#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 8.58 0.00 -3.90 0.00 3.32 -1.40 -3.43 116.42 119.60 1i0x h ASP 3 Ca 0.10 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.94 1i0x h ASP 3 Cb 1.03 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.32 1i0x h ASP 3 CO 1.01 0.16 -0.66 -0.31 -1.72 0.00 0.00 179.24 177.72 1i0x s TYR 4 N -3.98 -0.03 -0.18 4.55 2.02 -0.43 -4.98 117.35 114.32 1i0x s TYR 4 Ca -0.02 0.07 -0.00 0.00 -0.37 0.00 0.00 57.07 56.75 1i0x s TYR 4 Cb 0.12 -0.00 0.04 0.00 -0.40 0.00 0.00 41.96 41.72 1i0x s TYR 4 CO 0.60 -0.05 -0.06 0.99 -1.57 0.00 0.00 175.55 175.46 1i0x s THR 5 N -0.15 1.21 -0.50 -0.71 2.01 0.84 -0.49 115.64 117.85 1i0x s THR 5 Ca -0.02 -0.74 -0.13 0.00 0.31 0.00 0.00 61.69 61.11 1i0x s THR 5 Cb -0.01 -1.39 0.12 0.00 0.01 0.00 0.00 72.50 71.23 1i0x s THR 5 CO 0.00 0.10 0.42 0.00 -0.69 0.00 0.00 174.62 174.45 1i0x n GLY 7 N 5.09 1.42 0.27 0.00 0.00 -1.26 -1.11 105.19 109.60 1i0x n GLY 7 Ca -0.11 0.12 0.03 0.00 0.00 0.00 0.00 46.02 46.06 1i0x n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1i0x n SER 8 N 10.15 1.56 -4.67 1.61 7.64 -1.26 -4.99 113.62 123.66 1i0x n SER 8 Ca 0.00 -1.28 -0.41 0.00 1.01 0.00 0.00 58.87 58.19 1i0x n SER 8 Cb 0.00 0.01 -0.05 0.00 -1.01 0.00 0.00 64.21 63.16 1i0x n SER 8 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1i0x s ASN 9 N -0.57 6.85 -0.17 6.43 0.01 -0.27 -5.04 114.94 122.18 1i0x s ASN 9 Ca 0.08 1.04 -0.18 0.00 -0.71 0.00 0.00 52.86 53.08 1i0x s ASN 9 Cb 0.06 -2.41 -0.04 0.00 0.41 0.00 0.00 41.25 39.27 1i0x s ASN 9 CO 0.09 -0.34 0.51 0.00 -1.51 0.00 0.00 177.10 175.85 1i0x s TYR 11 N 1.31 1.65 0.47 0.00 2.02 0.36 -5.02 117.35 118.13 1i0x s TYR 11 Ca 0.25 -0.45 0.01 0.00 -0.37 0.00 0.00 57.07 56.51 1i0x s TYR 11 Cb -0.15 -1.11 0.00 0.00 -0.40 0.00 0.00 41.96 40.30 1i0x s TYR 11 CO 0.10 -0.14 0.68 -1.54 -1.57 0.00 0.00 175.55 173.08 1i0x s SER 12 N -0.01 5.73 0.44 2.29 1.04 -1.26 -1.02 113.70 120.90 1i0x s SER 12 Ca -0.02 0.20 0.11 0.00 0.48 0.00 0.00 55.95 56.71 1i0x s SER 12 Cb -0.11 -1.38 0.98 0.00 0.10 0.00 0.00 66.02 65.62 1i0x s SER 12 CO 0.02 -0.78 2.05 0.28 0.98 0.00 0.00 173.24 175.79 1i0x h SER 13 N 0.35 0.35 -0.56 7.02 0.02 -1.95 -1.21 113.55 117.58 1i0x h SER 13 Ca -0.45 -0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.40 1i0x h SER 13 Cb 1.26 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.70 1i0x h SER 13 CO 0.56 0.25 -0.02 0.28 -1.14 0.00 0.00 176.83 176.75 1i0x h SER 14 N 0.41 0.99 -0.65 3.07 0.02 -1.96 0.14 113.55 115.56 1i0x h SER 14 Ca 0.16 -0.32 -0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1i0x h SER 14 Cb 0.13 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 1i0x h SER 14 CO -0.04 1.06 0.40 0.44 -1.14 0.00 0.00 176.83 177.55 1i0x h ASP 15 N 0.88 0.78 -0.39 3.07 3.32 -1.63 -0.35 116.42 122.11 1i0x h ASP 15 Ca 0.16 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 1i0x h ASP 15 Cb 0.57 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 1i0x h ASP 15 CO 0.03 0.61 0.03 0.58 -1.72 0.00 0.00 179.24 178.77 1i0x h VAL 16 N 0.89 1.25 -0.79 -1.35 2.07 -0.97 -1.95 116.25 115.40 1i0x h VAL 16 Ca 0.23 -0.95 -0.05 0.00 0.82 0.00 0.00 66.70 66.76 1i0x h VAL 16 Cb -0.03 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 1i0x h VAL 16 CO -0.04 0.32 0.32 0.28 0.02 0.00 0.00 177.57 178.46 1i0x h SER 17 N 0.50 1.09 -0.36 0.57 0.02 -0.46 0.99 113.55 115.90 1i0x h SER 17 Ca 0.11 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 1i0x h SER 17 Cb 0.43 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1i0x h SER 17 CO 0.01 0.97 0.14 0.74 -1.14 0.00 0.00 176.83 177.55 1i0x h THR 18 N 1.15 1.19 -0.29 -2.27 2.02 -0.93 -0.14 112.91 113.64 1i0x h THR 18 Ca 0.26 -0.61 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 1i0x h THR 18 Cb 0.21 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1i0x h THR 18 CO -0.02 0.22 0.08 0.00 0.37 0.00 0.00 175.52 176.16 1i0x h ALA 19 N 0.98 0.38 -0.62 6.16 0.00 -1.06 -2.54 119.26 122.56 1i0x h ALA 19 Ca 0.12 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1i0x h ALA 19 Cb 0.20 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1i0x h ALA 19 CO -0.01 0.03 0.37 0.37 0.00 0.00 0.00 179.25 180.02 1i0x h GLN 20 N 0.31 0.71 -0.89 0.00 4.15 -0.62 -1.42 115.11 117.35 1i0x h GLN 20 Ca 0.09 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 1i0x h GLN 20 Cb 0.27 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 27.76 1i0x h GLN 20 CO -0.00 0.47 0.48 0.00 -1.93 0.00 0.00 178.83 177.85 1i0x h ALA 21 N 1.28 1.16 -0.30 3.38 0.00 -0.88 0.14 119.26 124.05 1i0x h ALA 21 Ca 0.26 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1i0x h ALA 21 Cb 0.06 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1i0x h ALA 21 CO -0.12 0.67 -0.09 0.00 0.00 0.00 0.00 179.25 179.71 1i0x h ALA 22 N 1.27 0.41 -0.47 0.00 0.00 -1.02 -1.77 119.26 117.67 1i0x h ALA 22 Ca 0.31 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1i0x h ALA 22 Cb 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1i0x h ALA 22 CO -0.05 0.25 -0.07 0.78 0.00 0.00 0.00 179.25 180.15 1i0x h GLY 23 N 0.35 0.96 1.12 0.00 0.00 -1.01 -2.96 103.07 101.53 1i0x h GLY 23 Ca 0.07 -0.77 -0.06 0.00 0.00 0.00 0.00 47.33 46.58 1i0x h GLY 23 CO 0.03 0.70 0.19 -1.82 0.00 0.00 0.00 176.54 175.65 1i0x h TYR 24 N 0.74 1.14 -0.29 5.60 3.20 -0.67 -1.28 116.97 125.41 1i0x h TYR 24 Ca 0.13 -0.12 0.03 0.00 3.14 0.00 0.00 58.73 61.91 1i0x h TYR 24 Cb 0.61 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 1i0x h TYR 24 CO 0.05 0.91 0.09 -0.22 -1.64 0.00 0.00 178.16 177.35 1i0x h LYS 25 N 1.05 0.20 -0.54 1.82 1.63 -1.25 0.42 116.57 119.90 1i0x h LYS 25 Ca 0.22 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.00 1i0x h LYS 25 Cb 0.33 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.89 1i0x h LYS 25 CO -0.00 0.13 0.29 -0.07 -3.45 0.00 0.00 179.45 176.35 1i0x h LEU 26 N 0.21 0.68 -0.45 5.20 3.38 -1.33 -1.15 115.31 121.84 1i0x h LEU 26 Ca 0.13 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1i0x h LEU 26 Cb 0.11 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1i0x h LEU 26 CO -0.14 0.58 0.21 -0.74 0.09 0.00 0.00 178.44 178.44 1i0x h HIS 27 N 0.72 0.66 -0.83 1.13 2.76 -0.54 0.07 115.15 119.10 1i0x h HIS 27 Ca 0.19 -0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.34 1i0x h HIS 27 Cb 0.06 -0.20 -0.04 0.00 1.55 0.00 0.00 27.41 28.78 1i0x h HIS 27 CO -0.01 0.53 0.55 1.49 -1.30 0.00 0.00 177.93 179.19 1i0x h GLU 28 N 0.59 1.07 -0.01 5.26 4.81 0.05 -1.84 114.58 124.50 1i0x h GLU 28 Ca 0.16 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1i0x h GLU 28 Cb 0.13 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.27 1i0x h GLU 28 CO -0.02 0.71 -0.08 -0.25 -0.73 0.00 0.00 179.01 178.63 1i0x n ASP 29 N -4.42 0.61 -1.38 1.04 8.00 -0.46 -4.93 116.55 115.02 1i0x n ASP 29 Ca 0.10 -0.81 -0.11 0.00 0.71 0.00 0.00 54.79 54.68 1i0x n ASP 29 Cb 0.05 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 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 1.22 -0.01 3.47 0.44 0.00 -0.35 -5.03 105.19 104.94 1i0x n GLY 30 Ca 0.16 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 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 -4.76 1.68 0.15 1.61 8.01 -0.14 -5.03 118.70 120.23 1i0x s GLU 31 Ca 0.06 -1.78 -0.03 0.00 0.01 0.00 0.00 54.97 53.23 1i0x s GLU 31 Cb -0.03 -1.74 -0.03 0.00 -4.31 0.00 0.00 34.13 28.02 1i0x s GLU 31 CO 0.07 0.30 0.12 0.95 0.01 0.00 0.00 175.26 176.72 1i0x s THR 32 N -2.54 0.07 0.01 3.63 -4.23 -1.26 -4.16 115.64 107.17 1i0x s THR 32 Ca 0.30 -1.83 -0.03 0.00 -1.18 0.00 0.00 61.69 58.95 1i0x s THR 32 Cb -0.04 -2.11 -0.01 0.00 1.34 0.00 0.00 72.50 71.68 1i0x s THR 32 CO 0.15 -0.33 0.04 0.68 -0.54 0.00 0.00 174.62 174.62 1i0x s VAL 33 N -4.06 0.10 0.00 2.29 -7.23 0.21 -4.89 120.40 106.83 1i0x s VAL 33 Ca 0.26 -0.83 0.00 0.00 -1.81 0.00 0.00 61.98 59.59 1i0x s VAL 33 Cb 0.06 -0.36 0.00 0.00 0.56 0.00 0.00 36.38 36.65 1i0x s VAL 33 CO 0.04 -0.46 0.00 0.61 -0.31 0.00 0.00 175.10 174.98 1i0x n GLY 34 N 1.50 -0.42 0.25 2.32 0.00 -1.26 -1.18 105.19 106.40 1i0x n GLY 34 Ca -0.23 -1.65 0.17 0.00 0.00 0.00 0.00 46.02 44.31 1i0x n GLY 34 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1i0x h SER 35 N 0.00 0.00 -0.70 1.61 4.64 -1.89 -1.63 113.55 115.58 1i0x h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1i0x h SER 35 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1i0x h SER 35 CO 0.00 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.55 1i0x n ASN 36 N -2.77 4.32 -3.71 4.97 3.02 -1.26 -4.99 115.26 114.84 1i0x n ASN 36 Ca -0.01 -2.19 -0.30 0.00 -0.03 0.00 0.00 54.58 52.05 1i0x n ASN 36 Cb 0.17 -0.53 0.04 0.00 -0.61 0.00 0.00 39.78 38.85 1i0x n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1i0x n SER 37 N 1.44 -4.52 -4.77 6.41 7.64 -0.61 -4.73 113.62 114.47 1i0x n SER 37 Ca 0.25 -1.00 -0.38 0.00 1.01 0.00 0.00 58.87 58.75 1i0x n SER 37 Cb 0.74 -3.41 -0.06 0.00 -1.01 0.00 0.00 64.21 60.47 1i0x n SER 37 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1i0x s TYR 38 N -3.53 3.79 0.18 1.43 2.02 -0.32 -3.31 117.35 117.61 1i0x s TYR 38 Ca 0.39 1.83 -0.27 0.00 -0.37 0.00 0.00 57.07 58.65 1i0x s TYR 38 Cb -0.14 -2.95 -0.08 0.00 -0.40 0.00 0.00 41.96 38.39 1i0x s TYR 38 CO 0.86 0.28 0.84 -1.25 -1.57 0.00 0.00 175.55 174.70 1i0x s PRO 39 N -1.75 4.67 0.30 -1.71 0.04 -1.26 -0.62 135.00 134.66 1i0x s PRO 39 Ca 0.47 1.27 0.10 0.00 0.04 0.00 0.00 61.00 62.89 1i0x s PRO 39 Cb -0.21 -3.28 -0.06 0.00 0.04 0.00 0.00 34.50 31.00 1i0x s PRO 39 CO 0.27 0.53 -0.15 -3.38 0.04 0.00 0.00 177.00 174.32 1i0x s HIS 40 N -1.08 2.25 0.30 0.56 -3.43 -1.09 -4.91 115.29 107.90 1i0x s HIS 40 Ca 0.38 -0.44 -0.30 0.00 -0.80 0.00 0.00 55.06 53.90 1i0x s HIS 40 Cb -0.24 -1.13 -0.12 0.00 -1.43 0.00 0.00 32.58 29.66 1i0x s HIS 40 CO 0.28 0.60 1.41 1.63 -2.00 0.00 0.00 174.74 176.66 1i0x n LYS 41 N -0.66 2.24 -3.99 -0.38 5.02 -1.26 -1.08 118.16 118.05 1i0x n LYS 41 Ca -0.05 0.79 -0.33 0.00 -2.02 0.00 0.00 58.31 56.70 1i0x n LYS 41 Cb 0.62 -2.45 -0.14 0.00 -0.02 0.00 0.00 35.03 33.03 1i0x n LYS 41 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1i0x s TYR 42 N -0.49 3.36 -1.11 2.13 5.04 0.41 -4.73 117.35 121.96 1i0x s TYR 42 Ca 0.62 -2.28 0.24 0.00 -2.44 0.00 0.00 57.07 53.21 1i0x s TYR 42 Cb -0.58 -2.21 1.07 0.00 0.35 0.00 0.00 41.96 40.59 1i0x s TYR 42 CO 0.55 -0.87 1.78 0.09 -1.34 0.00 0.00 175.55 175.76 1i0x n ASN 43 N 4.48 0.00 -2.07 4.32 3.02 -1.26 -4.07 115.26 119.68 1i0x n ASN 43 Ca -0.10 0.36 -0.09 0.00 -0.03 0.00 0.00 54.58 54.71 1i0x n ASN 43 Cb 0.42 -0.45 0.04 0.00 -0.61 0.00 0.00 39.78 39.19 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 -1.45 -2.81 0.24 6.41 5.15 -1.26 -4.94 115.26 116.61 1i0x n ASN 44 Ca 0.07 -0.28 0.08 0.00 -0.60 0.00 0.00 54.58 53.86 1i0x n ASN 44 Cb 0.26 -2.66 0.60 0.00 -0.53 0.00 0.00 39.78 37.45 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 -1.04 0.00 0.00 1.20 0.99 -2.00 -1.02 116.97 115.10 1i0x h TYR 45 Ca -0.27 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.44 1i0x h TYR 45 Cb 1.17 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.89 1i0x h TYR 45 CO 0.22 0.15 -0.05 0.93 -0.00 0.00 0.00 178.16 179.40 1i0x h GLU 46 N 0.00 0.00 -2.46 4.88 3.07 -1.94 -3.47 114.58 114.66 1i0x h GLU 46 Ca -0.00 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.72 1i0x h GLU 46 Cb 0.30 0.00 0.04 0.00 -0.84 0.00 0.00 28.75 28.25 1i0x h GLU 46 CO 0.02 0.05 -0.23 0.41 -1.40 0.00 0.00 179.01 177.86 1i0x n GLY 47 N 0.11 0.38 3.75 -3.84 0.00 -0.39 -4.99 105.19 100.21 1i0x n GLY 47 Ca 0.01 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.01 3.21 -1.51 1.61 0.08 -1.26 -4.89 117.98 112.21 1i0x s PHE 48 Ca 0.18 1.31 -0.09 0.00 0.12 0.00 0.00 56.93 58.44 1i0x s PHE 48 Cb -0.08 -3.61 -0.00 0.00 -0.57 0.00 0.00 43.02 38.76 1i0x s PHE 48 CO 0.22 -1.81 2.67 -0.25 -0.10 0.00 0.00 175.22 175.95 1i0x n ASP 49 N 1.92 7.92 -4.67 1.36 8.00 -1.26 -4.96 116.55 124.86 1i0x n ASP 49 Ca 0.04 -2.79 -0.44 0.00 0.71 0.00 0.00 54.79 52.31 1i0x n ASP 49 Cb 0.42 -1.51 -0.02 0.00 -0.02 0.00 0.00 41.12 40.00 1i0x n ASP 49 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1i0x n PHE 50 N 3.30 2.04 0.97 1.24 3.72 -1.26 -4.89 117.46 122.58 1i0x n PHE 50 Ca 0.70 0.54 0.13 0.00 -0.05 0.00 0.00 57.45 58.77 1i0x n PHE 50 Cb 0.26 -2.40 0.49 0.00 -0.94 0.00 0.00 39.48 36.89 1i0x n PHE 50 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1i0x n SER 51 N 1.42 0.20 -4.68 4.37 3.41 -1.26 -4.82 113.62 112.25 1i0x n SER 51 Ca 0.08 0.28 -0.25 0.00 -0.26 0.00 0.00 58.87 58.72 1i0x n SER 51 Cb 0.33 -0.29 -0.07 0.00 -0.26 0.00 0.00 64.21 63.92 1i0x n SER 51 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1i0x s VAL 52 N -3.01 3.74 0.51 -3.33 -7.23 -1.26 -5.12 120.40 104.69 1i0x s VAL 52 Ca 0.13 -1.52 -0.11 0.00 -1.81 0.00 0.00 61.98 58.67 1i0x s VAL 52 Cb 0.18 -2.92 -0.05 0.00 0.56 0.00 0.00 36.38 34.15 1i0x s VAL 52 CO 0.59 -0.19 0.90 -0.94 -0.31 0.00 0.00 175.10 175.15 1i0x s SER 53 N -3.18 6.41 0.89 4.85 1.04 -1.26 -5.05 113.70 117.39 1i0x s SER 53 Ca 0.29 1.27 -0.14 0.00 0.48 0.00 0.00 55.95 57.85 1i0x s SER 53 Cb -0.09 -2.39 0.14 0.00 0.10 0.00 0.00 66.02 63.78 1i0x s SER 53 CO 0.19 -0.61 1.25 -0.94 0.98 0.00 0.00 173.24 174.11 1i0x s SER 54 N -3.62 3.80 0.47 7.02 1.04 -1.26 -4.73 113.70 116.41 1i0x s SER 54 Ca 0.53 0.54 -0.24 0.00 0.48 0.00 0.00 55.95 57.26 1i0x s SER 54 Cb -0.10 -0.82 -0.07 0.00 0.10 0.00 0.00 66.02 65.13 1i0x s SER 54 CO 0.41 -2.33 1.30 -2.16 0.98 0.00 0.00 173.24 171.44 1i0x s PRO 55 N -5.72 3.62 0.09 4.02 0.04 -1.26 -4.90 135.00 130.90 1i0x s PRO 55 Ca 0.68 2.12 0.04 0.00 0.04 0.00 0.00 61.00 63.87 1i0x s PRO 55 Cb -0.08 -2.50 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 1i0x s PRO 55 CO 0.51 -0.77 0.07 0.71 0.04 0.00 0.00 177.00 177.57 1i0x s TYR 56 N -1.34 3.14 0.00 0.56 2.02 -1.26 -3.05 117.35 117.43 1i0x s TYR 56 Ca 0.64 0.04 0.02 0.00 -0.37 0.00 0.00 57.07 57.40 1i0x s TYR 56 Cb -0.37 -1.59 -0.01 0.00 -0.40 0.00 0.00 41.96 39.60 1i0x s TYR 56 CO 0.46 0.51 -0.07 0.71 -1.57 0.00 0.00 175.55 175.59 1i0x s TYR 57 N -1.43 0.62 -0.03 2.71 1.51 0.22 -0.45 117.35 120.51 1i0x s TYR 57 Ca 0.29 -0.16 -0.00 0.00 -1.01 0.00 0.00 57.07 56.19 1i0x s TYR 57 Cb -0.12 -0.40 -0.04 0.00 -0.11 0.00 0.00 41.96 41.30 1i0x s TYR 57 CO 0.21 -0.02 0.03 -1.83 -1.11 0.00 0.00 175.55 172.84 1i0x s GLU 58 N -0.33 2.94 -0.01 -0.62 -1.05 -0.24 -1.61 118.70 117.79 1i0x s GLU 58 Ca 0.01 -0.50 -0.00 0.00 -0.15 0.00 0.00 54.97 54.33 1i0x s GLU 58 Cb -0.03 -2.78 0.01 0.00 -0.44 0.00 0.00 34.13 30.89 1i0x s GLU 58 CO -0.00 0.66 0.02 -0.46 0.95 0.00 0.00 175.26 176.43 1i0x s TRP 59 N -1.06 0.00 0.30 4.83 -0.11 -0.09 -2.65 118.94 120.15 1i0x s TRP 59 Ca 0.18 0.08 -0.29 0.00 1.22 0.00 0.00 56.10 57.29 1i0x s TRP 59 Cb -0.12 -0.10 -0.10 0.00 -1.50 0.00 0.00 33.47 31.66 1i0x s TRP 59 CO 0.09 -0.04 1.32 -2.14 -4.62 0.00 0.00 176.95 171.56 1i0x s PRO 60 N 0.46 4.35 -0.11 5.86 0.02 -1.26 -0.14 135.00 144.20 1i0x s PRO 60 Ca -0.04 2.19 0.03 0.00 0.02 0.00 0.00 61.00 63.21 1i0x s PRO 60 Cb -0.06 -3.10 -0.00 0.00 0.02 0.00 0.00 34.50 31.36 1i0x s PRO 60 CO -0.01 -0.23 -0.22 -1.50 -0.33 0.00 0.00 177.00 174.71 1i0x s ILE 61 N -0.75 2.20 -0.13 2.83 2.07 -0.79 -4.45 121.20 122.18 1i0x s ILE 61 Ca 0.52 -0.97 -0.07 0.00 -1.41 0.00 0.00 60.65 58.72 1i0x s ILE 61 Cb -0.39 -1.85 -0.04 0.00 0.13 0.00 0.00 42.46 40.30 1i0x s ILE 61 CO 0.49 0.55 0.11 -0.76 -1.91 0.00 0.00 174.94 173.42 1i0x s LEU 62 N 0.36 4.16 0.47 8.50 1.43 -1.26 -4.39 118.68 127.94 1i0x s LEU 62 Ca -0.17 0.34 0.31 0.00 -1.03 0.00 0.00 54.13 53.58 1i0x s LEU 62 Cb -0.18 -2.02 1.36 0.00 0.03 0.00 0.00 46.19 45.39 1i0x s LEU 62 CO 0.08 0.35 1.93 0.77 0.23 0.00 0.00 176.35 179.71 1i0x h SER 63 N 5.41 0.00 0.70 2.29 4.64 -1.96 -2.66 113.55 121.97 1i0x h SER 63 Ca -0.51 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.75 1i0x h SER 63 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1i0x h SER 63 CO 0.61 0.00 -0.32 0.77 -0.87 0.00 0.00 176.83 177.02 1i0x h SER 64 N 0.00 0.00 0.00 4.97 4.64 -1.98 -3.46 113.55 117.71 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 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1i0x h SER 64 CO 0.00 0.32 0.00 0.61 -0.87 0.00 0.00 176.83 176.89 1i0x n GLY 65 N -0.02 0.51 3.84 -0.77 0.00 -1.00 -5.08 105.19 102.67 1i0x n GLY 65 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.04 6.23 -0.07 1.61 1.01 -1.26 -5.02 116.67 117.13 1i0x s ASP 66 Ca 0.00 1.60 -0.16 0.00 0.71 0.00 0.00 52.55 54.70 1i0x s ASP 66 Cb 0.00 -2.50 -0.05 0.00 1.01 0.00 0.00 42.92 41.38 1i0x s ASP 66 CO 0.00 -0.86 0.41 -0.69 0.21 0.00 0.00 175.17 174.24 1i0x s VAL 67 N -2.74 5.13 0.29 -1.27 1.01 -1.26 -4.13 120.40 117.43 1i0x s VAL 67 Ca 0.59 0.82 -0.30 0.00 0.00 0.00 0.00 61.98 63.09 1i0x s VAL 67 Cb -0.12 -3.73 -0.11 0.00 0.00 0.00 0.00 36.38 32.42 1i0x s VAL 67 CO 0.40 0.47 1.61 -0.47 0.00 0.00 0.00 175.10 177.10 1i0x s TYR 68 N -0.26 2.73 0.00 5.22 5.04 -1.26 -4.91 117.35 123.90 1i0x s TYR 68 Ca 0.23 0.75 0.08 0.00 -2.44 0.00 0.00 57.07 55.69 1i0x s TYR 68 Cb -0.15 -4.09 0.13 0.00 0.35 0.00 0.00 41.96 38.19 1i0x s TYR 68 CO 0.11 -3.68 1.02 -1.13 -1.34 0.00 0.00 175.55 170.52 1i0x n SER 69 N 2.21 0.26 0.00 4.32 3.41 -1.26 -5.01 113.62 117.56 1i0x n SER 69 Ca 0.08 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.76 1i0x n SER 69 Cb 0.37 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 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 0.15 1.65 0.00 5.00 0.00 -1.26 -4.77 105.19 105.96 1i0x n GLY 70 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 0.90 3.71 -0.02 0.00 -1.26 -4.06 105.19 104.46 1i0x n GLY 71 Ca 0.00 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 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 6.84 0.09 1.61 0.15 -1.26 -4.86 113.70 115.27 1i0x s SER 72 Ca 0.00 2.25 0.27 0.00 0.70 0.00 0.00 55.95 59.17 1i0x s SER 72 Cb 0.00 -2.58 0.91 0.00 -1.71 0.00 0.00 66.02 62.64 1i0x s SER 72 CO 0.00 -0.67 1.75 -0.81 1.20 0.00 0.00 173.24 174.71 1i0x n PRO 73 N 4.39 0.12 0.00 5.44 -0.04 -1.26 -5.03 135.00 138.62 1i0x n PRO 73 Ca 0.12 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 1i0x n PRO 73 Cb 0.43 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 1i0x n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1i0x n GLY 74 N 1.42 -0.45 0.01 0.55 0.00 -1.26 -4.40 105.19 101.06 1i0x n GLY 74 Ca 0.06 -1.10 0.11 0.00 0.00 0.00 0.00 46.02 45.09 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 1.94 3.08 -2.55 4.61 0.00 -1.26 -4.99 120.51 121.34 1i0x n ALA 75 Ca 0.00 -0.52 -0.35 0.00 0.00 0.00 0.00 53.44 52.57 1i0x n ALA 75 Cb 0.00 -0.77 -0.06 0.00 0.00 0.00 0.00 19.45 18.63 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 -4.32 6.67 0.01 0.00 1.01 -1.26 -0.87 116.67 117.91 1i0x s ASP 76 Ca -0.05 0.83 -0.01 0.00 0.71 0.00 0.00 52.55 54.03 1i0x s ASP 76 Cb 0.14 -2.19 -0.01 0.00 1.01 0.00 0.00 42.92 41.86 1i0x s ASP 76 CO 0.90 0.19 -0.00 -0.13 0.21 0.00 0.00 175.17 176.34 1i0x s ARG 77 N -1.79 0.27 -0.03 8.23 1.81 0.28 -1.89 118.95 125.82 1i0x s ARG 77 Ca 0.32 -0.46 -0.00 0.00 -1.72 0.00 0.00 55.73 53.87 1i0x s ARG 77 Cb -0.14 0.10 -0.04 0.00 -0.45 0.00 0.00 34.95 34.42 1i0x s ARG 77 CO 0.17 -0.05 0.03 0.14 -0.68 0.00 0.00 175.30 174.91 1i0x s VAL 78 N -1.15 4.39 -0.16 3.52 -7.23 0.81 -1.08 120.40 119.50 1i0x s VAL 78 Ca -0.13 -0.42 0.02 0.00 -1.81 0.00 0.00 61.98 59.64 1i0x s VAL 78 Cb -0.08 -2.93 0.01 0.00 0.56 0.00 0.00 36.38 33.94 1i0x s VAL 78 CO -0.01 0.45 -0.20 -0.69 -0.31 0.00 0.00 175.10 174.34 1i0x s VAL 79 N -1.05 2.17 0.20 1.32 1.01 0.38 -0.92 120.40 123.52 1i0x s VAL 79 Ca 0.18 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.29 1i0x s VAL 79 Cb -0.12 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 1i0x s VAL 79 CO 0.08 0.54 -0.08 0.72 0.00 0.00 0.00 175.10 176.37 1i0x s PHE 80 N 0.98 1.54 0.54 5.22 -0.12 -0.63 0.25 117.98 125.76 1i0x s PHE 80 Ca -0.03 -0.76 0.07 0.00 -0.05 0.00 0.00 56.93 56.17 1i0x s PHE 80 Cb -0.15 -0.81 0.05 0.00 -0.63 0.00 0.00 43.02 41.48 1i0x s PHE 80 CO -0.05 0.14 0.55 0.54 -0.05 0.00 0.00 175.22 176.34 1i0x s ASN 81 N -3.28 4.85 0.00 1.98 2.20 -0.44 -0.61 114.94 119.65 1i0x s ASN 81 Ca 0.23 -1.05 0.15 0.00 -0.94 0.00 0.00 52.86 51.25 1i0x s ASN 81 Cb 0.03 0.28 0.74 0.00 -2.00 0.00 0.00 41.25 40.30 1i0x s ASN 81 CO 0.06 -1.15 1.39 -1.84 -2.94 0.00 0.00 177.10 172.62 1i0x n GLU 82 N -1.93 0.23 -0.20 3.55 0.28 -1.17 -1.57 120.64 119.83 1i0x n GLU 82 Ca 0.05 0.14 0.07 0.00 -0.16 0.00 0.00 57.16 57.26 1i0x n GLU 82 Cb 0.63 -1.50 0.19 0.00 1.43 0.00 0.00 31.44 32.19 1i0x n GLU 82 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1i0x n ASN 83 N -1.26 2.11 -3.57 -1.84 3.02 -1.26 -4.89 115.26 107.56 1i0x n ASN 83 Ca 0.07 -1.98 -0.24 0.00 -0.03 0.00 0.00 54.58 52.39 1i0x n ASN 83 Cb 0.11 -0.26 0.07 0.00 -0.61 0.00 0.00 39.78 39.10 1i0x n ASN 83 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1i0x n ASN 84 N 0.65 -6.30 -4.56 6.41 5.15 -0.61 -4.99 115.26 111.01 1i0x n ASN 84 Ca 0.13 -0.53 -0.34 0.00 -0.60 0.00 0.00 54.58 53.24 1i0x n ASN 84 Cb 0.34 -4.97 -0.11 0.00 -0.53 0.00 0.00 39.78 34.51 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 -6.29 2.97 0.01 1.20 -0.21 -1.25 -4.94 119.66 111.15 1i0x s GLN 85 Ca 0.57 -0.54 -0.30 0.00 0.02 0.00 0.00 55.36 55.11 1i0x s GLN 85 Cb -0.25 -2.67 -0.05 0.00 1.00 0.00 0.00 33.01 31.04 1i0x s GLN 85 CO 0.71 0.57 1.23 -1.17 -2.12 0.00 0.00 175.29 174.51 1i0x s LEU 86 N -0.54 4.33 -0.20 2.90 2.96 -1.26 -1.33 118.68 125.54 1i0x s LEU 86 Ca 0.08 1.96 -0.06 0.00 -0.22 0.00 0.00 54.13 55.89 1i0x s LEU 86 Cb -0.12 -3.57 -0.20 0.00 0.50 0.00 0.00 46.19 42.80 1i0x s LEU 86 CO 0.02 -0.55 0.05 0.00 -1.32 0.00 0.00 176.35 174.55 1i0x n ALA 87 N 4.62 1.10 0.00 5.97 0.00 0.14 -4.86 120.51 127.49 1i0x n ALA 87 Ca 0.10 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1i0x n ALA 87 Cb 0.46 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.54 1i0x n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i0x n GLY 88 N 1.93 -0.40 3.08 0.00 0.00 -0.89 -4.71 105.19 104.19 1i0x n GLY 88 Ca -0.40 -1.03 -0.31 0.00 0.00 0.00 0.00 46.02 44.28 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 1.79 0.29 1.61 1.01 -1.26 -0.47 120.40 121.37 1i0x s VAL 89 Ca 0.00 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.24 1i0x s VAL 89 Cb 0.00 -1.64 -0.06 0.00 0.00 0.00 0.00 36.38 34.68 1i0x s VAL 89 CO 0.00 0.50 0.01 0.27 0.00 0.00 0.00 175.10 175.88 1i0x s ILE 90 N 1.28 1.26 0.01 2.22 -4.36 -0.24 -1.23 121.20 120.14 1i0x s ILE 90 Ca 0.02 -2.04 -0.15 0.00 -0.26 0.00 0.00 60.65 58.23 1i0x s ILE 90 Cb -0.13 -2.59 0.02 0.00 1.25 0.00 0.00 42.46 41.00 1i0x s ILE 90 CO -0.10 -0.16 0.31 0.28 0.24 0.00 0.00 174.94 175.52 1i0x s THR 91 N -3.26 0.07 -0.28 8.37 -1.32 -0.05 -0.56 115.64 118.60 1i0x s THR 91 Ca 0.33 -0.56 0.19 0.00 -1.21 0.00 0.00 61.69 60.44 1i0x s THR 91 Cb 0.07 -0.76 0.19 0.00 -1.51 0.00 0.00 72.50 70.50 1i0x s THR 91 CO 0.13 -0.31 1.53 0.45 -2.21 0.00 0.00 174.62 174.21 1i0x h HIS 92 N 3.58 0.00 -2.51 9.09 3.86 -1.17 -0.72 115.15 127.28 1i0x h HIS 92 Ca -0.30 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.38 1i0x h HIS 92 Cb 1.19 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.69 1i0x h HIS 92 CO 0.49 0.27 1.13 0.99 0.86 0.00 0.00 177.93 181.67 1i0x s THR 93 N -3.09 2.73 0.00 2.45 2.01 -1.26 -1.58 115.64 116.90 1i0x s THR 93 Ca 0.05 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.15 1i0x s THR 93 Cb 0.06 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.51 1i0x s THR 93 CO 0.71 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.25 1i0x n GLY 94 N 4.29 0.83 3.86 4.40 0.00 -1.26 -4.73 105.19 112.58 1i0x n GLY 94 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.23 3.84 0.40 4.61 0.00 -0.62 -4.98 121.76 121.77 1i0x s ALA 95 Ca 0.00 -0.65 -0.24 0.00 0.00 0.00 0.00 51.96 51.07 1i0x s ALA 95 Cb 0.00 -1.95 -0.09 0.00 0.00 0.00 0.00 23.12 21.08 1i0x s ALA 95 CO 0.00 0.59 1.04 -1.12 0.00 0.00 0.00 175.76 176.28 1i0x s SER 96 N -0.95 6.79 -1.96 0.00 0.01 -1.26 -3.50 113.70 112.83 1i0x s SER 96 Ca 0.15 2.02 0.00 0.00 1.31 0.00 0.00 55.95 59.42 1i0x s SER 96 Cb -0.12 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1i0x s SER 96 CO 0.04 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 173.83 1i0x n GLY 97 N 0.33 0.92 2.88 3.44 0.00 -1.26 -2.11 105.19 109.39 1i0x n GLY 97 Ca 0.05 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 1i0x n GLY 97 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1i0x n ASN 98 N -1.50 -5.76 -2.25 1.61 4.05 -1.23 -5.00 115.26 105.19 1i0x n ASN 98 Ca -0.22 -0.21 0.00 0.00 0.45 0.00 0.00 54.58 54.60 1i0x n ASN 98 Cb 0.67 -4.70 0.00 0.00 1.23 0.00 0.00 39.78 36.98 1i0x n ASN 98 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1i0x n ASN 99 N -2.35 0.00 -4.33 1.20 4.13 -0.90 -4.94 115.26 108.07 1i0x n ASN 99 Ca -0.14 0.00 -0.21 0.00 1.68 0.00 0.00 54.58 55.91 1i0x n ASN 99 Cb 0.63 0.00 -0.11 0.00 -1.54 0.00 0.00 39.78 38.76 1i0x n ASN 99 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1i0x s PHE 100 N 0.65 1.78 0.10 3.10 0.08 -1.26 -4.18 117.98 118.25 1i0x s PHE 100 Ca 0.00 -0.48 0.01 0.00 0.12 0.00 0.00 56.93 56.57 1i0x s PHE 100 Cb 0.00 -0.88 -0.04 0.00 -0.57 0.00 0.00 43.02 41.52 1i0x s PHE 100 CO 0.00 0.32 -0.04 0.14 -0.10 0.00 0.00 175.22 175.54 1i0x s VAL 101 N -2.15 0.54 0.36 -0.44 -7.23 -0.28 -4.93 120.40 106.27 1i0x s VAL 101 Ca 0.16 -1.91 -0.25 0.00 -1.81 0.00 0.00 61.98 58.17 1i0x s VAL 101 Cb -0.05 -1.72 -0.10 0.00 0.56 0.00 0.00 36.38 35.07 1i0x s VAL 101 CO 0.06 -0.83 0.98 -1.83 -0.31 0.00 0.00 175.10 173.17 1i0x s GLU 102 N -3.88 4.43 -0.54 4.82 1.03 -1.26 -0.87 118.70 122.42 1i0x s GLU 102 Ca 0.13 1.36 -0.22 0.00 0.03 0.00 0.00 54.97 56.27 1i0x s GLU 102 Cb 0.06 -2.65 0.05 0.00 -0.80 0.00 0.00 34.13 30.79 1i0x s GLU 102 CO -0.05 0.12 0.81 0.00 -1.33 0.00 0.00 175.26 174.82