#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2brs s TYR 4 N 0.00 0.76 0.07 -1.55 -0.85 -1.26 -1.63 117.35 112.89 2brs s TYR 4 Ca 0.00 -1.06 -0.18 0.00 -0.52 0.00 0.00 57.07 55.31 2brs s TYR 4 Cb 0.00 -0.21 0.04 0.00 0.38 0.00 0.00 41.96 42.17 2brs s TYR 4 CO 0.00 -0.79 0.43 -0.48 -1.52 0.00 0.00 175.55 173.19 2brs s LEU 5 N -3.08 0.32 -0.09 -3.49 0.05 0.14 -4.95 118.68 107.58 2brs s LEU 5 Ca 0.30 -0.07 -0.14 0.00 0.05 0.00 0.00 54.13 54.27 2brs s LEU 5 Cb 0.04 1.84 -0.05 0.00 -2.05 0.00 0.00 46.19 45.96 2brs s LEU 5 CO 0.09 -0.73 0.35 -0.22 -0.55 0.00 0.00 176.35 175.30 2brs s LEU 6 N -2.24 4.35 -0.26 1.48 2.96 -1.26 -1.21 118.68 122.49 2brs s LEU 6 Ca -0.03 0.73 -0.02 0.00 -0.22 0.00 0.00 54.13 54.59 2brs s LEU 6 Cb -0.00 -2.48 0.03 0.00 0.50 0.00 0.00 46.19 44.24 2brs s LEU 6 CO -0.05 0.19 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.44 2brs s VAL 7 N -0.21 2.92 -2.00 1.68 1.01 -0.05 -4.99 120.40 118.76 2brs s VAL 7 Ca 0.21 -1.11 0.27 0.00 0.00 0.00 0.00 61.98 61.34 2brs s VAL 7 Cb -0.15 -2.53 0.76 0.00 0.00 0.00 0.00 36.38 34.46 2brs s VAL 7 CO 0.08 0.12 1.96 0.54 0.00 0.00 0.00 175.10 177.80 2brs n ARG 8 N 4.66 0.86 -2.56 2.72 1.74 -1.26 -2.04 116.66 120.78 2brs n ARG 8 Ca -0.16 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.54 2brs n ARG 8 Cb 0.46 -1.48 -0.05 0.00 -1.02 0.00 0.00 32.46 30.37 2brs n ARG 8 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2brs s SER 9 N -1.97 7.15 -0.32 0.55 0.15 -1.26 -4.79 113.70 113.20 2brs s SER 9 Ca 0.40 2.11 -0.20 0.00 0.70 0.00 0.00 55.95 58.96 2brs s SER 9 Cb 0.18 -2.61 -0.00 0.00 -1.71 0.00 0.00 66.02 61.88 2brs s SER 9 CO 0.31 -0.22 0.63 -0.76 1.20 0.00 0.00 173.24 174.41 2brs s LEU 10 N -1.87 4.18 0.10 3.45 1.43 -1.26 -3.76 118.68 120.95 2brs s LEU 10 Ca 0.49 0.33 -0.05 0.00 -1.03 0.00 0.00 54.13 53.87 2brs s LEU 10 Cb -0.27 -2.81 -0.02 0.00 0.03 0.00 0.00 46.19 43.12 2brs s LEU 10 CO 0.34 -0.52 0.12 -1.10 0.23 0.00 0.00 176.35 175.41 2brs s GLN 11 N 2.65 0.87 0.80 1.70 -0.21 -0.44 -4.64 119.66 120.38 2brs s GLN 11 Ca 0.25 -1.19 -0.12 0.00 0.02 0.00 0.00 55.36 54.32 2brs s GLN 11 Cb -0.15 0.29 0.07 0.00 1.00 0.00 0.00 33.01 34.22 2brs s GLN 11 CO 0.13 -0.26 1.13 0.95 -2.12 0.00 0.00 175.29 175.12 2brs s THR 12 N -3.94 2.69 0.13 -0.19 -4.23 -1.25 -0.08 115.64 108.77 2brs s THR 12 Ca 0.13 0.23 -0.24 0.00 -1.18 0.00 0.00 61.69 60.62 2brs s THR 12 Cb 0.06 -3.11 -0.02 0.00 1.34 0.00 0.00 72.50 70.77 2brs s THR 12 CO -0.05 -0.29 1.64 0.15 -0.54 0.00 0.00 174.62 175.52 2brs h PHE 13 N -1.04 -0.62 -0.75 3.99 3.57 -1.53 -0.95 116.94 119.61 2brs h PHE 13 Ca -0.47 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.09 2brs h PHE 13 Cb 1.29 0.29 -0.05 0.00 2.79 0.00 0.00 35.95 40.28 2brs h PHE 13 CO 0.40 -0.32 0.47 1.03 -2.23 0.00 0.00 178.31 177.67 2brs h SER 14 N -0.31 0.78 -0.21 0.41 0.87 -1.93 -0.53 113.55 112.63 2brs h SER 14 Ca 0.09 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 2brs h SER 14 Cb 0.44 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 2brs h SER 14 CO -0.28 0.54 0.08 1.56 -0.53 0.00 0.00 176.83 178.20 2brs h GLN 15 N 0.93 0.31 -1.00 2.24 4.20 -1.85 -2.83 115.11 117.11 2brs h GLN 15 Ca 0.30 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.98 2brs h GLN 15 Cb 0.01 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 27.68 2brs h GLN 15 CO -0.11 0.39 0.66 0.00 -0.67 0.00 0.00 178.83 179.10 2brs h ALA 16 N 0.91 1.34 -0.52 3.87 0.00 -0.85 -1.13 119.26 122.88 2brs h ALA 16 Ca 0.07 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.02 2brs h ALA 16 Cb 0.20 -0.36 -0.08 0.00 0.00 0.00 0.00 17.79 17.55 2brs h ALA 16 CO -0.00 0.56 0.08 2.35 0.00 0.00 0.00 179.25 182.23 2brs h TRP 17 N 1.27 0.12 -0.24 0.00 7.01 -0.87 -1.12 115.95 122.11 2brs h TRP 17 Ca 0.40 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.40 2brs h TRP 17 Cb -0.00 0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.08 2brs h TRP 17 CO -0.00 -0.04 0.03 0.35 -2.79 0.00 0.00 178.44 175.99 2brs h PHE 18 N 0.21 0.44 -0.86 2.65 3.57 -1.17 -3.10 116.94 118.67 2brs h PHE 18 Ca 0.26 -0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.72 2brs h PHE 18 Cb 0.37 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 38.95 2brs h PHE 18 CO -0.25 0.55 0.56 1.15 -2.23 0.00 0.00 178.31 178.09 2brs h THR 19 N 0.20 1.17 -0.59 4.41 2.02 -0.61 0.33 112.91 119.84 2brs h THR 19 Ca 0.07 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 2brs h THR 19 Cb 0.35 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.69 2brs h THR 19 CO 0.01 0.20 0.34 0.00 0.37 0.00 0.00 175.52 176.44 2brs h ARG 21 N 0.80 0.75 0.16 0.00 3.08 -1.36 -1.10 114.38 116.71 2brs h ARG 21 Ca 0.21 -0.49 -0.27 0.00 0.07 0.00 0.00 59.98 59.50 2brs h ARG 21 Cb 0.02 0.06 0.02 0.00 0.08 0.00 0.00 29.97 30.15 2brs h ARG 21 CO -0.04 1.12 -1.27 0.00 -1.07 0.00 0.00 179.97 178.71 2brs h ARG 22 N 0.49 0.34 0.00 0.04 2.47 -0.90 -2.32 114.38 114.51 2brs h ARG 22 Ca 0.01 -0.59 -0.21 0.00 -1.26 0.00 0.00 59.98 57.93 2brs h ARG 22 Cb 1.10 0.22 -0.03 0.00 -1.65 0.00 0.00 29.97 29.61 2brs h ARG 22 CO 0.11 1.28 -1.02 0.00 0.56 0.00 0.00 179.97 180.90 2brs n TYR 24 N -3.29 0.00 -3.52 0.00 4.02 -1.07 -5.00 117.16 108.30 2brs n TYR 24 Ca -0.02 -0.11 -0.25 0.00 -0.01 0.00 0.00 57.90 57.51 2brs n TYR 24 Cb 0.93 -0.01 0.05 0.00 -0.02 0.00 0.00 39.34 40.28 2brs n TYR 24 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2brs n ARG 25 N -0.11 -6.13 0.00 -0.72 1.74 -0.87 -4.86 116.66 105.71 2brs n ARG 25 Ca 0.00 0.76 0.00 0.00 -0.77 0.00 0.00 57.85 57.84 2brs n ARG 25 Cb 0.12 -5.69 0.00 0.00 -1.02 0.00 0.00 32.46 25.87 2brs n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2brs n GLY 26 N -1.73 5.45 3.37 -0.13 0.00 -0.44 -4.91 105.19 106.79 2brs n GLY 26 Ca -0.01 -1.21 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 2brs n GLY 26 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2brs s ASN 27 N 1.00 -0.15 0.43 1.61 0.02 -0.91 -3.14 114.94 113.79 2brs s ASN 27 Ca 0.00 -0.50 -0.26 0.00 -1.02 0.00 0.00 52.86 51.08 2brs s ASN 27 Cb 0.00 0.48 -0.09 0.00 0.02 0.00 0.00 41.25 41.66 2brs s ASN 27 CO 0.00 -0.91 1.45 -0.76 0.02 0.00 0.00 177.10 176.91 2brs s LEU 28 N -2.86 4.18 0.54 0.60 1.43 -1.26 -0.43 118.68 120.88 2brs s LEU 28 Ca 0.07 2.98 -0.21 0.00 -1.03 0.00 0.00 54.13 55.95 2brs s LEU 28 Cb 0.02 -3.84 -0.05 0.00 0.03 0.00 0.00 46.19 42.34 2brs s LEU 28 CO -0.07 -1.09 1.25 0.54 0.23 0.00 0.00 176.35 177.21 2brs s VAL 29 N -1.17 2.55 0.02 -1.59 0.11 -0.74 -4.33 120.40 115.24 2brs s VAL 29 Ca 0.58 0.39 0.09 0.00 -2.93 0.00 0.00 61.98 60.11 2brs s VAL 29 Cb -0.45 -3.18 -0.03 0.00 -1.53 0.00 0.00 36.38 31.19 2brs s VAL 29 CO 0.59 -0.03 -0.26 -0.94 -3.33 0.00 0.00 175.10 171.13 2brs s SER 30 N -1.29 3.17 -0.13 3.54 1.04 -1.26 -0.64 113.70 118.12 2brs s SER 30 Ca 0.72 -0.52 0.02 0.00 0.48 0.00 0.00 55.95 56.64 2brs s SER 30 Cb -0.34 -0.34 0.01 0.00 0.10 0.00 0.00 66.02 65.46 2brs s SER 30 CO 0.39 0.29 -0.19 -0.63 0.98 0.00 0.00 173.24 174.08 2brs s ILE 31 N -0.73 1.82 -0.70 -1.02 1.01 -1.26 -5.03 121.20 115.30 2brs s ILE 31 Ca 0.11 -0.83 0.07 0.00 0.00 0.00 0.00 60.65 60.00 2brs s ILE 31 Cb -0.10 -1.64 0.16 0.00 0.01 0.00 0.00 42.46 40.89 2brs s ILE 31 CO 0.01 0.50 1.04 1.41 0.00 0.00 0.00 174.94 177.90 2brs n HIS 32 N 4.22 0.21 -3.54 3.97 8.25 -1.26 -4.53 115.22 122.54 2brs n HIS 32 Ca -0.19 -0.35 -0.07 0.00 -0.26 0.00 0.00 57.72 56.84 2brs n HIS 32 Cb 0.51 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.58 2brs n HIS 32 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2brs s ASN 33 N -0.88 -0.29 0.55 0.41 2.20 -1.26 -4.63 114.94 111.03 2brs s ASN 33 Ca 0.13 0.02 0.26 0.00 -0.94 0.00 0.00 52.86 52.33 2brs s ASN 33 Cb 0.07 0.30 1.57 0.00 -2.00 0.00 0.00 41.25 41.20 2brs s ASN 33 CO 0.10 -0.48 2.16 0.15 -2.94 0.00 0.00 177.10 176.09 2brs h PHE 34 N 2.03 0.00 0.30 1.54 3.57 -1.96 -2.68 116.94 119.74 2brs h PHE 34 Ca -0.18 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.31 2brs h PHE 34 Cb 1.21 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.96 2brs h PHE 34 CO 0.27 0.05 -0.14 -0.97 -2.23 0.00 0.00 178.31 175.29 2brs h ASN 35 N 0.00 -0.34 -0.36 0.41 -0.73 -1.99 -1.06 115.58 111.51 2brs h ASN 35 Ca -0.00 -0.15 -0.06 0.00 1.87 0.00 0.00 56.30 57.96 2brs h ASN 35 Cb 0.13 0.09 -0.02 0.00 0.27 0.00 0.00 38.32 38.79 2brs h ASN 35 CO 0.01 -0.03 0.02 0.40 -0.37 0.00 0.00 177.43 177.45 2brs h ILE 36 N -0.66 1.23 -0.18 2.57 1.08 -1.98 -1.66 117.51 117.91 2brs h ILE 36 Ca -0.04 -0.92 0.02 0.00 -0.39 0.00 0.00 64.86 63.53 2brs h ILE 36 Cb 0.46 0.87 -0.02 0.00 -3.07 0.00 0.00 36.82 35.07 2brs h ILE 36 CO 0.07 0.32 0.05 -1.13 -0.69 0.00 0.00 178.15 176.77 2brs h ASN 37 N 0.68 0.06 -0.67 1.72 -1.24 -1.35 -0.15 115.58 114.63 2brs h ASN 37 Ca 0.14 0.02 -0.04 0.00 0.71 0.00 0.00 56.30 57.13 2brs h ASN 37 Cb 0.39 0.01 -0.03 0.00 0.73 0.00 0.00 38.32 39.43 2brs h ASN 37 CO 0.01 0.06 0.26 0.22 -1.29 0.00 0.00 177.43 176.69 2brs h TYR 38 N 0.14 1.03 -0.44 0.67 3.20 -0.95 -0.44 116.97 120.18 2brs h TYR 38 Ca 0.08 -0.08 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 2brs h TYR 38 Cb 0.05 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 37.99 2brs h TYR 38 CO -0.12 0.81 0.21 0.00 -1.64 0.00 0.00 178.16 177.42 2brs h ARG 39 N 0.96 0.64 -0.65 1.82 3.08 -0.89 0.27 114.38 119.60 2brs h ARG 39 Ca 0.22 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.15 2brs h ARG 39 Cb 0.22 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 2brs h ARG 39 CO -0.02 0.55 0.30 0.82 -1.07 0.00 0.00 179.97 180.56 2brs h ILE 40 N 0.57 1.23 -0.41 2.04 2.04 -0.85 -1.47 117.51 120.66 2brs h ILE 40 Ca 0.15 -0.65 0.07 0.00 1.00 0.00 0.00 64.86 65.43 2brs h ILE 40 Cb 0.13 0.45 -0.06 0.00 -0.74 0.00 0.00 36.82 36.60 2brs h ILE 40 CO -0.02 0.27 0.05 -0.61 0.00 0.00 0.00 178.15 177.84 2brs h GLN 41 N 0.91 0.16 -0.72 2.37 4.15 -0.43 -1.93 115.11 119.61 2brs h GLN 41 Ca 0.22 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.59 2brs h GLN 41 Cb 0.14 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.76 2brs h GLN 41 CO -0.03 0.11 0.27 0.00 -1.93 0.00 0.00 178.83 177.25 2brs h SER 43 N 1.05 0.00 -0.31 0.00 0.02 -0.55 -2.44 113.55 111.33 2brs h SER 43 Ca 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2brs h SER 43 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2brs h SER 43 CO -0.02 0.02 0.00 1.33 -1.14 0.00 0.00 176.83 177.02 2brs n VAL 44 N -3.32 0.79 0.32 2.27 0.24 -0.83 -4.41 118.33 113.39 2brs n VAL 44 Ca -0.02 -0.89 0.21 0.00 -2.04 0.00 0.00 64.34 61.59 2brs n VAL 44 Cb 0.13 0.66 1.08 0.00 -1.47 0.00 0.00 33.84 34.24 2brs n VAL 44 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2brs h SER 45 N 2.27 0.00 -0.20 -1.34 4.64 -0.97 -1.01 113.55 116.94 2brs h SER 45 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 2brs h SER 45 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 2brs h SER 45 CO 0.00 0.01 -0.51 0.00 -0.87 0.00 0.00 176.83 175.46 2brs h ALA 46 N 1.99 0.34 -1.18 5.18 0.00 -1.78 -3.45 119.26 120.35 2brs h ALA 46 Ca -0.00 -0.50 -0.75 0.00 0.00 0.00 0.00 54.91 53.66 2brs h ALA 46 Cb 0.10 -0.05 0.06 0.00 0.00 0.00 0.00 17.79 17.90 2brs h ALA 46 CO 0.00 0.52 0.11 1.28 0.00 0.00 0.00 179.25 181.17 2brs n LEU 47 N -4.13 0.33 -0.08 0.00 4.77 -0.38 -4.81 117.00 112.69 2brs n LEU 47 Ca -0.06 1.15 0.15 0.00 -0.03 0.00 0.00 56.01 57.21 2brs n LEU 47 Cb 0.60 -0.99 0.69 0.00 -2.33 0.00 0.00 43.42 41.39 2brs n LEU 47 CO 0.48 -1.77 0.94 0.59 -1.33 0.00 0.00 177.39 176.30 2brs n ASN 48 N 1.78 0.33 -4.88 -1.43 3.02 -1.26 -4.81 115.26 108.00 2brs n ASN 48 Ca 0.19 -0.56 -0.25 0.00 -0.03 0.00 0.00 54.58 53.94 2brs n ASN 48 Cb 0.12 -0.11 0.07 0.00 -0.61 0.00 0.00 39.78 39.25 2brs n ASN 48 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2brs s GLN 49 N -2.41 2.16 0.02 3.52 1.11 -1.26 -5.01 119.66 117.78 2brs s GLN 49 Ca 0.32 -0.46 0.22 0.00 0.01 0.00 0.00 55.36 55.45 2brs s GLN 49 Cb 0.20 -2.24 -0.08 0.00 -1.01 0.00 0.00 33.01 29.89 2brs s GLN 49 CO 0.45 -1.19 0.92 0.41 0.01 0.00 0.00 175.29 175.89 2brs n GLY 50 N -2.82 -1.11 3.48 3.09 0.00 -1.26 -4.77 105.19 101.81 2brs n GLY 50 Ca 0.09 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 2brs n GLY 50 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2brs s GLN 51 N -3.17 1.02 0.11 1.61 -2.07 -1.26 -1.64 119.66 114.26 2brs s GLN 51 Ca 0.04 -0.22 0.03 0.00 -1.82 0.00 0.00 55.36 53.39 2brs s GLN 51 Cb 0.15 0.47 -0.04 0.00 -1.09 0.00 0.00 33.01 32.51 2brs s GLN 51 CO 0.83 -0.42 -0.09 0.14 -1.32 0.00 0.00 175.29 174.44 2brs s VAL 52 N -2.82 0.93 0.35 3.63 -7.23 -0.78 -4.34 120.40 110.14 2brs s VAL 52 Ca -0.00 -1.80 -0.25 0.00 -1.81 0.00 0.00 61.98 58.12 2brs s VAL 52 Cb -0.01 -1.53 -0.10 0.00 0.56 0.00 0.00 36.38 35.30 2brs s VAL 52 CO -0.06 -0.67 0.98 0.26 -0.31 0.00 0.00 175.10 175.30 2brs s TRP 53 N -2.91 3.55 0.41 2.82 0.23 -0.69 -0.84 118.94 121.51 2brs s TRP 53 Ca 0.09 1.73 0.03 0.00 -2.03 0.00 0.00 56.10 55.93 2brs s TRP 53 Cb 0.00 -2.99 -0.03 0.00 0.03 0.00 0.00 33.47 30.48 2brs s TRP 53 CO -0.01 -0.07 0.09 0.96 0.96 0.00 0.00 176.95 178.88 2brs s ILE 54 N -1.64 0.89 -0.72 2.03 -4.36 -1.02 -2.39 121.20 114.00 2brs s ILE 54 Ca 0.53 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.92 2brs s ILE 54 Cb -0.20 -2.45 0.00 0.00 1.25 0.00 0.00 42.46 41.06 2brs s ILE 54 CO 0.25 0.00 0.49 0.61 0.24 0.00 0.00 174.94 176.53 2brs n GLY 55 N -0.92 1.25 3.86 6.27 0.00 0.19 -4.68 105.19 111.17 2brs n GLY 55 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 2brs n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2brs s GLY 56 N 0.11 2.37 -0.14 -0.02 0.00 -1.26 -1.44 107.32 106.94 2brs s GLY 56 Ca 0.00 -0.27 -0.14 0.00 0.00 0.00 0.00 44.72 44.31 2brs s GLY 56 CO 0.00 -0.05 0.40 -1.60 0.00 0.00 0.00 173.10 171.86 2brs s ARG 57 N -2.10 0.50 -0.38 2.90 3.52 -0.51 -1.95 118.95 120.92 2brs s ARG 57 Ca 0.38 0.50 -0.12 0.00 -0.13 0.00 0.00 55.73 56.36 2brs s ARG 57 Cb -0.14 0.24 0.02 0.00 -1.56 0.00 0.00 34.95 33.51 2brs s ARG 57 CO 0.19 -0.07 0.23 0.42 -0.81 0.00 0.00 175.30 175.27 2brs s ILE 58 N 0.08 4.79 0.57 4.11 1.01 -0.12 -1.18 121.20 130.47 2brs s ILE 58 Ca -0.01 -0.77 0.06 0.00 0.00 0.00 0.00 60.65 59.93 2brs s ILE 58 Cb -0.03 -3.66 0.06 0.00 0.01 0.00 0.00 42.46 38.84 2brs s ILE 58 CO 0.01 -0.24 0.49 0.42 0.00 0.00 0.00 174.94 175.62 2brs s THR 59 N 1.60 1.60 0.00 2.92 -4.23 -0.86 -4.84 115.64 111.82 2brs s THR 59 Ca 0.03 -1.40 0.00 0.00 -1.18 0.00 0.00 61.69 59.14 2brs s THR 59 Cb -0.19 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 71.64 2brs s THR 59 CO 0.08 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.77 2brs n GLY 60 N -1.91 2.98 3.21 3.99 0.00 -1.26 -3.21 105.19 108.99 2brs n GLY 60 Ca 0.01 -1.95 -0.23 0.00 0.00 0.00 0.00 46.02 43.86 2brs n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2brs s SER 61 N 0.00 2.13 0.40 1.61 0.01 -1.25 -5.01 113.70 111.59 2brs s SER 61 Ca 0.00 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.74 2brs s SER 61 Cb 0.00 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.08 2brs s SER 61 CO 0.00 0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.35 2brs n GLY 62 N 1.73 1.02 0.14 3.44 0.00 -1.26 -4.04 105.19 106.22 2brs n GLY 62 Ca -0.18 -0.76 -0.22 0.00 0.00 0.00 0.00 46.02 44.86 2brs n GLY 62 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2brs h ARG 63 N 0.00 0.30 -6.42 1.61 3.08 -2.02 -3.46 114.38 107.47 2brs h ARG 63 Ca 0.00 -0.52 -0.54 0.00 0.07 0.00 0.00 59.98 58.99 2brs h ARG 63 Cb 0.00 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2brs h ARG 63 CO 0.00 1.25 0.52 0.00 -1.07 0.00 0.00 179.97 180.67 2brs n ARG 65 N 4.19 1.87 -3.65 0.00 5.12 -1.26 -3.86 116.66 119.07 2brs n ARG 65 Ca 0.08 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.98 2brs n ARG 65 Cb 0.48 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.72 2brs n ARG 65 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 2brs s ARG 66 N 1.02 0.03 -0.22 5.56 1.70 -1.20 -4.97 118.95 120.88 2brs s ARG 66 Ca 0.00 0.02 -0.07 0.00 -0.47 0.00 0.00 55.73 55.21 2brs s ARG 66 Cb 0.00 0.01 -0.04 0.00 -0.57 0.00 0.00 34.95 34.36 2brs s ARG 66 CO 0.00 -0.01 0.07 -0.06 -1.08 0.00 0.00 175.30 174.23 2brs s PHE 67 N -0.29 3.16 0.17 5.89 0.40 -1.26 -2.04 117.98 124.01 2brs s PHE 67 Ca 0.08 -0.15 0.04 0.00 -0.60 0.00 0.00 56.93 56.30 2brs s PHE 67 Cb -0.04 -2.17 -0.05 0.00 0.51 0.00 0.00 43.02 41.28 2brs s PHE 67 CO -0.14 -0.11 -0.08 -0.65 0.70 0.00 0.00 175.22 174.95 2brs s GLN 68 N 1.03 1.13 -0.16 0.44 -0.21 -0.33 -4.78 119.66 116.79 2brs s GLN 68 Ca 0.04 -1.51 -0.05 0.00 0.02 0.00 0.00 55.36 53.86 2brs s GLN 68 Cb -0.14 -0.62 -0.04 0.00 1.00 0.00 0.00 33.01 33.22 2brs s GLN 68 CO 0.03 0.03 0.02 -1.58 -2.12 0.00 0.00 175.29 171.67 2brs s TRP 69 N -3.35 3.17 0.15 0.91 0.23 -1.26 -1.42 118.94 117.37 2brs s TRP 69 Ca 0.20 -0.02 0.33 0.00 -2.03 0.00 0.00 56.10 54.58 2brs s TRP 69 Cb 0.03 -1.99 1.67 0.00 0.03 0.00 0.00 33.47 33.22 2brs s TRP 69 CO 0.03 0.16 2.00 -0.39 0.96 0.00 0.00 176.95 179.71 2brs h VAL 70 N 4.81 0.00 -0.32 4.03 -1.51 -1.56 -1.31 116.25 120.40 2brs h VAL 70 Ca -0.38 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 64.96 2brs h VAL 70 Cb 1.18 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 2brs h VAL 70 CO 0.65 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.09 2brs n ASP 71 N -2.73 1.86 0.00 4.19 5.75 -1.26 -4.92 116.55 119.44 2brs n ASP 71 Ca -0.01 -1.94 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 2brs n ASP 71 Cb 0.13 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 2brs n ASP 71 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2brs n GLY 72 N 1.08 2.11 3.65 6.12 0.00 -0.49 -5.02 105.19 112.63 2brs n GLY 72 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 2brs n GLY 72 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2brs s SER 73 N -3.49 2.34 0.36 1.61 1.04 -1.26 -4.96 113.70 109.34 2brs s SER 73 Ca 0.00 1.23 -0.19 0.00 0.48 0.00 0.00 55.95 57.46 2brs s SER 73 Cb 0.00 -1.91 -0.10 0.00 0.10 0.00 0.00 66.02 64.11 2brs s SER 73 CO 0.00 -3.32 0.85 0.00 0.98 0.00 0.00 173.24 171.76 2brs s ARG 74 N -4.89 4.19 -1.21 4.02 1.70 -1.26 -4.41 118.95 117.08 2brs s ARG 74 Ca 0.66 0.96 -0.13 0.00 -0.47 0.00 0.00 55.73 56.74 2brs s ARG 74 Cb -0.19 -2.39 0.18 0.00 -0.57 0.00 0.00 34.95 31.97 2brs s ARG 74 CO 0.59 0.10 1.43 1.87 -1.08 0.00 0.00 175.30 178.21 2brs n TRP 75 N -0.31 4.94 -0.17 5.89 -0.00 -1.26 -4.74 117.44 121.79 2brs n TRP 75 Ca 0.04 -3.38 0.06 0.00 -0.00 0.00 0.00 57.50 54.23 2brs n TRP 75 Cb 0.53 -2.16 0.16 0.00 -0.00 0.00 0.00 31.31 29.84 2brs n TRP 75 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 2brs n ASN 76 N 5.43 2.95 -3.59 5.87 0.23 -1.26 -5.01 115.26 119.88 2brs n ASN 76 Ca 0.36 -1.99 -0.16 0.00 -0.53 0.00 0.00 54.58 52.26 2brs n ASN 76 Cb 0.42 -0.24 -0.07 0.00 -2.08 0.00 0.00 39.78 37.82 2brs n ASN 76 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 2brs s PHE 77 N -1.00 -0.62 0.16 -2.53 5.36 -1.26 -4.95 117.98 113.14 2brs s PHE 77 Ca 0.24 1.21 -0.21 0.00 -0.96 0.00 0.00 56.93 57.21 2brs s PHE 77 Cb 0.12 0.32 0.05 0.00 -0.34 0.00 0.00 43.02 43.18 2brs s PHE 77 CO 0.16 -0.51 0.56 0.00 -1.46 0.00 0.00 175.22 173.98 2brs s ALA 78 N -0.75 -1.36 -0.42 11.12 0.00 -1.26 -4.86 121.76 124.22 2brs s ALA 78 Ca -0.08 0.25 0.08 0.00 0.00 0.00 0.00 51.96 52.21 2brs s ALA 78 Cb -0.02 0.84 0.27 0.00 0.00 0.00 0.00 23.12 24.21 2brs s ALA 78 CO 0.07 -0.77 0.69 0.98 0.00 0.00 0.00 175.76 176.73 2brs n TYR 79 N -0.35 -1.28 -2.32 0.00 9.36 -1.26 -5.04 117.16 116.27 2brs n TYR 79 Ca -0.15 -3.01 -0.40 0.00 3.32 0.00 0.00 57.90 57.66 2brs n TYR 79 Cb 0.64 0.30 -0.03 0.00 -0.63 0.00 0.00 39.34 39.62 2brs n TYR 79 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 2brs s TRP 80 N -0.74 3.30 0.36 2.98 0.52 -1.26 -0.58 118.94 123.52 2brs s TRP 80 Ca 0.34 1.57 -0.28 0.00 0.02 0.00 0.00 56.10 57.75 2brs s TRP 80 Cb 0.22 -3.44 -0.11 0.00 -1.15 0.00 0.00 33.47 28.99 2brs s TRP 80 CO -0.14 -1.14 1.41 0.00 0.02 0.00 0.00 176.95 177.10 2brs s ALA 81 N -1.20 3.54 0.21 0.98 0.00 0.01 -4.71 121.76 120.59 2brs s ALA 81 Ca 0.48 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.88 2brs s ALA 81 Cb -0.34 -3.55 0.18 0.00 0.00 0.00 0.00 23.12 19.40 2brs s ALA 81 CO 0.45 -0.88 1.53 0.00 0.00 0.00 0.00 175.76 176.86 2brs h ALA 82 N 3.20 0.77 -3.28 0.00 0.00 -1.94 -3.41 119.26 114.60 2brs h ALA 82 Ca -0.50 -0.52 -0.69 0.00 0.00 0.00 0.00 54.91 53.20 2brs h ALA 82 Cb 1.23 -0.08 -0.32 0.00 0.00 0.00 0.00 17.79 18.62 2brs h ALA 82 CO 0.65 0.70 -0.62 -1.01 0.00 0.00 0.00 179.25 178.96 2brs s HIS 83 N -3.91 3.34 0.06 0.00 3.76 -1.26 -5.07 115.29 112.22 2brs s HIS 83 Ca -0.06 -1.85 -0.27 0.00 -0.15 0.00 0.00 55.06 52.74 2brs s HIS 83 Cb 0.12 -2.47 0.09 0.00 1.11 0.00 0.00 32.58 31.43 2brs s HIS 83 CO 0.82 -0.82 0.81 1.14 -0.85 0.00 0.00 174.74 175.84 2brs s GLN 84 N 1.28 1.01 0.13 1.40 -2.07 -1.26 -5.12 119.66 115.03 2brs s GLN 84 Ca -0.01 -0.41 -0.31 0.00 -1.82 0.00 0.00 55.36 52.82 2brs s GLN 84 Cb -0.21 0.45 -0.08 0.00 -1.09 0.00 0.00 33.01 32.08 2brs s GLN 84 CO -0.00 -0.45 1.38 -2.14 -1.32 0.00 0.00 175.29 172.75 2brs s PRO 85 N -3.33 4.33 0.00 9.60 0.02 -1.26 -4.93 135.00 139.43 2brs s PRO 85 Ca 0.05 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.14 2brs s PRO 85 Cb -0.01 -3.24 0.00 0.00 0.02 0.00 0.00 34.50 31.27 2brs s PRO 85 CO -0.08 -0.41 0.00 1.87 -0.33 0.00 0.00 177.00 178.04 2brs n TRP 86 N 3.76 0.00 -2.00 6.54 -0.00 -1.26 -4.45 117.44 120.03 2brs n TRP 86 Ca 0.11 0.00 -0.42 0.00 -0.00 0.00 0.00 57.50 57.19 2brs n TRP 86 Cb 0.42 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.70 2brs n TRP 86 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 2brs s SER 87 N -2.62 6.66 -0.72 5.87 0.15 -1.26 -0.91 113.70 120.87 2brs s SER 87 Ca 0.00 2.48 0.00 0.00 0.70 0.00 0.00 55.95 59.13 2brs s SER 87 Cb 0.00 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2brs s SER 87 CO 0.00 -0.80 0.00 0.54 1.20 0.00 0.00 173.24 174.18 2brs n ARG 88 N 4.57 -0.52 0.09 5.44 5.12 -1.26 -4.90 116.66 125.20 2brs n ARG 88 Ca 0.14 0.63 0.12 0.00 -1.93 0.00 0.00 57.85 56.80 2brs n ARG 88 Cb 0.40 -4.46 0.06 0.00 -1.16 0.00 0.00 32.46 27.30 2brs n ARG 88 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 2brs h GLY 89 N 0.00 0.00 0.00 -0.13 0.00 -1.24 -3.50 103.07 98.20 2brs h GLY 89 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2brs h GLY 89 CO 0.21 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.36 2brs n GLY 90 N 1.23 3.12 0.48 4.60 0.00 -1.26 -2.98 105.19 110.39 2brs n GLY 90 Ca 0.01 -1.89 0.04 0.00 0.00 0.00 0.00 46.02 44.19 2brs n GLY 90 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2brs n HIS 91 N -1.52 0.36 -4.37 1.61 8.25 -1.12 -4.40 115.22 114.02 2brs n HIS 91 Ca 0.00 -0.51 -0.26 0.00 -0.26 0.00 0.00 57.72 56.69 2brs n HIS 91 Cb 0.00 -0.04 -0.12 0.00 1.12 0.00 0.00 29.99 30.95 2brs n HIS 91 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2brs s VAL 93 N -1.40 4.67 0.07 0.00 1.01 -0.82 0.11 120.40 124.04 2brs s VAL 93 Ca 0.15 -0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.10 2brs s VAL 93 Cb -0.09 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 2brs s VAL 93 CO 0.07 0.52 -0.16 0.00 0.00 0.00 0.00 175.10 175.52 2brs s ALA 94 N -0.09 1.38 -0.17 5.51 0.00 -0.94 -2.42 121.76 125.02 2brs s ALA 94 Ca 0.06 -1.04 -0.06 0.00 0.00 0.00 0.00 51.96 50.92 2brs s ALA 94 Cb -0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 2brs s ALA 94 CO 0.01 0.24 0.02 -1.17 0.00 0.00 0.00 175.76 174.86 2brs s LEU 95 N -1.66 3.57 -0.13 0.00 0.20 -0.02 -1.46 118.68 119.19 2brs s LEU 95 Ca 0.01 -0.01 -0.27 0.00 0.69 0.00 0.00 54.13 54.56 2brs s LEU 95 Cb -0.10 -1.88 -0.02 0.00 -0.43 0.00 0.00 46.19 43.76 2brs s LEU 95 CO 0.03 0.17 0.89 0.00 -0.29 0.00 0.00 176.35 177.15 2brs h THR 97 N 5.11 0.37 -3.18 0.00 1.35 -1.61 -1.63 112.91 113.32 2brs h THR 97 Ca -0.31 0.00 -0.65 0.00 -0.55 0.00 0.00 66.41 64.90 2brs h THR 97 Cb 1.14 0.46 -0.14 0.00 -1.73 0.00 0.00 68.15 67.88 2brs h THR 97 CO 0.84 0.00 -0.57 0.00 -0.25 0.00 0.00 175.52 175.53 2brs s ARG 98 N -4.80 3.55 0.00 4.72 3.03 -1.26 -4.48 118.95 119.71 2brs s ARG 98 Ca -0.05 -0.33 0.00 0.00 2.03 0.00 0.00 55.73 57.38 2brs s ARG 98 Cb 0.19 -3.06 0.00 0.00 -1.03 0.00 0.00 34.95 31.06 2brs s ARG 98 CO 0.69 0.50 0.00 0.41 -1.13 0.00 0.00 175.30 175.77 2brs n GLY 99 N 2.81 1.63 2.00 3.88 0.00 -1.26 -3.94 105.19 110.31 2brs n GLY 99 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2brs n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2brs n GLY 100 N 0.00 0.38 3.78 -0.02 0.00 -0.61 -5.01 105.19 103.71 2brs n GLY 100 Ca 0.00 -1.09 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 2brs n GLY 100 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2brs s TYR 101 N -2.00 3.20 0.14 1.61 1.51 -1.25 -4.56 117.35 116.01 2brs s TYR 101 Ca 0.00 1.63 -0.04 0.00 -1.01 0.00 0.00 57.07 57.64 2brs s TYR 101 Cb 0.00 -3.15 -0.05 0.00 -0.11 0.00 0.00 41.96 38.64 2brs s TYR 101 CO 0.00 -0.74 0.37 -1.58 -1.11 0.00 0.00 175.55 172.49 2brs s TRP 102 N -1.67 3.48 0.00 2.71 0.52 0.26 -0.17 118.94 124.07 2brs s TRP 102 Ca 0.59 0.53 -0.05 0.00 0.02 0.00 0.00 56.10 57.19 2brs s TRP 102 Cb -0.22 -1.99 -0.00 0.00 -1.15 0.00 0.00 33.47 30.11 2brs s TRP 102 CO 0.28 0.44 0.09 1.03 0.02 0.00 0.00 176.95 178.81 2brs s ARG 103 N -2.69 0.42 0.52 4.98 0.52 -0.53 -0.81 118.95 121.36 2brs s ARG 103 Ca 0.41 -0.43 -0.20 0.00 -0.52 0.00 0.00 55.73 54.99 2brs s ARG 103 Cb -0.12 0.17 -0.07 0.00 0.52 0.00 0.00 34.95 35.45 2brs s ARG 103 CO 0.25 -0.09 1.10 1.03 0.02 0.00 0.00 175.30 177.61 2brs s ARG 104 N -1.33 3.50 -0.03 3.54 0.52 -1.26 -2.22 118.95 121.67 2brs s ARG 104 Ca -0.14 1.53 -0.18 0.00 -0.52 0.00 0.00 55.73 56.41 2brs s ARG 104 Cb -0.08 -2.03 0.03 0.00 0.52 0.00 0.00 34.95 33.39 2brs s ARG 104 CO 0.01 -0.71 0.40 0.00 0.02 0.00 0.00 175.30 175.02 2brs s ALA 105 N -1.84 -1.01 -0.02 2.13 0.00 0.12 -4.69 121.76 116.44 2brs s ALA 105 Ca 0.71 0.58 -0.30 0.00 0.00 0.00 0.00 51.96 52.95 2brs s ALA 105 Cb -0.21 0.03 -0.06 0.00 0.00 0.00 0.00 23.12 22.88 2brs s ALA 105 CO 0.25 -0.28 1.55 -1.01 0.00 0.00 0.00 175.76 176.26 2brs s HIS 106 N -1.23 2.40 0.47 0.00 3.76 -1.24 -1.59 115.29 117.87 2brs s HIS 106 Ca -0.12 0.47 0.21 0.00 -0.15 0.00 0.00 55.06 55.47 2brs s HIS 106 Cb -0.04 -3.82 1.22 0.00 1.11 0.00 0.00 32.58 31.06 2brs s HIS 106 CO 0.05 -3.26 1.93 0.00 -0.85 0.00 0.00 174.74 172.62 2brs n LEU 108 N -4.42 0.31 -4.75 0.00 4.77 -1.26 -1.91 117.00 109.73 2brs n LEU 108 Ca 0.14 0.55 -0.39 0.00 -0.03 0.00 0.00 56.01 56.28 2brs n LEU 108 Cb 0.63 -0.47 0.03 0.00 -2.33 0.00 0.00 43.42 41.28 2brs n LEU 108 CO 0.35 -0.19 0.99 -0.60 -1.33 0.00 0.00 177.39 176.60 2brs s ARG 109 N -3.08 3.31 -0.16 3.23 3.52 -0.64 -4.68 118.95 120.47 2brs s ARG 109 Ca 0.10 2.22 -0.11 0.00 -0.13 0.00 0.00 55.73 57.82 2brs s ARG 109 Cb 0.14 -2.36 -0.05 0.00 -1.56 0.00 0.00 34.95 31.12 2brs s ARG 109 CO 0.47 -1.05 0.19 1.03 -0.81 0.00 0.00 175.30 175.13 2brs s ARG 110 N -2.79 4.01 0.21 5.12 0.52 -1.26 -3.86 118.95 120.91 2brs s ARG 110 Ca 0.69 -0.07 -0.18 0.00 -0.52 0.00 0.00 55.73 55.64 2brs s ARG 110 Cb -0.40 -3.35 0.03 0.00 0.52 0.00 0.00 34.95 31.74 2brs s ARG 110 CO 0.48 0.42 0.55 -0.51 0.02 0.00 0.00 175.30 176.26 2brs s LEU 111 N -0.03 0.00 1.21 2.53 1.43 0.89 -4.66 118.68 120.05 2brs s LEU 111 Ca 0.13 -0.50 -0.20 0.00 -1.03 0.00 0.00 54.13 52.53 2brs s LEU 111 Cb -0.12 2.23 0.29 0.00 0.03 0.00 0.00 46.19 48.62 2brs s LEU 111 CO 0.02 -1.10 1.15 -2.84 0.23 0.00 0.00 176.35 173.81 2brs s PRO 112 N -3.88 -1.28 0.11 1.29 0.02 -1.25 -1.33 135.00 128.67 2brs s PRO 112 Ca 0.10 -0.24 -0.26 0.00 0.02 0.00 0.00 61.00 60.62 2brs s PRO 112 Cb -0.02 -1.61 0.08 0.00 0.02 0.00 0.00 34.50 32.97 2brs s PRO 112 CO -0.01 -3.72 0.85 -0.59 -0.33 0.00 0.00 177.00 173.20 2brs s PHE 113 N -3.15 -0.29 -0.20 6.54 -0.71 -0.87 -1.71 117.98 117.60 2brs s PHE 113 Ca 0.73 0.04 -0.05 0.00 -1.04 0.00 0.00 56.93 56.62 2brs s PHE 113 Cb -0.07 0.60 -0.02 0.00 -1.21 0.00 0.00 43.02 42.31 2brs s PHE 113 CO 0.55 -0.76 -0.01 0.42 -1.34 0.00 0.00 175.22 174.08 2brs s ILE 114 N -3.36 3.82 0.09 -4.49 -1.09 -1.00 -0.87 121.20 114.29 2brs s ILE 114 Ca 0.07 -0.36 0.05 0.00 -2.23 0.00 0.00 60.65 58.19 2brs s ILE 114 Cb -0.02 -2.72 -0.04 0.00 -1.58 0.00 0.00 42.46 38.10 2brs s ILE 114 CO -0.04 0.43 -0.04 0.00 -1.23 0.00 0.00 174.94 174.07 2brs s SER 116 N -2.19 3.62 0.00 0.00 1.04 0.43 0.25 113.70 116.85 2brs s SER 116 Ca 0.23 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 56.11 2brs s SER 116 Cb -0.11 -0.46 0.00 0.00 0.10 0.00 0.00 66.02 65.55 2brs s SER 116 CO 0.16 0.22 0.00 0.00 0.98 0.00 0.00 173.24 174.60