#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bro h LEU 5 N 0.00 0.21 -0.65 0.64 5.85 -2.05 -0.29 115.31 119.02 3bro h LEU 5 Ca 0.00 -0.37 -0.14 0.00 0.84 0.00 0.00 57.88 58.21 3bro h LEU 5 Cb 0.00 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 3bro h LEU 5 CO 0.00 0.53 -0.66 1.23 -0.34 0.00 0.00 178.44 179.21 3bro h GLY 6 N -0.11 0.09 0.96 3.75 0.00 -2.05 -0.38 103.07 105.32 3bro h GLY 6 Ca 0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 3bro h GLY 6 CO 0.01 0.10 0.18 -0.09 0.00 0.00 0.00 176.54 176.75 3bro h ARG 7 N 0.05 0.66 -0.09 4.80 2.43 -1.95 -2.72 114.38 117.56 3bro h ARG 7 Ca -0.01 -0.12 -0.17 0.00 -0.81 0.00 0.00 59.98 58.87 3bro h ARG 7 Cb 1.17 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 3bro h ARG 7 CO 0.09 0.60 -0.69 -0.07 -1.51 0.00 0.00 179.97 178.39 3bro h LEU 8 N 0.57 0.45 -0.65 3.80 3.38 -0.84 -2.33 115.31 119.69 3bro h LEU 8 Ca 0.15 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.85 3bro h LEU 8 Cb 0.18 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3bro h LEU 8 CO -0.01 1.00 0.42 0.25 0.09 0.00 0.00 178.44 180.19 3bro h LEU 9 N 0.27 0.72 -0.35 1.67 6.46 -1.04 -1.13 115.31 121.90 3bro h LEU 9 Ca -0.02 -0.01 -0.08 0.00 -0.12 0.00 0.00 57.88 57.65 3bro h LEU 9 Cb 1.24 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.99 3bro h LEU 9 CO 0.12 0.51 -0.08 0.50 -0.62 0.00 0.00 178.44 178.87 3bro h LYS 10 N 0.85 0.67 0.11 1.25 3.64 -1.32 -1.38 116.57 120.39 3bro h LYS 10 Ca 0.25 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3bro h LYS 10 Cb -0.06 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3bro h LYS 10 CO -0.07 0.83 -0.09 0.82 -2.27 0.00 0.00 179.45 178.67 3bro h ILE 11 N 0.46 0.79 -0.25 2.00 2.04 -1.28 -0.69 117.51 120.59 3bro h ILE 11 Ca 0.09 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.93 3bro h ILE 11 Cb 0.58 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 3bro h ILE 11 CO 0.03 0.00 0.09 0.00 0.00 0.00 0.00 178.15 178.28 3bro h ALA 12 N 0.67 0.33 -0.64 1.87 0.00 -1.19 0.04 119.26 120.34 3bro h ALA 12 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3bro h ALA 12 Cb 0.20 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3bro h ALA 12 CO -0.02 -0.07 0.37 1.03 0.00 0.00 0.00 179.25 180.56 3bro h SER 13 N 0.25 0.79 -0.55 0.00 0.87 -1.23 -3.07 113.55 110.61 3bro h SER 13 Ca 0.08 -0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 60.51 3bro h SER 13 Cb 0.20 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 3bro h SER 13 CO -0.01 0.64 0.13 0.78 -0.53 0.00 0.00 176.83 177.84 3bro h ASN 14 N 0.87 0.85 0.00 6.23 2.35 -0.88 -0.97 115.58 124.03 3bro h ASN 14 Ca 0.23 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3bro h ASN 14 Cb 0.01 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.16 3bro h ASN 14 CO -0.04 0.86 0.00 1.67 -1.65 0.00 0.00 177.43 178.27 3bro n GLN 15 N -4.39 0.00 0.00 0.81 7.27 -0.02 -1.25 117.38 119.79 3bro n GLN 15 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.09 3bro n GLN 15 Cb 0.24 -0.91 0.00 0.00 2.41 0.00 0.00 30.24 31.98 3bro n GLN 15 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 3bro n SER 17 N 0.17 0.00 -0.09 1.69 3.41 -0.37 -1.28 113.62 117.14 3bro n SER 17 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 3bro n SER 17 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 3bro n SER 17 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3bro h THR 18 N 0.00 1.27 -0.48 6.66 2.02 -1.43 -1.68 112.91 119.26 3bro h THR 18 Ca 0.00 -1.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.18 3bro h THR 18 Cb 0.00 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 3bro h THR 18 CO 0.00 0.32 0.28 0.03 0.37 0.00 0.00 175.52 176.51 3bro h ARG 19 N 0.27 0.67 -0.48 6.66 3.08 -1.44 -1.86 114.38 121.27 3bro h ARG 19 Ca 0.07 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.06 3bro h ARG 19 Cb 0.48 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 3bro h ARG 19 CO 0.02 0.51 0.32 0.74 -1.07 0.00 0.00 179.97 180.49 3bro h PHE 20 N 0.64 0.61 -0.02 3.04 -1.00 -1.81 -1.90 116.94 116.50 3bro h PHE 20 Ca 0.17 0.01 -0.21 0.00 2.81 0.00 0.00 57.97 60.75 3bro h PHE 20 Cb 0.03 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 39.39 3bro h PHE 20 CO -0.02 0.38 -0.89 -0.44 -1.61 0.00 0.00 178.31 175.73 3bro h ASP 21 N 0.65 0.52 -0.04 2.17 3.32 -0.80 -0.28 116.42 121.96 3bro h ASP 21 Ca 0.18 -0.40 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 3bro h ASP 21 Cb -0.07 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 3bro h ASP 21 CO -0.04 1.18 -0.03 0.40 -1.72 0.00 0.00 179.24 179.03 3bro h ILE 22 N 0.24 1.36 -0.51 0.35 2.04 -1.13 -2.11 117.51 117.75 3bro h ILE 22 Ca -0.07 -1.13 -0.07 0.00 1.00 0.00 0.00 64.86 64.60 3bro h ILE 22 Cb 1.51 2.03 -0.02 0.00 -0.74 0.00 0.00 36.82 39.59 3bro h ILE 22 CO 0.15 0.30 0.04 0.15 0.00 0.00 0.00 178.15 178.80 3bro h PHE 23 N -0.34 0.88 -0.46 1.37 3.57 -1.41 -3.03 116.94 117.53 3bro h PHE 23 Ca 0.01 -0.11 -0.10 0.00 3.53 0.00 0.00 57.97 61.30 3bro h PHE 23 Cb 0.51 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 3bro h PHE 23 CO 0.08 0.79 -0.11 0.00 -2.23 0.00 0.00 178.31 176.84 3bro h ALA 24 N 1.26 0.96 -0.97 2.41 0.00 -1.05 -2.98 119.26 118.88 3bro h ALA 24 Ca 0.16 -0.32 0.18 0.00 0.00 0.00 0.00 54.91 54.93 3bro h ALA 24 Cb 0.41 -0.18 -0.09 0.00 0.00 0.00 0.00 17.79 17.94 3bro h ALA 24 CO 0.01 0.61 0.61 -0.22 0.00 0.00 0.00 179.25 180.27 3bro h LYS 25 N 0.75 0.67 -0.17 0.00 1.63 -0.98 -0.62 116.57 117.85 3bro h LYS 25 Ca 0.12 -0.04 0.05 0.00 -0.85 0.00 0.00 60.65 59.93 3bro h LYS 25 Cb 0.60 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.07 3bro h LYS 25 CO 0.04 0.44 0.42 0.87 -3.45 0.00 0.00 179.45 177.78 3bro h LYS 26 N 0.69 0.00 -0.26 1.90 1.57 -1.58 -1.53 116.57 117.36 3bro h LYS 26 Ca 0.52 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 59.09 3bro h LYS 26 Cb 0.90 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 32.99 3bro h LYS 26 CO -0.29 0.00 -0.73 0.66 -0.57 0.00 0.00 179.45 178.53 3bro n TYR 27 N -3.16 0.93 -3.88 -1.35 4.02 -0.32 -4.98 117.16 108.42 3bro n TYR 27 Ca 0.02 -1.63 -0.25 0.00 -0.01 0.00 0.00 57.90 56.03 3bro n TYR 27 Cb 0.52 -0.26 0.00 0.00 -0.02 0.00 0.00 39.34 39.58 3bro n TYR 27 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3bro n ASP 28 N -0.73 -1.05 -4.15 7.72 4.64 -0.58 -4.98 116.55 117.42 3bro n ASP 28 Ca 0.24 -0.93 -0.10 0.00 -1.38 0.00 0.00 54.79 52.62 3bro n ASP 28 Cb 0.85 -3.45 -0.10 0.00 -1.04 0.00 0.00 41.12 37.38 3bro n ASP 28 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3bro s LEU 29 N -6.90 2.31 0.33 -2.67 1.43 -0.75 -5.00 118.68 107.44 3bro s LEU 29 Ca 0.08 -1.07 0.00 0.00 -1.03 0.00 0.00 54.13 52.12 3bro s LEU 29 Cb -0.04 0.08 -0.03 0.00 0.03 0.00 0.00 46.19 46.23 3bro s LEU 29 CO 0.86 -0.57 0.54 0.42 0.23 0.00 0.00 176.35 177.82 3bro s THR 30 N -3.80 5.11 0.29 5.49 -4.23 -1.26 -2.35 115.64 114.89 3bro s THR 30 Ca 0.14 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.24 3bro s THR 30 Cb 0.07 -3.84 0.28 0.00 1.34 0.00 0.00 72.50 70.34 3bro s THR 30 CO -0.04 -0.51 1.89 1.23 -0.54 0.00 0.00 174.62 176.65 3bro h GLY 31 N 0.92 1.43 0.74 3.99 0.00 -1.84 -3.00 103.07 105.31 3bro h GLY 31 Ca -0.49 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.39 3bro h GLY 31 CO 0.62 0.29 -0.09 -0.84 0.00 0.00 0.00 176.54 176.52 3bro h THR 32 N 1.06 0.90 0.00 4.70 2.02 -1.95 -1.75 112.91 117.90 3bro h THR 32 Ca 0.42 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 67.08 3bro h THR 32 Cb 0.25 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 3bro h THR 32 CO -0.17 0.12 0.00 0.00 0.37 0.00 0.00 175.52 175.83 3bro n GLN 33 N -5.09 0.00 0.00 6.66 6.02 -1.14 -1.50 117.38 122.33 3bro n GLN 33 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 3bro n GLN 33 Cb 0.21 -0.84 0.00 0.00 1.02 0.00 0.00 30.24 30.63 3bro n GLN 33 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3bro n THR 35 N 0.53 0.00 -0.08 5.09 -2.24 -0.66 -1.53 114.28 115.39 3bro n THR 35 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 3bro n THR 35 Cb 0.00 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 3bro n THR 35 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3bro h ILE 36 N 0.00 1.30 -0.49 2.28 2.04 -1.56 -1.19 117.51 119.89 3bro h ILE 36 Ca 0.00 -1.15 0.07 0.00 1.00 0.00 0.00 64.86 64.78 3bro h ILE 36 Cb 0.00 1.60 -0.06 0.00 -0.74 0.00 0.00 36.82 37.62 3bro h ILE 36 CO 0.00 0.35 0.15 0.40 0.00 0.00 0.00 178.15 179.06 3bro h ILE 37 N 0.16 0.80 -0.39 -0.67 2.04 -1.55 -1.19 117.51 116.70 3bro h ILE 37 Ca 0.05 -0.11 0.06 0.00 1.00 0.00 0.00 64.86 65.87 3bro h ILE 37 Cb 0.58 0.45 -0.06 0.00 -0.74 0.00 0.00 36.82 37.06 3bro h ILE 37 CO 0.03 0.06 0.06 -0.78 0.00 0.00 0.00 178.15 177.51 3bro h ASP 38 N 0.32 -0.04 -0.54 1.72 3.58 -1.80 -0.02 116.42 119.63 3bro h ASP 38 Ca 0.24 0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.73 3bro h ASP 38 Cb 0.28 0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.42 3bro h ASP 38 CO -0.27 0.02 0.21 0.22 -2.88 0.00 0.00 179.24 176.54 3bro h TYR 39 N 0.18 0.83 -0.29 0.28 3.20 -0.68 -2.53 116.97 117.96 3bro h TYR 39 Ca 0.19 -0.07 -0.13 0.00 3.14 0.00 0.00 58.73 61.87 3bro h TYR 39 Cb 0.24 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.26 3bro h TYR 39 CO -0.22 0.68 -0.31 -0.07 -1.64 0.00 0.00 178.16 176.60 3bro h LEU 40 N 0.74 0.77 -0.60 2.82 3.38 -0.93 -2.63 115.31 118.86 3bro h LEU 40 Ca 0.18 -0.48 0.11 0.00 0.09 0.00 0.00 57.88 57.78 3bro h LEU 40 Cb 0.21 -0.22 -0.09 0.00 0.09 0.00 0.00 40.66 40.65 3bro h LEU 40 CO -0.01 1.09 0.11 -1.28 0.09 0.00 0.00 178.44 178.44 3bro h SER 41 N 0.46 -0.03 0.30 -0.43 0.87 -0.95 -1.18 113.55 112.60 3bro h SER 41 Ca 0.04 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 3bro h SER 41 Cb 0.89 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 3bro h SER 41 CO 0.08 -0.01 -0.01 -2.11 -0.53 0.00 0.00 176.83 174.25 3bro n ARG 42 N -5.15 0.72 -0.93 2.24 1.85 -0.96 -3.40 116.66 111.04 3bro n ARG 42 Ca 0.09 -0.05 -0.02 0.00 -1.00 0.00 0.00 57.85 56.87 3bro n ARG 42 Cb 0.32 -1.50 0.17 0.00 -1.05 0.00 0.00 32.46 30.40 3bro n ARG 42 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3bro n ASN 43 N -1.10 2.52 0.23 2.89 3.02 -0.48 -4.76 115.26 117.57 3bro n ASN 43 Ca 0.18 -3.86 0.09 0.00 -0.03 0.00 0.00 54.58 50.96 3bro n ASN 43 Cb 0.19 -0.51 0.53 0.00 -0.61 0.00 0.00 39.78 39.39 3bro n ASN 43 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3bro h LYS 44 N 1.26 0.00 -0.49 3.52 1.57 -1.47 -3.00 116.57 117.95 3bro h LYS 44 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3bro h LYS 44 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3bro h LYS 44 CO 0.22 0.23 0.00 0.27 -0.57 0.00 0.00 179.45 179.60 3bro n ASN 45 N -3.62 1.31 -3.97 0.86 6.94 -1.26 -4.85 115.26 110.66 3bro n ASN 45 Ca -0.01 -2.08 -0.09 0.00 -0.02 0.00 0.00 54.58 52.37 3bro n ASN 45 Cb 0.36 -0.30 -0.06 0.00 -2.36 0.00 0.00 39.78 37.43 3bro n ASN 45 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 3bro s LYS 46 N -1.60 1.40 -0.20 -3.83 -2.85 -1.13 -5.12 119.74 106.40 3bro s LYS 46 Ca 0.10 -1.21 -0.29 0.00 -1.00 0.00 0.00 55.97 53.57 3bro s LYS 46 Cb 0.07 0.44 0.00 0.00 -2.06 0.00 0.00 37.83 36.28 3bro s LYS 46 CO 0.05 -0.56 1.05 -1.21 0.10 0.00 0.00 175.35 174.78 3bro s GLU 47 N -4.00 4.29 -0.32 1.78 2.02 -1.26 -5.01 118.70 116.20 3bro s GLU 47 Ca 0.21 1.38 -0.10 0.00 0.02 0.00 0.00 54.97 56.48 3bro s GLU 47 Cb 0.01 -3.63 -0.01 0.00 0.10 0.00 0.00 34.13 30.60 3bro s GLU 47 CO 0.06 -0.58 0.17 0.08 0.02 0.00 0.00 175.26 175.01 3bro s VAL 48 N 3.00 4.76 0.49 2.63 1.01 -1.26 -5.02 120.40 126.00 3bro s VAL 48 Ca 0.45 -0.37 -0.06 0.00 0.00 0.00 0.00 61.98 62.00 3bro s VAL 48 Cb -0.16 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 3bro s VAL 48 CO 0.09 0.05 0.82 -0.76 0.00 0.00 0.00 175.10 175.29 3bro s LEU 49 N 1.64 3.59 0.25 3.92 1.43 -1.26 -0.46 118.68 127.79 3bro s LEU 49 Ca 0.05 1.02 -0.05 0.00 -1.03 0.00 0.00 54.13 54.12 3bro s LEU 49 Cb -0.17 -3.98 0.34 0.00 0.03 0.00 0.00 46.19 42.42 3bro s LEU 49 CO 0.07 -0.60 1.87 -0.61 0.23 0.00 0.00 176.35 177.30 3bro h GLN 50 N 0.24 1.02 0.00 1.70 4.15 -1.97 -1.73 115.11 118.53 3bro h GLN 50 Ca -0.47 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 58.89 3bro h GLN 50 Cb 1.20 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.66 3bro h GLN 50 CO 0.62 0.68 0.00 0.07 -1.93 0.00 0.00 178.83 178.27 3bro h ARG 51 N 1.06 0.00 -0.04 1.69 0.11 -1.98 0.76 114.38 115.97 3bro h ARG 51 Ca 0.39 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 60.28 3bro h ARG 51 Cb 0.14 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.23 3bro h ARG 51 CO -0.16 0.00 -0.71 -0.44 0.10 0.00 0.00 179.97 178.75 3bro h ASP 52 N 0.00 0.70 -0.81 0.08 3.32 -1.71 -2.80 116.42 115.20 3bro h ASP 52 Ca 0.00 -0.71 -0.00 0.00 0.02 0.00 0.00 57.03 56.34 3bro h ASP 52 Cb 0.34 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 3bro h ASP 52 CO 0.00 1.31 0.49 0.25 -1.72 0.00 0.00 179.24 179.57 3bro h LEU 53 N 0.16 0.98 -0.79 1.55 6.46 -0.65 -1.01 115.31 122.00 3bro h LEU 53 Ca -0.08 -0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.61 3bro h LEU 53 Cb 1.38 -0.25 -0.04 0.00 -0.73 0.00 0.00 40.66 41.03 3bro h LEU 53 CO 0.14 0.75 0.47 -0.33 -0.62 0.00 0.00 178.44 178.86 3bro h GLU 54 N 1.11 1.08 -0.15 1.25 5.08 -0.98 -2.25 114.58 119.73 3bro h GLU 54 Ca 0.29 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.49 3bro h GLU 54 Cb -0.04 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 28.98 3bro h GLU 54 CO -0.05 0.77 -0.15 1.03 -1.00 0.00 0.00 179.01 179.60 3bro h SER 55 N 1.09 0.39 -0.58 1.42 0.87 -1.18 0.23 113.55 115.78 3bro h SER 55 Ca 0.28 -0.48 0.08 0.00 -1.23 0.00 0.00 61.79 60.44 3bro h SER 55 Cb -0.03 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 61.76 3bro h SER 55 CO -0.05 0.79 0.23 -0.08 -0.53 0.00 0.00 176.83 177.19 3bro h GLU 56 N -0.01 0.42 -0.25 2.24 4.57 -1.06 -2.94 114.58 117.55 3bro h GLU 56 Ca 0.02 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3bro h GLU 56 Cb 0.68 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 3bro h GLU 56 CO 0.04 0.28 0.00 1.19 -1.18 0.00 0.00 179.01 179.34 3bro n PHE 57 N -4.96 0.30 -3.92 0.92 3.01 -0.86 -4.98 117.46 106.98 3bro n PHE 57 Ca 0.07 -0.15 -0.30 0.00 1.01 0.00 0.00 57.45 58.08 3bro n PHE 57 Cb 0.23 -0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.70 3bro n PHE 57 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3bro n SER 58 N 1.45 -2.14 -4.37 4.37 2.88 -0.01 -4.99 113.62 110.81 3bro n SER 58 Ca 0.17 -1.07 -0.29 0.00 -1.33 0.00 0.00 58.87 56.35 3bro n SER 58 Cb 0.61 -2.86 -0.13 0.00 -0.75 0.00 0.00 64.21 61.07 3bro n SER 58 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 3bro s ILE 59 N -3.80 2.19 0.74 2.46 -4.36 -0.72 -5.04 121.20 112.67 3bro s ILE 59 Ca 0.20 -1.64 -0.15 0.00 -0.26 0.00 0.00 60.65 58.80 3bro s ILE 59 Cb -0.08 -1.92 0.05 0.00 1.25 0.00 0.00 42.46 41.75 3bro s ILE 59 CO 0.90 0.16 1.22 -0.54 0.24 0.00 0.00 174.94 176.92 3bro s LYS 60 N -1.82 2.04 0.21 0.37 1.02 -1.26 -4.68 119.74 115.62 3bro s LYS 60 Ca 0.13 1.80 -0.09 0.00 0.02 0.00 0.00 55.97 57.84 3bro s LYS 60 Cb -0.10 -1.82 0.31 0.00 -0.52 0.00 0.00 37.83 35.71 3bro s LYS 60 CO 0.05 -1.92 1.73 0.77 -0.92 0.00 0.00 175.35 175.06 3bro h SER 61 N -0.37 0.19 -0.66 2.83 0.02 -1.99 0.11 113.55 113.69 3bro h SER 61 Ca -0.48 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 3bro h SER 61 Cb 1.30 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.89 3bro h SER 61 CO 0.49 0.10 0.43 0.77 -1.14 0.00 0.00 176.83 177.48 3bro h SER 62 N 0.39 0.77 -0.26 3.07 4.64 -1.99 0.60 113.55 120.76 3bro h SER 62 Ca 0.33 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.61 3bro h SER 62 Cb 0.44 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 3bro h SER 62 CO -0.34 0.57 0.12 0.74 -0.87 0.00 0.00 176.83 177.05 3bro h THR 63 N 0.89 1.15 -0.34 2.95 2.02 -1.73 -1.80 112.91 116.05 3bro h THR 63 Ca 0.24 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 3bro h THR 63 Cb -0.08 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 3bro h THR 63 CO -0.05 0.15 0.18 0.00 0.37 0.00 0.00 175.52 176.16 3bro h ALA 64 N 0.98 0.43 -0.05 6.16 0.00 -0.33 -2.05 119.26 124.40 3bro h ALA 64 Ca 0.09 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3bro h ALA 64 Cb 0.12 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3bro h ALA 64 CO -0.01 -0.03 -0.18 1.15 0.00 0.00 0.00 179.25 180.18 3bro h THR 65 N 0.42 0.55 -0.77 0.00 2.02 0.32 0.95 112.91 116.40 3bro h THR 65 Ca 0.12 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.36 3bro h THR 65 Cb 0.08 0.55 -0.06 0.00 -1.74 0.00 0.00 68.15 66.99 3bro h THR 65 CO -0.02 0.00 0.45 0.58 0.37 0.00 0.00 175.52 176.90 3bro h VAL 66 N -0.27 0.99 -0.32 3.16 2.07 -1.26 -0.94 116.25 119.67 3bro h VAL 66 Ca 0.07 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 3bro h VAL 66 Cb 0.37 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3bro h VAL 66 CO -0.21 0.15 -0.03 0.25 0.02 0.00 0.00 177.57 177.75 3bro h LEU 67 N 0.81 0.59 -0.26 2.57 5.85 -0.71 -2.70 115.31 121.46 3bro h LEU 67 Ca 0.34 -0.33 -0.20 0.00 0.84 0.00 0.00 57.88 58.53 3bro h LEU 67 Cb 0.21 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.09 3bro h LEU 67 CO -0.19 0.78 -0.66 -0.07 -0.34 0.00 0.00 178.44 177.96 3bro h LEU 68 N 0.38 0.92 -1.30 2.25 3.38 -0.47 -3.04 115.31 117.43 3bro h LEU 68 Ca 0.09 -0.55 0.09 0.00 0.09 0.00 0.00 57.88 57.60 3bro h LEU 68 Cb 0.50 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 3bro h LEU 68 CO 0.02 1.34 0.53 1.56 0.09 0.00 0.00 178.44 181.99 3bro h GLN 69 N 0.58 0.77 -1.19 1.13 4.20 -1.18 0.15 115.11 119.57 3bro h GLN 69 Ca -0.02 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3bro h GLN 69 Cb 1.27 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.88 3bro h GLN 69 CO 0.14 0.51 0.00 -2.13 -0.67 0.00 0.00 178.83 176.68 3bro n ARG 70 N -4.51 0.52 0.00 1.46 3.00 -1.02 -2.16 116.66 113.95 3bro n ARG 70 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.99 3bro n ARG 70 Cb 0.30 -1.25 0.00 0.00 0.00 0.00 0.00 32.46 31.52 3bro n ARG 70 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3bro n GLU 72 N 0.59 0.00 -0.16 -0.14 1.02 0.51 -1.61 120.64 120.85 3bro n GLU 72 Ca 0.00 0.00 0.27 0.00 -0.02 0.00 0.00 57.16 57.41 3bro n GLU 72 Cb 0.22 0.00 0.71 0.00 -0.02 0.00 0.00 31.44 32.35 3bro n GLU 72 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3bro h ILE 73 N 0.00 0.58 -0.01 -3.67 2.04 -1.70 0.45 117.51 115.19 3bro h ILE 73 Ca 0.00 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3bro h ILE 73 Cb 0.00 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 3bro h ILE 73 CO 0.00 0.00 -0.05 0.29 0.00 0.00 0.00 178.15 178.39 3bro n LYS 74 N -4.29 1.52 -2.75 2.37 5.02 -0.63 -4.95 118.16 114.45 3bro n LYS 74 Ca 0.17 -0.91 -0.17 0.00 -2.02 0.00 0.00 58.31 55.38 3bro n LYS 74 Cb 0.91 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 34.46 3bro n LYS 74 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3bro n LYS 75 N 0.05 -3.40 -0.04 1.97 4.76 0.16 -4.91 118.16 116.75 3bro n LYS 75 Ca 0.17 0.74 -0.11 0.00 -2.87 0.00 0.00 58.31 56.24 3bro n LYS 75 Cb 0.36 -5.19 -0.14 0.00 -1.84 0.00 0.00 35.03 28.22 3bro n LYS 75 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3bro n LEU 76 N -3.07 0.97 -4.09 -0.35 4.77 -1.26 -4.55 117.00 109.43 3bro n LEU 76 Ca -0.11 0.27 -0.11 0.00 -0.03 0.00 0.00 56.01 56.03 3bro n LEU 76 Cb 0.61 0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.67 3bro n LEU 76 CO 0.35 0.49 0.02 -1.48 -1.33 0.00 0.00 177.39 175.44 3bro s LEU 77 N -6.08 0.71 0.10 2.23 0.05 -1.26 -2.03 118.68 112.40 3bro s LEU 77 Ca -0.09 -1.16 -0.08 0.00 0.05 0.00 0.00 54.13 52.84 3bro s LEU 77 Cb 0.07 1.21 -0.01 0.00 -2.05 0.00 0.00 46.19 45.42 3bro s LEU 77 CO 0.81 -1.05 0.19 -0.72 -0.55 0.00 0.00 176.35 175.03 3bro s TYR 78 N -3.97 0.22 -0.51 3.48 -0.85 0.16 -4.22 117.35 111.67 3bro s TYR 78 Ca 0.30 -0.65 -0.19 0.00 -0.52 0.00 0.00 57.07 56.00 3bro s TYR 78 Cb 0.02 -0.09 0.06 0.00 0.38 0.00 0.00 41.96 42.33 3bro s TYR 78 CO 0.12 -0.56 0.65 1.03 -1.52 0.00 0.00 175.55 175.27 3bro s ARG 79 N -3.88 3.13 -0.02 -3.49 0.52 -1.26 -0.81 118.95 113.14 3bro s ARG 79 Ca 0.07 -0.88 -0.15 0.00 -0.52 0.00 0.00 55.73 54.25 3bro s ARG 79 Cb 0.05 -4.11 -0.05 0.00 0.52 0.00 0.00 34.95 31.36 3bro s ARG 79 CO -0.09 -1.26 0.41 0.21 0.02 0.00 0.00 175.30 174.59 3bro s LYS 80 N 2.71 3.97 0.17 3.54 2.20 0.15 -4.80 119.74 127.68 3bro s LYS 80 Ca 0.16 0.39 -0.34 0.00 -0.36 0.00 0.00 55.97 55.82 3bro s LYS 80 Cb -0.19 -3.25 -0.14 0.00 -1.51 0.00 0.00 37.83 32.74 3bro s LYS 80 CO 0.12 0.61 1.55 0.28 -0.36 0.00 0.00 175.35 177.55 3bro n VAL 81 N 2.11 0.09 -2.10 4.02 0.31 -1.26 0.15 118.33 121.65 3bro n VAL 81 Ca -0.13 -0.02 -0.41 0.00 -0.01 0.00 0.00 64.34 63.76 3bro n VAL 81 Cb 0.52 -1.50 -0.03 0.00 -0.91 0.00 0.00 33.84 31.92 3bro n VAL 81 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3bro s SER 82 N 0.83 6.75 0.17 4.52 0.15 0.14 -4.78 113.70 121.48 3bro s SER 82 Ca 0.78 2.56 -0.04 0.00 0.70 0.00 0.00 55.95 59.94 3bro s SER 82 Cb -0.69 -2.62 0.05 0.00 -1.71 0.00 0.00 66.02 61.05 3bro s SER 82 CO 0.39 -0.63 1.45 1.23 1.20 0.00 0.00 173.24 176.88 3bro h GLY 83 N 5.18 0.62 1.02 9.45 0.00 -1.91 -3.06 103.07 114.36 3bro h GLY 83 Ca -0.45 -0.78 -0.05 0.00 0.00 0.00 0.00 47.33 46.04 3bro h GLY 83 CO 0.78 0.70 0.21 1.70 0.00 0.00 0.00 176.54 179.93 3bro h LYS 84 N 0.41 0.99 -1.89 4.80 3.64 -1.97 -3.42 116.57 119.13 3bro h LYS 84 Ca -0.01 -0.21 -0.16 0.00 -1.27 0.00 0.00 60.65 59.00 3bro h LYS 84 Cb 1.20 -0.15 -0.30 0.00 -0.41 0.00 0.00 32.23 32.58 3bro h LYS 84 CO 0.12 0.86 -0.49 0.34 -2.27 0.00 0.00 179.45 178.01 3bro s ASP 85 N -6.25 0.32 0.00 4.20 3.68 -1.22 -5.06 116.67 112.35 3bro s ASP 85 Ca -0.13 0.12 0.16 0.00 2.13 0.00 0.00 52.55 54.83 3bro s ASP 85 Cb 0.14 1.09 0.75 0.00 -1.45 0.00 0.00 42.92 43.45 3bro s ASP 85 CO 0.82 -0.31 1.46 -1.54 0.13 0.00 0.00 175.17 175.73 3bro n SER 86 N 5.36 0.00 -0.98 -0.34 3.41 -1.16 -1.39 113.62 118.52 3bro n SER 86 Ca -0.03 0.19 0.07 0.00 -0.26 0.00 0.00 58.87 58.83 3bro n SER 86 Cb 0.50 -0.35 0.22 0.00 -0.26 0.00 0.00 64.21 64.32 3bro n SER 86 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3bro n ARG 87 N -1.35 2.40 -4.35 4.33 1.74 -1.26 -4.64 116.66 113.53 3bro n ARG 87 Ca 0.06 -1.75 -0.23 0.00 -0.77 0.00 0.00 57.85 55.17 3bro n ARG 87 Cb 0.14 -1.51 -0.11 0.00 -1.02 0.00 0.00 32.46 29.96 3bro n ARG 87 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3bro s GLN 88 N -1.55 1.33 0.10 5.56 0.74 -0.48 -5.05 119.66 120.31 3bro s GLN 88 Ca 0.32 -1.44 0.10 0.00 0.05 0.00 0.00 55.36 54.39 3bro s GLN 88 Cb 0.19 -1.43 -0.04 0.00 1.10 0.00 0.00 33.01 32.83 3bro s GLN 88 CO 0.19 0.29 -0.24 0.15 -0.55 0.00 0.00 175.29 175.13 3bro s LYS 89 N -2.79 1.37 0.24 1.67 -0.14 -1.26 0.27 119.74 119.10 3bro s LYS 89 Ca 0.17 -1.21 0.06 0.00 -1.36 0.00 0.00 55.97 53.63 3bro s LYS 89 Cb -0.06 -1.71 -0.05 0.00 -1.68 0.00 0.00 37.83 34.32 3bro s LYS 89 CO 0.07 0.41 -0.08 0.00 -0.76 0.00 0.00 175.35 174.99 3bro s LEU 91 N -3.36 4.37 -0.01 0.00 1.43 0.39 0.33 118.68 121.84 3bro s LEU 91 Ca 0.26 0.65 -0.00 0.00 -1.03 0.00 0.00 54.13 54.00 3bro s LEU 91 Cb 0.02 -2.34 0.02 0.00 0.03 0.00 0.00 46.19 43.92 3bro s LEU 91 CO 0.09 0.28 0.02 -0.54 0.23 0.00 0.00 176.35 176.43 3bro s LYS 92 N -0.57 -0.02 0.31 1.70 -0.14 0.01 -4.58 119.74 116.45 3bro s LYS 92 Ca 0.18 0.11 -0.28 0.00 -1.36 0.00 0.00 55.97 54.62 3bro s LYS 92 Cb -0.14 -0.14 -0.09 0.00 -1.68 0.00 0.00 37.83 35.78 3bro s LYS 92 CO 0.07 -0.10 1.09 -0.51 -0.76 0.00 0.00 175.35 175.15 3bro s LEU 93 N 0.61 4.47 0.81 3.17 1.43 -1.26 -0.67 118.68 127.24 3bro s LEU 93 Ca -0.05 2.23 -0.07 0.00 -1.03 0.00 0.00 54.13 55.20 3bro s LEU 93 Cb -0.07 -3.74 0.15 0.00 0.03 0.00 0.00 46.19 42.55 3bro s LEU 93 CO -0.02 -0.22 1.12 0.42 0.23 0.00 0.00 176.35 177.88 3bro s THR 94 N -1.26 2.10 0.21 5.49 -4.23 -0.86 -4.88 115.64 112.21 3bro s THR 94 Ca 0.47 -0.33 -0.08 0.00 -1.18 0.00 0.00 61.69 60.57 3bro s THR 94 Cb -0.30 -2.77 0.16 0.00 1.34 0.00 0.00 72.50 70.93 3bro s THR 94 CO 0.38 0.00 1.79 0.11 -0.54 0.00 0.00 174.62 176.36 3bro h LYS 95 N -0.95 1.17 -0.35 3.99 1.57 -1.90 -0.11 116.57 119.99 3bro h LYS 95 Ca -0.40 -0.19 0.08 0.00 -1.87 0.00 0.00 60.65 58.26 3bro h LYS 95 Cb 1.26 -0.20 -0.08 0.00 0.08 0.00 0.00 32.23 33.29 3bro h LYS 95 CO 0.42 0.93 -0.24 -0.22 -0.57 0.00 0.00 179.45 179.76 3bro h LYS 96 N 1.14 -0.19 -0.61 3.15 3.64 -1.92 -2.39 116.57 119.39 3bro h LYS 96 Ca 0.27 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.58 3bro h LYS 96 Cb 0.17 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 3bro h LYS 96 CO -0.03 -0.13 0.05 0.00 -2.27 0.00 0.00 179.45 177.08 3bro h ALA 97 N 0.94 0.81 -0.76 5.00 0.00 -1.73 -3.05 119.26 120.48 3bro h ALA 97 Ca 0.17 -0.28 0.16 0.00 0.00 0.00 0.00 54.91 54.96 3bro h ALA 97 Cb 0.47 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3bro h ALA 97 CO -0.47 0.61 0.51 -0.91 0.00 0.00 0.00 179.25 179.00 3bro h ASN 98 N 0.94 0.33 -0.81 0.00 2.35 -0.67 -1.56 115.58 116.17 3bro h ASN 98 Ca 0.18 0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.91 3bro h ASN 98 Cb 0.49 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.78 3bro h ASN 98 CO 0.02 0.16 0.35 0.11 -1.65 0.00 0.00 177.43 176.42 3bro h LYS 99 N 0.34 1.20 0.00 0.81 1.57 -1.32 -3.22 116.57 115.95 3bro h LYS 99 Ca 0.38 -0.20 -0.13 0.00 -1.87 0.00 0.00 60.65 58.83 3bro h LYS 99 Cb 0.97 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 3bro h LYS 99 CO -0.11 0.95 -0.70 -0.07 -0.57 0.00 0.00 179.45 178.95 3bro h LEU 100 N 1.17 0.00 -0.86 2.94 3.38 -1.41 -3.37 115.31 117.16 3bro h LEU 100 Ca 0.27 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.37 3bro h LEU 100 Cb 0.18 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.79 3bro h LEU 100 CO -0.03 0.58 -0.36 -0.62 0.09 0.00 0.00 178.44 178.10 3bro n GLU 101 N -3.19 -0.22 -0.02 1.13 1.02 -1.05 -0.97 120.64 117.33 3bro n GLU 101 Ca 0.00 1.33 -0.10 0.00 -0.02 0.00 0.00 57.16 58.36 3bro n GLU 101 Cb 0.78 -1.97 -0.04 0.00 -0.02 0.00 0.00 31.44 30.19 3bro n GLU 101 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bro h THR 102 N 0.00 0.25 -0.25 2.62 1.03 -1.80 -1.72 112.91 113.05 3bro h THR 102 Ca 0.28 0.00 0.01 0.00 -0.01 0.00 0.00 66.41 66.69 3bro h THR 102 Cb 0.50 0.25 -0.02 0.00 -1.07 0.00 0.00 68.15 67.81 3bro h THR 102 CO -0.85 0.00 0.13 0.40 -0.01 0.00 0.00 175.52 175.19 3bro h ILE 103 N -0.38 1.01 0.26 0.00 2.04 -1.31 -2.96 117.51 116.17 3bro h ILE 103 Ca 0.11 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 3bro h ILE 103 Cb 0.56 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 3bro h ILE 103 CO -0.39 0.05 -0.13 0.40 0.00 0.00 0.00 178.15 178.08 3bro h ILE 104 N 0.28 0.76 -0.92 -0.67 2.04 -0.94 0.05 117.51 118.11 3bro h ILE 104 Ca 0.10 -0.13 0.08 0.00 1.00 0.00 0.00 64.86 65.92 3bro h ILE 104 Cb 0.01 0.84 -0.07 0.00 -0.74 0.00 0.00 36.82 36.86 3bro h ILE 104 CO -0.06 0.03 0.57 -0.07 0.00 0.00 0.00 178.15 178.62 3bro h LEU 105 N -0.42 0.87 -0.36 1.44 3.38 -1.31 -1.67 115.31 117.25 3bro h LEU 105 Ca -0.04 0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 3bro h LEU 105 Cb 0.32 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3bro h LEU 105 CO 0.06 0.52 -0.45 0.77 0.09 0.00 0.00 178.44 179.44 3bro h SER 106 N 0.99 1.00 0.00 -0.43 4.64 -1.34 -2.77 113.55 115.64 3bro h SER 106 Ca 0.42 -0.49 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3bro h SER 106 Cb 0.29 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3bro h SER 106 CO -0.21 1.29 0.00 0.00 -0.87 0.00 0.00 176.83 177.04 3bro n TYR 107 N -4.04 0.00 0.00 4.77 9.36 -0.01 -1.93 117.16 125.31 3bro n TYR 107 Ca -0.03 -0.02 0.00 0.00 3.32 0.00 0.00 57.90 61.17 3bro n TYR 107 Cb 0.58 -0.07 0.00 0.00 -0.63 0.00 0.00 39.34 39.22 3bro n TYR 107 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3bro n ASP 109 N 0.76 0.00 0.11 2.98 10.43 -1.05 -1.22 116.55 128.57 3bro n ASP 109 Ca 0.00 0.00 -0.02 0.00 2.57 0.00 0.00 54.79 57.34 3bro n ASP 109 Cb 0.02 0.00 0.04 0.00 1.84 0.00 0.00 41.12 43.02 3bro n ASP 109 CO 0.00 0.00 0.00 0.77 -1.07 0.00 0.00 177.20 176.90 3bro h SER 110 N 0.00 0.00 0.02 -2.24 4.64 -1.68 -2.30 113.55 111.99 3bro h SER 110 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3bro h SER 110 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3bro h SER 110 CO 0.00 0.74 -0.01 -0.78 -0.87 0.00 0.00 176.83 175.91 3bro h ASP 111 N 0.00 -0.03 -0.74 4.97 3.58 -1.44 -1.11 116.42 121.66 3bro h ASP 111 Ca -0.01 -0.44 0.00 0.00 0.42 0.00 0.00 57.03 57.00 3bro h ASP 111 Cb 1.42 0.01 -0.04 0.00 1.72 0.00 0.00 39.33 42.44 3bro h ASP 111 CO 0.10 0.43 0.46 -0.61 -2.88 0.00 0.00 179.24 176.74 3bro h GLN 112 N -0.49 0.99 -0.13 0.28 4.15 -1.82 -2.74 115.11 115.34 3bro h GLN 112 Ca -0.00 -0.08 0.04 0.00 0.77 0.00 0.00 58.65 59.38 3bro h GLN 112 Cb 0.46 -0.21 -0.04 0.00 0.21 0.00 0.00 27.48 27.90 3bro h GLN 112 CO 0.01 0.68 -0.11 0.77 -1.93 0.00 0.00 178.83 178.25 3bro h SER 113 N 1.00 -0.33 0.00 -0.69 0.02 -1.41 0.59 113.55 112.72 3bro h SER 113 Ca 0.27 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 3bro h SER 113 Cb -0.06 0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.65 3bro h SER 113 CO -0.05 -0.14 0.00 1.67 -1.14 0.00 0.00 176.83 177.17 3bro n GLN 114 N -5.25 0.00 0.00 3.45 -0.06 -0.42 -1.39 117.38 113.71 3bro n GLN 114 Ca -0.03 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.97 3bro n GLN 114 Cb 0.17 -1.21 0.00 0.00 -4.06 0.00 0.00 30.24 25.14 3bro n GLN 114 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 3bro n THR 116 N 0.71 0.00 0.09 1.69 -2.24 0.20 -4.65 114.28 110.08 3bro n THR 116 Ca 0.00 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.57 3bro n THR 116 Cb 0.00 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.11 3bro n THR 116 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3bro h SER 117 N 0.00 0.83 0.52 3.42 4.64 -1.46 -3.11 113.55 118.39 3bro h SER 117 Ca 0.00 -0.76 0.00 0.00 -0.47 0.00 0.00 61.79 60.56 3bro h SER 117 Cb 0.00 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 61.83 3bro h SER 117 CO 0.00 1.57 0.00 0.61 -0.87 0.00 0.00 176.83 178.14 3bro n GLY 118 N 1.35 -1.06 3.80 -0.77 0.00 -1.26 -4.86 105.19 102.39 3bro n GLY 118 Ca -0.13 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 3bro n GLY 118 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bro s LEU 119 N -2.78 4.07 0.53 0.99 1.43 -1.18 -5.10 118.68 116.64 3bro s LEU 119 Ca 0.14 0.33 -0.16 0.00 -1.03 0.00 0.00 54.13 53.42 3bro s LEU 119 Cb 0.13 -1.97 -0.07 0.00 0.03 0.00 0.00 46.19 44.31 3bro s LEU 119 CO 0.33 0.39 0.99 0.20 0.23 0.00 0.00 176.35 178.49 3bro s ASN 120 N -0.92 6.54 0.37 2.29 0.01 -1.26 -4.95 114.94 117.03 3bro s ASN 120 Ca 0.14 1.57 0.05 0.00 -0.71 0.00 0.00 52.86 53.91 3bro s ASN 120 Cb -0.12 -2.51 0.72 0.00 0.41 0.00 0.00 41.25 39.75 3bro s ASN 120 CO 0.03 -0.64 1.99 0.07 -1.51 0.00 0.00 177.10 177.04 3bro h LYS 121 N 0.80 0.63 -0.22 -0.60 2.10 -1.99 -1.89 116.57 115.40 3bro h LYS 121 Ca -0.47 -0.06 -0.00 0.00 -2.00 0.00 0.00 60.65 58.12 3bro h LYS 121 Cb 1.19 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 32.38 3bro h LYS 121 CO 0.61 0.47 0.12 0.93 -2.00 0.00 0.00 179.45 179.58 3bro h GLU 122 N 0.63 0.29 -0.34 0.07 3.07 -1.99 -1.17 114.58 115.15 3bro h GLU 122 Ca 0.16 -0.02 -0.10 0.00 -0.50 0.00 0.00 59.36 58.90 3bro h GLU 122 Cb 0.04 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 3bro h GLU 122 CO -0.03 0.22 -0.17 0.93 -1.40 0.00 0.00 179.01 178.57 3bro h GLU 123 N 0.30 0.72 -0.47 2.33 5.08 -1.73 -1.73 114.58 119.07 3bro h GLU 123 Ca 0.08 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 3bro h GLU 123 Cb 0.01 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3bro h GLU 123 CO -0.01 0.92 0.29 0.28 -1.00 0.00 0.00 179.01 179.48 3bro h VAL 124 N 0.49 1.14 0.05 3.13 2.07 -1.28 -0.68 116.25 121.17 3bro h VAL 124 Ca 0.08 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 3bro h VAL 124 Cb 0.70 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3bro h VAL 124 CO 0.05 0.14 -0.02 0.58 0.02 0.00 0.00 177.57 178.34 3bro h VAL 125 N 0.62 1.02 -0.27 2.57 2.07 -1.24 -1.22 116.25 119.80 3bro h VAL 125 Ca 0.17 -0.21 0.06 0.00 0.82 0.00 0.00 66.70 67.54 3bro h VAL 125 Cb -0.02 1.16 -0.07 0.00 -1.52 0.00 0.00 31.29 30.85 3bro h VAL 125 CO -0.03 0.05 -0.19 0.15 0.02 0.00 0.00 177.57 177.58 3bro h PHE 126 N -0.15 -0.47 -0.60 1.57 3.57 -1.15 -2.33 116.94 117.37 3bro h PHE 126 Ca -0.01 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 3bro h PHE 126 Cb 0.13 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 3bro h PHE 126 CO -0.04 -0.26 0.36 1.25 -2.23 0.00 0.00 178.31 177.39 3bro h LEU 127 N -0.17 0.71 -0.34 0.59 5.85 -0.90 -1.88 115.31 119.18 3bro h LEU 127 Ca 0.15 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.86 3bro h LEU 127 Cb 0.39 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 3bro h LEU 127 CO -0.37 0.56 0.09 -0.08 -0.34 0.00 0.00 178.44 178.30 3bro h GLU 128 N 0.81 0.21 -0.47 1.25 4.81 -1.07 0.08 114.58 120.20 3bro h GLU 128 Ca 0.21 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 3bro h GLU 128 Cb -0.02 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3bro h GLU 128 CO -0.04 0.14 0.26 0.87 -0.73 0.00 0.00 179.01 179.51 3bro h LYS 129 N 0.22 0.65 -0.42 1.92 1.79 -1.06 -0.37 116.57 119.30 3bro h LYS 129 Ca 0.16 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.54 3bro h LYS 129 Cb 0.16 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 3bro h LYS 129 CO -0.19 0.51 0.19 0.82 -1.08 0.00 0.00 179.45 179.70 3bro h ILE 130 N 0.62 1.18 -0.62 1.86 5.03 -1.16 -2.99 117.51 121.43 3bro h ILE 130 Ca 0.17 -0.52 -0.05 0.00 -0.12 0.00 0.00 64.86 64.34 3bro h ILE 130 Cb 0.04 0.76 -0.03 0.00 -3.03 0.00 0.00 36.82 34.57 3bro h ILE 130 CO -0.03 0.20 0.21 -0.07 -0.68 0.00 0.00 178.15 177.78 3bro h LEU 131 N 0.53 0.89 -0.91 1.44 3.38 -0.60 -2.93 115.31 117.11 3bro h LEU 131 Ca 0.14 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 57.98 3bro h LEU 131 Cb 0.13 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.58 3bro h LEU 131 CO -0.02 0.85 0.57 0.50 0.09 0.00 0.00 178.44 180.44 3bro h LYS 132 N 0.88 1.00 -1.25 1.13 3.64 -1.05 -0.89 116.57 120.03 3bro h LYS 132 Ca 0.20 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3bro h LYS 132 Cb 0.27 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3bro h LYS 132 CO -0.01 0.66 0.00 -2.13 -2.27 0.00 0.00 179.45 175.70 3bro n ARG 133 N -4.59 0.63 0.00 1.90 3.00 -1.11 -1.94 116.66 114.56 3bro n ARG 133 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.99 3bro n ARG 133 Cb 0.20 -1.20 0.00 0.00 0.00 0.00 0.00 32.46 31.46 3bro n ARG 133 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 3bro n ILE 135 N 0.60 0.00 -0.35 5.15 5.41 -0.34 -1.70 119.36 128.14 3bro n ILE 135 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3bro n ILE 135 Cb 0.29 0.00 0.16 0.00 -0.71 0.00 0.00 39.64 39.38 3bro n ILE 135 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3bro h GLU 136 N 0.00 1.20 -0.00 0.38 5.08 -1.65 -3.02 114.58 116.57 3bro h GLU 136 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3bro h GLU 136 Cb 0.00 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 28.98 3bro h GLU 136 CO 0.00 0.79 -0.08 0.43 -1.00 0.00 0.00 179.01 179.15 3bro n SER 137 N -4.43 0.14 0.00 1.42 7.64 -0.69 -5.24 113.62 112.46 3bro n SER 137 Ca 0.13 0.08 0.00 0.00 1.01 0.00 0.00 58.87 60.08 3bro n SER 137 Cb 0.08 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 3bro n SER 137 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36