.58 0.13 0.00 0.01 0.00 0.00 72.50 69.92 1i0x s THR 5 CO -0.02 -0.07 0.35 0.00 -0.69 0.00 0.00 174.62 174.19 1i0x n GLY 7 N 4.39 3.16 0.96 0.00 0.00 -1.26 -1.08 105.19 111.36 1i0x n GLY 7 Ca -0.01 -0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.02 1i0x n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1i0x n SER 8 N 9.31 3.20 -4.79 1.61 3.41 -1.26 -4.95 113.62 120.15 1i0x n SER 8 Ca 0.00 -1.92 -0.38 0.00 -0.26 0.00 0.00 58.87 56.31 1i0x n SER 8 Cb 0.00 -0.25 -0.06 0.00 -0.26 0.00 0.00 64.21 63.64 1i0x n SER 8 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1i0x s ASN 9 N -1.19 6.81 -0.17 4.04 0.01 -0.24 -5.07 114.94 119.12 1i0x s ASN 9 Ca 0.33 0.97 -0.02 0.00 -0.71 0.00 0.00 52.86 53.43 1i0x s ASN 9 Cb 0.19 -2.28 -0.01 0.00 0.41 0.00 0.00 41.25 39.55 1i0x s ASN 9 CO 0.25 0.20 -0.10 0.00 -1.51 0.00 0.00 177.10 175.95 1i0x s TYR 11 N 0.86 2.19 0.37 0.00 2.02 0.23 -5.00 117.35 118.02 1i0x s TYR 11 Ca -0.03 -0.40 0.04 0.00 -0.37 0.00 0.00 57.07 56.31 1i0x s TYR 11 Cb -0.15 -1.29 -0.01 0.00 -0.40 0.00 0.00 41.96 40.11 1i0x s TYR 11 CO 0.00 0.15 0.53 -1.54 -1.57 0.00 0.00 175.55 173.12 1i0x s SER 12 N -1.35 5.96 0.49 2.29 1.04 -1.24 -1.02 113.70 119.87 1i0x s SER 12 Ca 0.11 0.02 0.15 0.00 0.48 0.00 0.00 55.95 56.71 1i0x s SER 12 Cb -0.10 -1.42 1.19 0.00 0.10 0.00 0.00 66.02 65.80 1i0x s SER 12 CO 0.03 -0.49 2.11 0.28 0.98 0.00 0.00 173.24 176.14 1i0x h SER 13 N 0.74 0.11 -0.45 7.02 0.02 -1.94 -1.63 113.55 117.41 1i0x h SER 13 Ca -0.47 -0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.38 1i0x h SER 13 Cb 1.25 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 1i0x h SER 13 CO 0.55 0.08 -0.12 0.28 -1.14 0.00 0.00 176.83 176.48 1i0x h SER 14 N 0.13 0.90 -0.64 3.07 0.02 -1.97 -0.58 113.55 114.47 1i0x h SER 14 Ca 0.07 -0.37 0.03 0.00 -0.84 0.00 0.00 61.79 60.68 1i0x h SER 14 Cb 0.10 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.36 1i0x h SER 14 CO -0.01 1.06 0.40 0.44 -1.14 0.00 0.00 176.83 177.57 1i0x h ASP 15 N 0.72 0.65 -0.04 3.07 3.32 -1.69 -1.00 116.42 121.45 1i0x h ASP 15 Ca 0.11 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1i0x h ASP 15 Cb 0.67 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 1i0x h ASP 15 CO 0.05 0.45 0.01 0.58 -1.72 0.00 0.00 179.24 178.60 1i0x h VAL 16 N 0.78 1.21 -0.21 -1.35 2.07 -1.24 -1.69 116.25 115.81 1i0x h VAL 16 Ca 0.26 -0.62 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 1i0x h VAL 16 Cb 0.03 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1i0x h VAL 16 CO -0.11 0.17 -0.14 0.77 0.02 0.00 0.00 177.57 178.29 1i0x h SER 17 N -0.18 0.34 -0.19 0.57 4.64 -0.93 0.16 113.55 117.95 1i0x h SER 17 Ca 0.01 -0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 61.17 1i0x h SER 17 Cb 0.26 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1i0x h SER 17 CO 0.00 0.50 -0.20 0.74 -0.87 0.00 0.00 176.83 177.00 1i0x h THR 18 N 0.33 1.33 -0.37 2.95 2.02 -1.12 -0.94 112.91 117.11 1i0x h THR 18 Ca 0.06 -1.37 -0.03 0.00 0.77 0.00 0.00 66.41 65.84 1i0x h THR 18 Cb 0.44 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 1i0x h THR 18 CO 0.03 0.42 0.09 0.00 0.37 0.00 0.00 175.52 176.42 1i0x h ALA 19 N 0.63 0.48 -0.79 6.16 0.00 -1.05 -2.71 119.26 121.99 1i0x h ALA 19 Ca 0.03 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.81 1i0x h ALA 19 Cb 0.75 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 1i0x h ALA 19 CO 0.05 0.15 0.48 0.37 0.00 0.00 0.00 179.25 180.30 1i0x h GLN 20 N 0.44 0.86 -0.78 0.00 4.15 -0.64 -1.56 115.11 117.58 1i0x h GLN 20 Ca 0.12 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.45 1i0x h GLN 20 Cb 0.30 -0.19 -0.04 0.00 0.21 0.00 0.00 27.48 27.76 1i0x h GLN 20 CO 0.00 0.57 0.34 0.00 -1.93 0.00 0.00 178.83 177.81 1i0x h ALA 21 N 1.38 1.12 -0.36 3.38 0.00 -1.00 -0.28 119.26 123.51 1i0x h ALA 21 Ca 0.34 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1i0x h ALA 21 Cb 0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1i0x h ALA 21 CO -0.17 0.64 -0.01 0.00 0.00 0.00 0.00 179.25 179.71 1i0x h ALA 22 N 1.24 0.48 -0.55 0.00 0.00 -1.05 -1.43 119.26 117.95 1i0x h ALA 22 Ca 0.27 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1i0x h ALA 22 Cb 0.17 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1i0x h ALA 22 CO -0.03 0.26 0.11 0.78 0.00 0.00 0.00 179.25 180.37 1i0x h GLY 23 N 0.45 0.97 1.18 0.00 0.00 -1.06 -2.54 103.07 102.07 1i0x h GLY 23 Ca 0.10 -0.63 -0.05 0.00 0.00 0.00 0.00 47.33 46.75 1i0x h GLY 23 CO 0.02 0.59 0.25 -1.82 0.00 0.00 0.00 176.54 175.58 1i0x h TYR 24 N 0.80 1.06 -0.06 5.60 3.20 -0.96 -0.92 116.97 125.70 1i0x h TYR 24 Ca 0.17 -0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.97 1i0x h TYR 24 Cb 0.38 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 1i0x h TYR 24 CO 0.03 0.83 0.00 -0.22 -1.64 0.00 0.00 178.16 177.16 1i0x h LYS 25 N 1.02 0.03 -0.85 1.82 1.63 -1.08 0.11 116.57 119.25 1i0x h LYS 25 Ca 0.23 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.01 1i0x h LYS 25 Cb 0.23 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.82 1i0x h LYS 25 CO -0.02 0.02 0.46 -0.07 -3.45 0.00 0.00 179.45 176.39 1i0x h LEU 26 N 0.03 1.07 -0.50 5.20 3.38 -1.13 -1.03 115.31 122.33 1i0x h LEU 26 Ca 0.03 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1i0x h LEU 26 Cb 0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1i0x h LEU 26 CO -0.04 0.87 0.32 -0.74 0.09 0.00 0.00 178.44 178.93 1i0x h HIS 27 N 1.18 0.64 -0.49 1.13 2.76 -0.64 0.24 115.15 119.97 1i0x h HIS 27 Ca 0.30 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.42 1i0x h HIS 27 Cb 0.04 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 28.77 1i0x h HIS 27 CO 0.01 0.42 0.08 0.93 -1.30 0.00 0.00 177.93 178.06 1i0x h GLU 28 N 0.67 0.75 -0.00 5.26 4.39 -0.38 -2.30 114.58 122.98 1i0x h GLU 28 Ca 0.18 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1i0x h GLU 28 Cb -0.05 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.49 1i0x h GLU 28 CO -0.04 0.71 -0.10 -0.25 -1.16 0.00 0.00 179.01 178.17 1i0x n ASP 29 N -4.27 0.29 -1.65 1.42 8.00 -0.43 -4.93 116.55 114.98 1i0x n ASP 29 Ca 0.03 -0.29 -0.13 0.00 0.71 0.00 0.00 54.79 55.11 1i0x n ASP 29 Cb 0.24 -0.16 0.01 0.00 -0.02 0.00 0.00 41.12 41.19 1i0x n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i0x n GLY 30 N 1.33 -0.07 3.51 0.44 0.00 -0.04 -5.03 105.19 105.33 1i0x n GLY 30 Ca 0.13 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 1i0x n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i0x s GLU 31 N -4.94 1.77 0.05 1.61 8.01 -0.53 -5.04 118.70 119.63 1i0x s GLU 31 Ca 0.10 -1.85 -0.03 0.00 0.01 0.00 0.00 54.97 53.19 1i0x s GLU 31 Cb -0.04 -1.74 -0.03 0.00 -4.31 0.00 0.00 34.13 28.01 1i0x s GLU 31 CO 0.12 0.23 0.03 0.95 0.01 0.00 0.00 175.26 176.60 1i0x s THR 32 N -2.56 0.18 0.06 3.63 -4.23 -1.26 -4.40 115.64 107.06 1i0x s THR 32 Ca 0.31 -1.48 0.01 0.00 -1.18 0.00 0.00 61.69 59.35 1i0x s THR 32 Cb -0.01 -1.24 -0.04 0.00 1.34 0.00 0.00 72.50 72.55 1i0x s THR 32 CO 0.16 -0.82 -0.05 0.68 -0.54 0.00 0.00 174.62 174.05 1i0x s VAL 33 N -3.41 0.44 0.00 2.29 -7.23 0.18 -4.87 120.40 107.79 1i0x s VAL 33 Ca 0.02 -1.61 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 1i0x s VAL 33 Cb 0.04 -1.25 0.00 0.00 0.56 0.00 0.00 36.38 35.73 1i0x s VAL 33 CO -0.08 -0.78 0.00 0.61 -0.31 0.00 0.00 175.10 174.54 1i0x n GLY 34 N 0.49 -0.50 0.36 2.32 0.00 -1.25 -1.21 105.19 105.41 1i0x n GLY 34 Ca -0.16 -1.66 0.01 0.00 0.00 0.00 0.00 46.02 44.21 1i0x n GLY 34 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1i0x h SER 35 N 0.00 0.94 -0.42 1.61 0.87 -1.83 -2.27 113.55 112.45 1i0x h SER 35 Ca 0.00 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 1i0x h SER 35 Cb 0.00 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 1i0x h SER 35 CO 0.00 0.65 0.03 0.59 -0.53 0.00 0.00 176.83 177.57 1i0x n ASN 36 N -4.44 4.22 -3.50 6.23 5.03 -1.26 -4.96 115.26 116.57 1i0x n ASN 36 Ca 0.11 -2.67 -0.16 0.00 0.87 0.00 0.00 54.58 52.73 1i0x n ASN 36 Cb 0.10 -0.64 0.01 0.00 -1.02 0.00 0.00 39.78 38.23 1i0x n ASN 36 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1i0x n SER 37 N 0.35 -6.04 -4.87 6.41 2.88 -0.86 -4.89 113.62 106.61 1i0x n SER 37 Ca 0.21 -0.63 -0.35 0.00 -1.33 0.00 0.00 58.87 56.76 1i0x n SER 37 Cb 0.93 -3.27 -0.05 0.00 -0.75 0.00 0.00 64.21 61.07 1i0x n SER 37 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1i0x s TYR 38 N -3.05 3.60 0.52 0.66 2.02 -0.35 -3.86 117.35 116.89 1i0x s TYR 38 Ca 0.06 0.68 -0.12 0.00 -0.37 0.00 0.00 57.07 57.32 1i0x s TYR 38 Cb -0.02 -2.07 -0.06 0.00 -0.40 0.00 0.00 41.96 39.42 1i0x s TYR 38 CO 0.84 0.61 0.92 -1.25 -1.57 0.00 0.00 175.55 175.09 1i0x s PRO 39 N -1.64 3.73 0.15 -1.71 0.04 -1.26 -0.64 135.00 133.67 1i0x s PRO 39 Ca 0.27 0.66 -0.09 0.00 0.04 0.00 0.00 61.00 61.88 1i0x s PRO 39 Cb -0.14 -2.21 -0.01 0.00 0.04 0.00 0.00 34.50 32.18 1i0x s PRO 39 CO 0.15 -0.30 0.28 -3.38 0.04 0.00 0.00 177.00 173.79 1i0x s HIS 40 N -2.77 0.34 0.24 0.56 -3.43 -1.15 -4.89 115.29 104.19 1i0x s HIS 40 Ca 0.54 -0.71 -0.31 0.00 -0.80 0.00 0.00 55.06 53.78 1i0x s HIS 40 Cb -0.10 -0.03 -0.13 0.00 -1.43 0.00 0.00 32.58 30.88 1i0x s HIS 40 CO 0.41 -0.70 1.40 1.17 -2.00 0.00 0.00 174.74 175.01 1i0x n LYS 41 N -0.20 2.01 -3.84 -0.38 3.00 -1.26 -1.01 118.16 116.49 1i0x n LYS 41 Ca -0.09 0.72 -0.36 0.00 -0.00 0.00 0.00 58.31 58.58 1i0x n LYS 41 Cb 0.63 -2.37 -0.13 0.00 0.00 0.00 0.00 35.03 33.16 1i0x n LYS 41 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 1i0x s TYR 42 N -0.10 3.10 -0.86 5.64 5.04 0.70 -4.69 117.35 126.17 1i0x s TYR 42 Ca 0.68 -1.15 0.27 0.00 -2.44 0.00 0.00 57.07 54.43 1i0x s TYR 42 Cb -0.65 -2.17 1.02 0.00 0.35 0.00 0.00 41.96 40.51 1i0x s TYR 42 CO 0.50 -0.62 1.84 0.09 -1.34 0.00 0.00 175.55 176.02 1i0x n ASN 43 N 4.79 0.39 -3.44 4.32 3.02 -1.26 -4.01 115.26 119.07 1i0x n ASN 43 Ca -0.16 0.54 -0.17 0.00 -0.03 0.00 0.00 54.58 54.76 1i0x n ASN 43 Cb 0.48 -0.64 0.09 0.00 -0.61 0.00 0.00 39.78 39.09 1i0x n ASN 43 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1i0x n ASN 44 N -1.87 -2.15 0.19 6.41 5.15 -1.26 -4.88 115.26 116.85 1i0x n ASN 44 Ca 0.06 -0.64 0.05 0.00 -0.60 0.00 0.00 54.58 53.45 1i0x n ASN 44 Cb 0.37 -5.06 0.50 0.00 -0.53 0.00 0.00 39.78 35.06 1i0x n ASN 44 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 1i0x h TYR 45 N -1.87 0.11 0.00 1.20 0.05 -2.01 -1.72 116.97 112.73 1i0x h TYR 45 Ca -0.59 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.18 1i0x h TYR 45 Cb 1.34 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 39.05 1i0x h TYR 45 CO 0.44 0.20 0.00 0.93 -1.05 0.00 0.00 178.16 178.68 1i0x h GLU 46 N 0.11 0.00 -3.99 4.88 3.07 -1.94 -3.47 114.58 113.24 1i0x h GLU 46 Ca 0.02 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 58.64 1i0x h GLU 46 Cb 0.24 0.00 0.09 0.00 -0.84 0.00 0.00 28.75 28.23 1i0x h GLU 46 CO 0.01 0.00 -0.42 0.41 -1.40 0.00 0.00 179.01 177.61 1i0x n GLY 47 N -0.65 0.03 3.77 -3.84 0.00 -0.65 -5.00 105.19 98.86 1i0x n GLY 47 Ca -0.01 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 1i0x n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i0x s PHE 48 N -3.20 2.70 -1.28 1.61 0.08 -1.26 -4.94 117.98 111.69 1i0x s PHE 48 Ca 0.33 1.54 -0.13 0.00 0.12 0.00 0.00 56.93 58.79 1i0x s PHE 48 Cb -0.15 -3.29 0.13 0.00 -0.57 0.00 0.00 43.02 39.15 1i0x s PHE 48 CO 0.45 -1.55 1.73 -0.25 -0.10 0.00 0.00 175.22 175.49 1i0x n ASP 49 N -1.22 4.96 -4.79 1.36 8.00 -1.26 -5.00 116.55 118.60 1i0x n ASP 49 Ca 0.11 -2.99 -0.35 0.00 0.71 0.00 0.00 54.79 52.27 1i0x n ASP 49 Cb 0.51 -1.59 -0.05 0.00 -0.02 0.00 0.00 41.12 39.97 1i0x n ASP 49 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1i0x s PHE 50 N 1.92 3.27 -2.20 1.24 0.08 -1.26 -4.96 117.98 116.06 1i0x s PHE 50 Ca 0.44 1.64 0.25 0.00 0.12 0.00 0.00 56.93 59.38 1i0x s PHE 50 Cb 0.04 -3.03 0.45 0.00 -0.57 0.00 0.00 43.02 39.91 1i0x s PHE 50 CO 0.01 -0.47 1.38 0.43 -0.10 0.00 0.00 175.22 176.47 1i0x n SER 51 N -0.30 1.79 -4.38 1.36 7.64 -1.26 -4.88 113.62 113.59 1i0x n SER 51 Ca 0.06 -1.40 -0.27 0.00 1.01 0.00 0.00 58.87 58.27 1i0x n SER 51 Cb 0.51 0.20 -0.12 0.00 -1.01 0.00 0.00 64.21 63.79 1i0x n SER 51 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1i0x s VAL 52 N -2.32 2.15 0.61 0.44 -7.23 -1.26 -5.14 120.40 107.65 1i0x s VAL 52 Ca 0.25 -1.81 -0.12 0.00 -1.81 0.00 0.00 61.98 58.50 1i0x s VAL 52 Cb 0.19 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 35.14 1i0x s VAL 52 CO 0.47 -0.02 1.02 -0.94 -0.31 0.00 0.00 175.10 175.32 1i0x s SER 53 N -2.24 6.27 0.83 4.85 1.04 -1.26 -4.99 113.70 118.19 1i0x s SER 53 Ca 0.15 1.45 -0.12 0.00 0.48 0.00 0.00 55.95 57.91 1i0x s SER 53 Cb -0.09 -2.48 0.11 0.00 0.10 0.00 0.00 66.02 63.67 1i0x s SER 53 CO 0.07 -0.84 1.18 -0.94 0.98 0.00 0.00 173.24 173.69 1i0x s SER 54 N -3.99 4.15 0.75 7.02 1.04 -1.26 -4.74 113.70 116.66 1i0x s SER 54 Ca 0.56 0.52 -0.13 0.00 0.48 0.00 0.00 55.95 57.38 1i0x s SER 54 Cb -0.11 -0.90 0.05 0.00 0.10 0.00 0.00 66.02 65.16 1i0x s SER 54 CO 0.50 -2.09 1.13 -2.16 0.98 0.00 0.00 173.24 171.61 1i0x s PRO 55 N -5.59 2.17 0.20 4.02 0.04 -1.26 -4.92 135.00 129.66 1i0x s PRO 55 Ca 0.65 1.45 0.09 0.00 0.04 0.00 0.00 61.00 63.23 1i0x s PRO 55 Cb -0.09 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 1i0x s PRO 55 CO 0.49 -1.75 -0.09 0.71 0.04 0.00 0.00 177.00 176.40 1i0x s TYR 56 N -2.47 2.60 -0.01 0.56 2.02 -1.26 -3.84 117.35 114.96 1i0x s TYR 56 Ca 0.67 -0.24 0.02 0.00 -0.37 0.00 0.00 57.07 57.15 1i0x s TYR 56 Cb -0.22 -1.24 -0.00 0.00 -0.40 0.00 0.00 41.96 40.10 1i0x s TYR 56 CO 0.49 0.55 -0.07 0.71 -1.57 0.00 0.00 175.55 175.66 1i0x s TYR 57 N -1.87 0.67 0.02 2.71 2.02 0.26 -0.22 117.35 120.94 1i0x s TYR 57 Ca 0.26 -0.14 0.01 0.00 -0.37 0.00 0.00 57.07 56.83 1i0x s TYR 57 Cb -0.08 -0.46 -0.04 0.00 -0.40 0.00 0.00 41.96 40.98 1i0x s TYR 57 CO 0.16 -0.04 0.07 -1.83 -1.57 0.00 0.00 175.55 172.34 1i0x s GLU 58 N -0.03 2.99 -0.09 -0.62 -1.05 -0.18 -1.59 118.70 118.13 1i0x s GLU 58 Ca 0.01 -0.55 -0.07 0.00 -0.15 0.00 0.00 54.97 54.20 1i0x s GLU 58 Cb -0.04 -2.80 0.03 0.00 -0.44 0.00 0.00 34.13 30.87 1i0x s GLU 58 CO -0.00 0.62 0.23 -0.46 0.95 0.00 0.00 175.26 176.60 1i0x s TRP 59 N -1.23 -0.27 0.37 4.83 -0.11 -0.38 -2.95 118.94 119.19 1i0x s TRP 59 Ca 0.24 0.67 -0.27 0.00 1.22 0.00 0.00 56.10 57.96 1i0x s TRP 59 Cb -0.12 0.07 -0.09 0.00 -1.50 0.00 0.00 33.47 31.83 1i0x s TRP 59 CO 0.16 -0.16 1.23 -2.14 -4.62 0.00 0.00 176.95 171.42 1i0x s PRO 60 N 0.49 4.16 -0.09 5.86 0.02 -1.26 -0.14 135.00 144.04 1i0x s PRO 60 Ca -0.03 2.02 0.04 0.00 0.02 0.00 0.00 61.00 63.05 1i0x s PRO 60 Cb -0.04 -2.85 -0.00 0.00 0.02 0.00 0.00 34.50 31.63 1i0x s PRO 60 CO -0.03 -0.28 -0.23 -1.50 -0.33 0.00 0.00 177.00 174.63 1i0x s ILE 61 N -1.28 1.99 -0.16 2.83 2.07 -0.91 -4.51 121.20 121.23 1i0x s ILE 61 Ca 0.54 -0.99 -0.07 0.00 -1.41 0.00 0.00 60.65 58.72 1i0x s ILE 61 Cb -0.35 -1.71 -0.04 0.00 0.13 0.00 0.00 42.46 40.49 1i0x s ILE 61 CO 0.45 0.55 0.07 -0.76 -1.91 0.00 0.00 174.94 173.34 1i0x s LEU 62 N 0.25 3.89 0.64 8.50 1.43 -1.26 -4.42 118.68 127.71 1i0x s LEU 62 Ca -0.15 0.15 0.41 0.00 -1.03 0.00 0.00 54.13 53.51 1i0x s LEU 62 Cb -0.17 -1.97 2.19 0.00 0.03 0.00 0.00 46.19 46.27 1i0x s LEU 62 CO 0.07 0.24 2.30 0.77 0.23 0.00 0.00 176.35 179.96 1i0x h SER 63 N 6.24 0.00 0.64 2.29 4.64 -1.96 -1.79 113.55 123.61 1i0x h SER 63 Ca -0.42 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.82 1i0x h SER 63 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1i0x h SER 63 CO 0.67 0.01 -0.43 0.77 -0.87 0.00 0.00 176.83 176.98 1i0x h SER 64 N 0.00 0.00 0.00 4.97 4.64 -1.99 -3.47 113.55 117.70 1i0x h SER 64 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1i0x h SER 64 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1i0x h SER 64 CO 0.00 0.43 0.00 0.61 -0.87 0.00 0.00 176.83 177.00 1i0x n GLY 65 N 0.01 1.07 3.78 -0.77 0.00 -0.67 -5.07 105.19 103.53 1i0x n GLY 65 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1i0x n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i0x s ASP 66 N -1.84 6.30 0.04 1.61 1.01 -1.26 -4.99 116.67 117.53 1i0x s ASP 66 Ca 0.00 2.20 -0.24 0.00 0.71 0.00 0.00 52.55 55.21 1i0x s ASP 66 Cb 0.00 -2.59 -0.06 0.00 1.01 0.00 0.00 42.92 41.28 1i0x s ASP 66 CO 0.00 -0.82 0.75 -0.69 0.21 0.00 0.00 175.17 174.62 1i0x s VAL 67 N -1.63 4.74 0.25 -1.27 1.01 -1.26 -4.20 120.40 118.04 1i0x s VAL 67 Ca 0.63 1.59 -0.31 0.00 0.00 0.00 0.00 61.98 63.89 1i0x s VAL 67 Cb -0.26 -4.10 -0.13 0.00 0.00 0.00 0.00 36.38 31.90 1i0x s VAL 67 CO 0.31 0.38 1.43 0.00 0.00 0.00 0.00 175.10 177.21 1i0x n TYR 68 N 2.75 2.25 -0.55 5.22 9.36 -1.26 -4.90 117.16 130.04 1i0x n TYR 68 Ca -0.03 0.41 0.00 0.00 3.32 0.00 0.00 57.90 61.60 1i0x n TYR 68 Cb 0.50 -2.48 0.00 0.00 -0.63 0.00 0.00 39.34 36.74 1i0x n TYR 68 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1i0x n SER 69 N 2.13 0.86 0.00 2.98 3.41 -1.26 -4.99 113.62 116.75 1i0x n SER 69 Ca 0.11 -1.41 0.00 0.00 -0.26 0.00 0.00 58.87 57.31 1i0x n SER 69 Cb 0.32 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 1i0x n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i0x n GLY 70 N -0.20 1.17 0.00 5.00 0.00 -1.26 -4.66 105.19 105.23 1i0x n GLY 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1i0x n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i0x n GLY 71 N -0.52 1.30 3.66 -0.02 0.00 -1.26 -3.76 105.19 104.59 1i0x n GLY 71 Ca 0.00 -1.51 -0.43 0.00 0.00 0.00 0.00 46.02 44.08 1i0x n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1i0x s SER 72 N -1.00 7.11 0.48 1.61 0.15 -1.26 -4.67 113.70 116.11 1i0x s SER 72 Ca 0.00 1.44 0.27 0.00 0.70 0.00 0.00 55.95 58.36 1i0x s SER 72 Cb 0.00 -2.54 1.06 0.00 -1.71 0.00 0.00 66.02 62.83 1i0x s SER 72 CO 0.00 -0.64 1.88 1.55 1.20 0.00 0.00 173.24 177.23 1i0x h PRO 73 N 7.47 0.00 0.00 5.44 0.13 -1.99 -3.50 132.00 139.55 1i0x h PRO 73 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1i0x h PRO 73 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1i0x h PRO 73 CO 0.96 0.15 0.00 0.41 -0.23 0.00 0.00 178.00 179.29 1i0x n GLY 74 N 0.10 -1.53 0.05 1.56 0.00 -1.26 -4.42 105.19 99.71 1i0x n GLY 74 Ca 0.00 -1.24 0.11 0.00 0.00 0.00 0.00 46.02 44.89 1i0x n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i0x n ALA 75 N 0.22 3.09 -2.83 4.61 0.00 -1.26 -4.97 120.51 119.38 1i0x n ALA 75 Ca 0.00 -0.34 -0.34 0.00 0.00 0.00 0.00 53.44 52.76 1i0x n ALA 75 Cb 0.00 -1.04 -0.05 0.00 0.00 0.00 0.00 19.45 18.36 1i0x n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1i0x s ASP 76 N -4.27 6.43 0.00 0.00 1.01 -1.26 -1.25 116.67 117.32 1i0x s ASP 76 Ca 0.03 0.45 -0.02 0.00 0.71 0.00 0.00 52.55 53.73 1i0x s ASP 76 Cb 0.13 -2.05 -0.01 0.00 1.01 0.00 0.00 42.92 42.01 1i0x s ASP 76 CO 0.78 0.25 0.03 -0.13 0.21 0.00 0.00 175.17 176.31 1i0x s ARG 77 N -1.87 0.24 -0.03 8.23 1.81 0.22 -2.14 118.95 125.41 1i0x s ARG 77 Ca 0.28 -0.31 -0.02 0.00 -1.72 0.00 0.00 55.73 53.95 1i0x s ARG 77 Cb -0.13 0.09 -0.04 0.00 -0.45 0.00 0.00 34.95 34.43 1i0x s ARG 77 CO 0.17 -0.04 0.10 0.14 -0.68 0.00 0.00 175.30 174.99 1i0x s VAL 78 N -0.87 4.96 -0.14 3.52 -7.23 0.80 -0.75 120.40 120.69 1i0x s VAL 78 Ca -0.10 -0.23 0.02 0.00 -1.81 0.00 0.00 61.98 59.85 1i0x s VAL 78 Cb -0.06 -3.24 0.02 0.00 0.56 0.00 0.00 36.38 33.66 1i0x s VAL 78 CO -0.00 0.42 -0.18 -0.69 -0.31 0.00 0.00 175.10 174.34 1i0x s VAL 79 N -1.16 1.77 0.23 1.32 1.01 -0.10 -1.25 120.40 122.22 1i0x s VAL 79 Ca 0.21 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.44 1i0x s VAL 79 Cb -0.12 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 1i0x s VAL 79 CO 0.12 0.49 -0.01 0.72 0.00 0.00 0.00 175.10 176.43 1i0x s PHE 80 N 1.09 1.56 0.09 5.22 -0.12 -0.62 0.22 117.98 125.43 1i0x s PHE 80 Ca -0.02 -0.92 0.01 0.00 -0.05 0.00 0.00 56.93 55.95 1i0x s PHE 80 Cb -0.14 -0.90 0.01 0.00 -0.63 0.00 0.00 43.02 41.35 1i0x s PHE 80 CO -0.05 -0.03 0.07 0.27 -0.05 0.00 0.00 175.22 175.42 1i0x n ASN 81 N -0.42 1.36 -0.10 1.98 0.23 -0.71 -0.58 115.26 117.03 1i0x n ASN 81 Ca -0.05 -1.33 0.18 0.00 -0.53 0.00 0.00 54.58 52.85 1i0x n ASN 81 Cb 0.64 -0.00 0.59 0.00 -2.08 0.00 0.00 39.78 38.93 1i0x n ASN 81 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1i0x h GLU 82 N 0.00 0.22 -0.71 -3.83 4.57 -1.85 -0.86 114.58 112.11 1i0x h GLU 82 Ca -0.06 -0.01 -0.24 0.00 -1.18 0.00 0.00 59.36 57.86 1i0x h GLU 82 Cb 0.22 -0.05 -0.14 0.00 -0.16 0.00 0.00 28.75 28.62 1i0x h GLU 82 CO 0.10 0.14 0.28 0.09 -1.18 0.00 0.00 179.01 178.44 1i0x n ASN 83 N -4.42 4.42 -3.33 1.04 5.03 -1.26 -4.93 115.26 111.82 1i0x n ASN 83 Ca 0.13 -3.31 -0.24 0.00 0.87 0.00 0.00 54.58 52.02 1i0x n ASN 83 Cb 0.60 -0.74 0.03 0.00 -1.02 0.00 0.00 39.78 38.65 1i0x n ASN 83 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1i0x n ASN 84 N -0.41 -5.28 -4.76 6.41 5.15 -0.33 -4.98 115.26 111.07 1i0x n ASN 84 Ca 0.42 -0.42 -0.38 0.00 -0.60 0.00 0.00 54.58 53.59 1i0x n ASN 84 Cb 1.37 -4.26 -0.06 0.00 -0.53 0.00 0.00 39.78 36.30 1i0x n ASN 84 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1i0x s GLN 85 N -6.01 4.25 -0.19 1.20 -0.21 -1.26 -4.83 119.66 112.62 1i0x s GLN 85 Ca 0.42 0.56 -0.29 0.00 0.02 0.00 0.00 55.36 56.06 1i0x s GLN 85 Cb -0.20 -3.36 -0.01 0.00 1.00 0.00 0.00 33.01 30.44 1i0x s GLN 85 CO 0.52 0.34 1.31 -1.17 -2.12 0.00 0.00 175.29 174.17 1i0x s LEU 86 N -0.03 4.11 -0.06 2.90 2.96 -1.26 -1.73 118.68 125.57 1i0x s LEU 86 Ca 0.27 1.61 -0.17 0.00 -0.22 0.00 0.00 54.13 55.63 1i0x s LEU 86 Cb -0.17 -3.54 -0.30 0.00 0.50 0.00 0.00 46.19 42.69 1i0x s LEU 86 CO 0.14 -0.86 0.72 0.00 -1.32 0.00 0.00 176.35 175.02 1i0x h ALA 87 N 8.63 0.05 0.00 5.97 0.00 -0.57 -3.46 119.26 129.88 1i0x h ALA 87 Ca -0.27 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 53.68 1i0x h ALA 87 Cb 1.11 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1i0x h ALA 87 CO 0.98 0.71 0.00 0.41 0.00 0.00 0.00 179.25 181.36 1i0x n GLY 88 N 1.74 -0.73 3.12 0.00 0.00 -1.11 -4.65 105.19 103.56 1i0x n GLY 88 Ca -0.21 -1.02 -0.31 0.00 0.00 0.00 0.00 46.02 44.48 1i0x n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i0x s VAL 89 N -2.00 1.80 0.36 1.61 1.01 -1.26 -0.92 120.40 120.99 1i0x s VAL 89 Ca 0.00 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.20 1i0x s VAL 89 Cb 0.00 -1.62 -0.06 0.00 0.00 0.00 0.00 36.38 34.70 1i0x s VAL 89 CO 0.00 0.50 0.05 0.27 0.00 0.00 0.00 175.10 175.92 1i0x s ILE 90 N 0.90 1.30 0.04 2.22 -4.36 0.07 -1.14 121.20 120.23 1i0x s ILE 90 Ca -0.07 -2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 58.09 1i0x s ILE 90 Cb -0.15 -2.78 0.06 0.00 1.25 0.00 0.00 42.46 40.84 1i0x s ILE 90 CO -0.02 0.00 0.55 0.28 0.24 0.00 0.00 174.94 175.99 1i0x s THR 91 N -3.16 0.02 -0.36 8.37 -1.32 -0.36 -0.61 115.64 118.22 1i0x s THR 91 Ca 0.34 -0.19 0.23 0.00 -1.21 0.00 0.00 61.69 60.86 1i0x s THR 91 Cb 0.08 -0.97 0.22 0.00 -1.51 0.00 0.00 72.50 70.31 1i0x s THR 91 CO 0.15 -0.11 1.40 0.45 -2.21 0.00 0.00 174.62 174.31 1i0x h HIS 92 N 2.76 0.00 -2.68 9.09 3.86 -1.40 -1.07 115.15 125.70 1i0x h HIS 92 Ca -0.31 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.36 1i0x h HIS 92 Cb 1.21 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.67 1i0x h HIS 92 CO 0.35 0.00 1.03 0.99 0.86 0.00 0.00 177.93 181.17 1i0x s THR 93 N -3.26 3.61 0.00 2.45 2.01 -1.26 -1.55 115.64 117.63 1i0x s THR 93 Ca 0.04 0.81 0.00 0.00 0.31 0.00 0.00 61.69 62.85 1i0x s THR 93 Cb 0.07 -3.52 0.00 0.00 0.01 0.00 0.00 72.50 69.06 1i0x s THR 93 CO 0.71 -0.06 0.00 0.61 -0.69 0.00 0.00 174.62 175.20 1i0x n GLY 94 N 4.01 0.65 3.96 4.40 0.00 -1.26 -4.54 105.19 112.41 1i0x n GLY 94 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 1i0x n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i0x s ALA 95 N -2.18 4.17 0.17 4.61 0.00 -0.60 -4.98 121.76 122.95 1i0x s ALA 95 Ca 0.00 -1.51 0.05 0.00 0.00 0.00 0.00 51.96 50.50 1i0x s ALA 95 Cb 0.00 -1.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 1i0x s ALA 95 CO 0.00 -0.03 0.18 -1.12 0.00 0.00 0.00 175.76 174.79 1i0x s SER 96 N -4.14 5.73 1.25 0.00 0.01 -1.26 -4.92 113.70 110.37 1i0x s SER 96 Ca 0.44 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.64 1i0x s SER 96 Cb -0.09 -1.56 0.00 0.00 0.21 0.00 0.00 66.02 64.58 1i0x s SER 96 CO 0.30 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.62 1i0x n GLY 97 N -0.46 3.08 1.59 3.44 0.00 -1.26 -1.69 105.19 109.89 1i0x n GLY 97 Ca -0.08 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1i0x n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1i0x n ASN 98 N 2.60 4.46 -4.92 1.61 3.02 -1.26 -4.99 115.26 115.79 1i0x n ASN 98 Ca 0.00 -3.19 -0.27 0.00 -0.03 0.00 0.00 54.58 51.09 1i0x n ASN 98 Cb 0.00 -0.67 0.04 0.00 -0.61 0.00 0.00 39.78 38.54 1i0x n ASN 98 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1i0x s ASN 99 N -1.42 5.33 0.28 6.41 0.01 -0.68 -5.07 114.94 119.80 1i0x s ASN 99 Ca 0.51 0.67 0.12 0.00 -0.71 0.00 0.00 52.86 53.44 1i0x s ASN 99 Cb 0.41 -1.54 -0.05 0.00 0.41 0.00 0.00 41.25 40.48 1i0x s ASN 99 CO 0.11 -1.26 -0.18 -0.36 -1.51 0.00 0.00 177.10 173.90 1i0x s PHE 100 N -3.11 2.33 0.08 2.20 0.08 -1.26 -4.49 117.98 113.82 1i0x s PHE 100 Ca 0.56 -0.33 0.04 0.00 0.12 0.00 0.00 56.93 57.32 1i0x s PHE 100 Cb -0.11 -1.02 -0.03 0.00 -0.57 0.00 0.00 43.02 41.29 1i0x s PHE 100 CO 0.46 0.71 -0.11 0.14 -0.10 0.00 0.00 175.22 176.32 1i0x s VAL 101 N -2.50 0.91 0.30 -0.44 -7.23 -0.41 -4.93 120.40 106.10 1i0x s VAL 101 Ca 0.30 -1.47 -0.28 0.00 -1.81 0.00 0.00 61.98 58.72 1i0x s VAL 101 Cb -0.05 -1.17 -0.09 0.00 0.56 0.00 0.00 36.38 35.63 1i0x s VAL 101 CO 0.15 -0.46 1.04 -1.61 -0.31 0.00 0.00 175.10 173.92 1i0x s GLU 102 N -2.36 4.59 0.40 4.82 2.02 -1.26 -1.22 118.70 125.68 1i0x s GLU 102 Ca 0.01 1.63 -0.24 0.00 0.02 0.00 0.00 54.97 56.40 1i0x s GLU 102 Cb -0.06 -3.04 -0.09 0.00 0.10 0.00 0.00 34.13 31.04 1i0x s GLU 102 CO 0.01 0.22 1.02 0.00 0.02 0.00 0.00 175.26 176.52