#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tlg s TYR 3 N 0.00 0.28 -0.17 1.24 1.51 -1.26 0.23 117.35 119.18 1tlg s TYR 3 Ca 0.00 -0.66 -0.08 0.00 -1.01 0.00 0.00 57.07 55.32 1tlg s TYR 3 Cb 0.00 -0.02 -0.04 0.00 -0.11 0.00 0.00 41.96 41.79 1tlg s TYR 3 CO 0.00 -0.69 0.10 -1.21 -1.11 0.00 0.00 175.55 172.64 1tlg s GLU 4 N -3.93 3.91 -0.09 -0.62 2.02 0.30 -4.91 118.70 115.38 1tlg s GLU 4 Ca 0.13 -0.26 0.02 0.00 0.02 0.00 0.00 54.97 54.88 1tlg s GLU 4 Cb 0.03 -3.27 0.01 0.00 0.10 0.00 0.00 34.13 31.01 1tlg s GLU 4 CO -0.03 0.40 -0.15 0.42 0.02 0.00 0.00 175.26 175.92 1tlg s ILE 5 N 0.04 1.43 -0.18 -1.63 -1.09 -1.26 -1.89 121.20 116.62 1tlg s ILE 5 Ca 0.08 -0.62 -0.02 0.00 -2.23 0.00 0.00 60.65 57.85 1tlg s ILE 5 Cb -0.12 -1.30 -0.01 0.00 -1.58 0.00 0.00 42.46 39.45 1tlg s ILE 5 CO 0.00 0.42 -0.08 -0.22 -1.23 0.00 0.00 174.94 173.84 1tlg s LEU 6 N 0.83 2.85 -0.12 2.97 2.96 0.06 -4.97 118.68 123.26 1tlg s LEU 6 Ca -0.10 -0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 53.44 1tlg s LEU 6 Cb -0.15 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 1tlg s LEU 6 CO 0.01 0.06 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.70 1tlg s PHE 7 N 0.97 3.01 -0.06 5.38 0.40 -1.26 -0.72 117.98 125.70 1tlg s PHE 7 Ca -0.01 -0.13 0.02 0.00 -0.60 0.00 0.00 56.93 56.21 1tlg s PHE 7 Cb -0.15 -1.85 0.01 0.00 0.51 0.00 0.00 43.02 41.55 1tlg s PHE 7 CO -0.00 0.15 -0.10 0.45 0.70 0.00 0.00 175.22 176.42 1tlg s SER 8 N -0.21 1.48 0.09 1.36 0.15 0.22 -5.01 113.70 111.79 1tlg s SER 8 Ca 0.03 -0.24 0.24 0.00 0.70 0.00 0.00 55.95 56.69 1tlg s SER 8 Cb -0.13 -0.68 0.96 0.00 -1.71 0.00 0.00 66.02 64.46 1tlg s SER 8 CO 0.02 0.01 1.76 0.47 1.20 0.00 0.00 173.24 176.70 1tlg n ASP 9 N 3.83 0.31 -4.77 5.45 8.00 -1.26 -2.59 116.55 125.53 1tlg n ASP 9 Ca -0.23 0.54 -0.41 0.00 0.71 0.00 0.00 54.79 55.40 1tlg n ASP 9 Cb 0.52 -0.62 -0.02 0.00 -0.02 0.00 0.00 41.12 40.97 1tlg n ASP 9 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1tlg s GLU 10 N -3.07 4.35 -0.00 -1.24 2.02 -1.26 -4.82 118.70 114.67 1tlg s GLU 10 Ca 0.10 2.22 0.00 0.00 0.02 0.00 0.00 54.97 57.31 1tlg s GLU 10 Cb 0.14 -3.07 -0.04 0.00 0.10 0.00 0.00 34.13 31.26 1tlg s GLU 10 CO 0.47 -0.20 0.05 0.95 0.02 0.00 0.00 175.26 176.55 1tlg s THR 11 N -1.06 4.53 0.18 3.63 -4.23 -1.26 -4.06 115.64 113.37 1tlg s THR 11 Ca 0.50 -0.47 -0.14 0.00 -1.18 0.00 0.00 61.69 60.39 1tlg s THR 11 Cb -0.40 -3.05 0.02 0.00 1.34 0.00 0.00 72.50 70.40 1tlg s THR 11 CO 0.52 0.36 0.43 -0.04 -0.54 0.00 0.00 174.62 175.36 1tlg s MET 12 N -1.67 1.28 0.84 3.99 -1.94 -0.42 -4.75 119.30 116.64 1tlg s MET 12 Ca 0.22 -0.96 -0.12 0.00 -1.71 0.00 0.00 55.69 53.12 1tlg s MET 12 Cb -0.12 0.47 0.10 0.00 2.01 0.00 0.00 34.83 37.29 1tlg s MET 12 CO 0.12 -0.52 1.15 0.54 -0.01 0.00 0.00 175.02 176.31 1tlg s ASN 13 N -2.90 4.15 0.23 3.03 6.03 -1.26 -0.94 114.94 123.28 1tlg s ASN 13 Ca 0.11 0.92 -0.07 0.00 -1.03 0.00 0.00 52.86 52.79 1tlg s ASN 13 Cb 0.01 -1.48 0.36 0.00 -3.03 0.00 0.00 41.25 37.11 1tlg s ASN 13 CO -0.03 -2.14 1.73 0.22 -2.03 0.00 0.00 177.10 174.86 1tlg h TYR 14 N -1.22 0.43 -0.41 1.54 3.20 -1.70 -0.64 116.97 118.18 1tlg h TYR 14 Ca -0.48 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.38 1tlg h TYR 14 Cb 1.32 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.49 1tlg h TYR 14 CO 0.33 0.07 0.08 0.00 -1.64 0.00 0.00 178.16 177.00 1tlg h ALA 15 N 1.48 0.54 -0.25 1.82 0.00 -1.93 -2.08 119.26 118.84 1tlg h ALA 15 Ca 0.36 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1tlg h ALA 15 Cb 0.50 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1tlg h ALA 15 CO -0.36 0.23 -0.06 -0.44 0.00 0.00 0.00 179.25 178.62 1tlg h ASP 16 N 0.52 0.36 -0.35 0.00 3.32 -1.82 -2.43 116.42 116.02 1tlg h ASP 16 Ca 0.13 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1tlg h ASP 16 Cb 0.34 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1tlg h ASP 16 CO 0.00 0.48 0.23 0.00 -1.72 0.00 0.00 179.24 178.23 1tlg h ALA 17 N 1.57 0.45 -0.86 3.45 0.00 -0.60 0.15 119.26 123.42 1tlg h ALA 17 Ca 0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1tlg h ALA 17 Cb 0.35 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1tlg h ALA 17 CO 0.02 -0.10 0.45 0.78 0.00 0.00 0.00 179.25 180.40 1tlg h GLY 18 N 0.47 1.29 1.08 0.00 0.00 -0.94 -1.67 103.07 103.31 1tlg h GLY 18 Ca 0.13 -0.60 -0.13 0.00 0.00 0.00 0.00 47.33 46.73 1tlg h GLY 18 CO -0.03 0.58 -0.23 -0.84 0.00 0.00 0.00 176.54 176.01 1tlg h THR 19 N 1.20 1.27 -0.78 4.70 2.02 -1.02 -1.46 112.91 118.85 1tlg h THR 19 Ca 0.30 -1.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.08 1tlg h THR 19 Cb 0.05 1.21 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 1tlg h THR 19 CO -0.05 0.47 0.46 0.22 0.37 0.00 0.00 175.52 177.00 1tlg h TYR 20 N 0.78 1.05 0.05 3.16 5.03 -0.39 -1.04 116.97 125.60 1tlg h TYR 20 Ca 0.10 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.39 1tlg h TYR 20 Cb 0.81 -0.34 0.00 0.00 1.55 0.00 0.00 36.73 38.75 1tlg h TYR 20 CO 0.06 0.71 -0.03 0.00 -1.32 0.00 0.00 178.16 177.58 1tlg h GLN 22 N -0.64 0.67 0.00 0.00 4.20 -0.61 0.88 115.11 119.60 1tlg h GLN 22 Ca -0.01 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1tlg h GLN 22 Cb 0.56 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1tlg h GLN 22 CO 0.01 0.44 0.00 -1.13 -0.67 0.00 0.00 178.83 177.49 1tlg n SER 23 N -4.49 0.00 -0.45 1.46 3.41 -0.40 -1.67 113.62 111.48 1tlg n SER 23 Ca 0.11 -0.23 0.04 0.00 -0.26 0.00 0.00 58.87 58.54 1tlg n SER 23 Cb 0.28 -0.17 0.09 0.00 -0.26 0.00 0.00 64.21 64.15 1tlg n SER 23 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1tlg n ARG 24 N -1.17 1.79 -1.05 4.33 0.63 0.22 -4.95 116.66 116.47 1tlg n ARG 24 Ca 0.11 -1.56 -0.02 0.00 -0.92 0.00 0.00 57.85 55.46 1tlg n ARG 24 Cb 0.11 -1.20 -0.01 0.00 0.45 0.00 0.00 32.46 31.82 1tlg n ARG 24 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1tlg n GLY 25 N 0.39 0.52 3.76 5.14 0.00 -0.67 -5.02 105.19 109.31 1tlg n GLY 25 Ca 0.08 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 1tlg n GLY 25 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1tlg s MET 26 N -1.24 2.17 0.15 1.61 -1.94 -0.71 -4.91 119.30 114.43 1tlg s MET 26 Ca 0.00 -2.34 0.07 0.00 -1.71 0.00 0.00 55.69 51.71 1tlg s MET 26 Cb 0.00 -1.59 -0.04 0.00 2.01 0.00 0.00 34.83 35.21 1tlg s MET 26 CO 0.00 -0.34 -0.15 0.00 -0.01 0.00 0.00 175.02 174.52 1tlg s ALA 27 N -2.85 1.71 0.29 3.03 0.00 0.05 -1.98 121.76 122.02 1tlg s ALA 27 Ca 0.11 -1.42 -0.30 0.00 0.00 0.00 0.00 51.96 50.36 1tlg s ALA 27 Cb 0.02 -0.10 -0.12 0.00 0.00 0.00 0.00 23.12 22.92 1tlg s ALA 27 CO 0.06 0.12 1.44 -0.11 0.00 0.00 0.00 175.76 177.27 1tlg n LEU 28 N 0.28 3.75 -4.60 0.00 7.94 -1.26 0.61 117.00 123.72 1tlg n LEU 28 Ca -0.13 1.17 -0.48 0.00 -1.11 0.00 0.00 56.01 55.46 1tlg n LEU 28 Cb 0.58 -1.51 -0.04 0.00 0.53 0.00 0.00 43.42 42.98 1tlg n LEU 28 CO 0.29 -0.24 0.77 0.55 -1.11 0.00 0.00 177.39 177.65 1tlg n VAL 29 N 1.45 0.94 0.00 1.96 3.14 0.11 -4.25 118.33 121.68 1tlg n VAL 29 Ca 0.08 -0.23 0.00 0.00 -2.96 0.00 0.00 64.34 61.23 1tlg n VAL 29 Cb 0.35 -0.97 0.00 0.00 -1.06 0.00 0.00 33.84 32.16 1tlg n VAL 29 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1tlg n SER 30 N 2.02 0.00 0.19 6.55 3.41 -1.26 0.26 113.62 124.78 1tlg n SER 30 Ca 0.14 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.83 1tlg n SER 30 Cb 0.26 0.17 0.59 0.00 -0.26 0.00 0.00 64.21 64.96 1tlg n SER 30 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1tlg h SER 31 N 0.00 0.12 0.51 4.04 4.64 -1.96 0.12 113.55 121.02 1tlg h SER 31 Ca 0.00 -0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.27 1tlg h SER 31 Cb 0.00 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 1tlg h SER 31 CO 0.00 0.09 -0.21 0.00 -0.87 0.00 0.00 176.83 175.83 1tlg h ALA 32 N 1.93 1.24 0.00 5.18 0.00 -1.94 -1.76 119.26 123.91 1tlg h ALA 32 Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1tlg h ALA 32 Cb 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1tlg h ALA 32 CO -0.01 0.27 0.00 0.52 0.00 0.00 0.00 179.25 180.03 1tlg h MET 33 N 0.00 0.00 -0.01 0.00 2.86 -1.09 -2.60 114.93 114.09 1tlg h MET 33 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1tlg h MET 33 Cb 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 1tlg h MET 33 CO 0.03 0.00 -0.36 0.54 1.06 0.00 0.00 176.91 178.17 1tlg n ARG 34 N -3.09 0.68 -3.31 1.72 1.74 -0.68 -4.72 116.66 109.00 1tlg n ARG 34 Ca 0.01 -0.43 -0.41 0.00 -0.77 0.00 0.00 57.85 56.25 1tlg n ARG 34 Cb 0.32 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 30.19 1tlg n ARG 34 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1tlg s ASP 35 N -2.62 6.28 0.22 0.55 -1.08 -0.99 -4.99 116.67 114.05 1tlg s ASP 35 Ca 0.20 0.05 -0.10 0.00 -0.52 0.00 0.00 52.55 52.18 1tlg s ASP 35 Cb 0.19 -2.24 0.32 0.00 -1.46 0.00 0.00 42.92 39.73 1tlg s ASP 35 CO 0.58 -0.36 1.65 0.77 0.52 0.00 0.00 175.17 178.32 1tlg h SER 36 N 8.35 -0.33 0.14 -0.34 4.64 -1.88 0.19 113.55 124.32 1tlg h SER 36 Ca -0.29 0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.19 1tlg h SER 36 Cb 1.14 0.30 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 1tlg h SER 36 CO 0.72 -0.14 -0.07 0.74 -0.87 0.00 0.00 176.83 177.21 1tlg h THR 37 N 0.10 1.00 -0.56 2.95 2.02 -1.94 -3.19 112.91 113.29 1tlg h THR 37 Ca 0.34 -1.09 0.07 0.00 0.77 0.00 0.00 66.41 66.51 1tlg h THR 37 Cb 0.56 1.63 -0.06 0.00 -1.74 0.00 0.00 68.15 68.54 1tlg h THR 37 CO -0.58 0.24 0.23 0.24 0.37 0.00 0.00 175.52 176.02 1tlg h MET 38 N -0.75 0.43 -0.97 6.66 2.86 -1.73 -2.48 114.93 118.95 1tlg h MET 38 Ca -0.02 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1tlg h MET 38 Cb 0.53 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.05 1tlg h MET 38 CO 0.03 0.28 0.61 -0.24 1.06 0.00 0.00 176.91 178.65 1tlg h VAL 39 N 0.44 1.26 -0.21 -2.22 3.04 -0.58 0.65 116.25 118.62 1tlg h VAL 39 Ca 0.27 -0.52 -0.10 0.00 -1.01 0.00 0.00 66.70 65.34 1tlg h VAL 39 Cb 0.28 -0.14 -0.01 0.00 -2.01 0.00 0.00 31.29 29.41 1tlg h VAL 39 CO -0.25 0.26 -0.29 0.11 -1.01 0.00 0.00 177.57 176.40 1tlg h LYS 40 N 1.33 0.42 -0.27 4.17 1.79 -1.45 0.61 116.57 123.16 1tlg h LYS 40 Ca 0.35 -0.16 -0.06 0.00 -2.18 0.00 0.00 60.65 58.59 1tlg h LYS 40 Cb -0.10 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.52 1tlg h LYS 40 CO -0.07 0.67 -0.08 0.00 -1.08 0.00 0.00 179.45 178.89 1tlg h ALA 41 N 1.33 0.38 -0.68 3.86 0.00 -0.91 -1.26 119.26 121.99 1tlg h ALA 41 Ca 0.05 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1tlg h ALA 41 Cb 0.69 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1tlg h ALA 41 CO 0.05 0.20 0.45 0.82 0.00 0.00 0.00 179.25 180.77 1tlg h ILE 42 N 0.28 1.17 0.00 0.00 2.04 -0.53 -2.39 117.51 118.09 1tlg h ILE 42 Ca 0.07 -0.32 -0.10 0.00 1.00 0.00 0.00 64.86 65.52 1tlg h ILE 42 Cb 0.56 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1tlg h ILE 42 CO 0.03 0.17 -0.45 -0.07 0.00 0.00 0.00 178.15 177.82 1tlg h LEU 43 N 0.92 0.00 -0.72 1.44 3.38 -0.79 -2.55 115.31 116.99 1tlg h LEU 43 Ca 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 1tlg h LEU 43 Cb -0.11 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1tlg h LEU 43 CO -0.05 0.45 0.38 0.00 0.09 0.00 0.00 178.44 179.31 1tlg h ALA 44 N 1.55 0.93 0.49 1.53 0.00 -0.72 -0.32 119.26 122.72 1tlg h ALA 44 Ca -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1tlg h ALA 44 Cb 0.96 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1tlg h ALA 44 CO 0.06 0.47 -0.23 0.35 0.00 0.00 0.00 179.25 179.89 1tlg h PHE 45 N 1.01 -0.61 -0.06 0.00 3.04 -1.28 -2.71 116.94 116.33 1tlg h PHE 45 Ca 0.25 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.16 1tlg h PHE 45 Cb 0.07 0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.78 1tlg h PHE 45 CO 0.00 -0.29 -0.10 1.79 -2.02 0.00 0.00 178.31 177.69 1tlg h THR 46 N -0.90 1.11 -0.49 4.41 1.35 -1.45 -1.74 112.91 115.20 1tlg h THR 46 Ca -0.07 -0.50 -0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1tlg h THR 46 Cb 0.59 1.18 -0.02 0.00 -1.73 0.00 0.00 68.15 68.17 1tlg h THR 46 CO 0.11 0.15 0.30 -0.08 -0.25 0.00 0.00 175.52 175.75 1tlg h GLU 47 N 0.08 0.67 -0.27 4.72 4.22 -0.99 -0.21 114.58 122.81 1tlg h GLU 47 Ca 0.02 -0.06 -0.02 0.00 0.08 0.00 0.00 59.36 59.38 1tlg h GLU 47 Cb 0.24 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1tlg h GLU 47 CO 0.01 0.49 0.11 0.28 -2.18 0.00 0.00 179.01 177.72 1tlg h VAL 48 N 0.66 1.17 0.00 0.32 2.07 -1.00 -2.93 116.25 116.54 1tlg h VAL 48 Ca 0.18 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1tlg h VAL 48 Cb -0.01 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1tlg h VAL 48 CO -0.03 0.18 -0.14 0.11 0.02 0.00 0.00 177.57 177.71 1tlg h LYS 49 N 0.28 0.00 -3.32 1.57 1.79 -1.15 -3.46 116.57 112.29 1tlg h LYS 49 Ca 0.09 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.21 1tlg h LYS 49 Cb 0.18 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 1tlg h LYS 49 CO -0.01 0.14 -0.46 0.41 -1.08 0.00 0.00 179.45 178.45 1tlg n GLY 50 N -1.00 -0.50 3.50 3.86 0.00 -0.11 -4.98 105.19 105.96 1tlg n GLY 50 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 1tlg n GLY 50 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1tlg s HIS 51 N -2.89 2.24 0.32 1.61 4.02 -1.26 -4.82 115.29 114.52 1tlg s HIS 51 Ca 0.00 -0.56 -0.27 0.00 1.02 0.00 0.00 55.06 55.26 1tlg s HIS 51 Cb -0.00 -1.27 -0.09 0.00 -1.02 0.00 0.00 32.58 30.20 1tlg s HIS 51 CO 0.00 0.49 1.00 -0.51 1.02 0.00 0.00 174.74 176.74 1tlg s ASP 52 N -3.55 7.21 0.01 1.40 1.01 -1.26 -4.29 116.67 117.21 1tlg s ASP 52 Ca 0.31 1.98 0.00 0.00 0.71 0.00 0.00 52.55 55.56 1tlg s ASP 52 Cb 0.02 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.35 1tlg s ASP 52 CO 0.15 -0.17 -0.03 -0.31 0.21 0.00 0.00 175.17 175.03 1tlg s TYR 53 N -1.49 0.22 0.65 4.23 1.51 -0.86 -2.41 117.35 119.21 1tlg s TYR 53 Ca 0.50 -0.35 -0.11 0.00 -1.01 0.00 0.00 57.07 56.10 1tlg s TYR 53 Cb -0.23 -0.15 -0.02 0.00 -0.11 0.00 0.00 41.96 41.45 1tlg s TYR 53 CO 0.29 -0.12 1.04 -1.58 -1.11 0.00 0.00 175.55 174.08 1tlg s TRP 54 N -0.95 3.45 0.08 2.71 0.52 0.51 0.51 118.94 125.77 1tlg s TRP 54 Ca -0.10 1.31 0.01 0.00 0.02 0.00 0.00 56.10 57.34 1tlg s TRP 54 Cb -0.07 -2.79 -0.04 0.00 -1.15 0.00 0.00 33.47 29.42 1tlg s TRP 54 CO -0.01 -0.90 -0.05 0.14 0.02 0.00 0.00 176.95 176.15 1tlg s VAL 55 N -3.15 0.55 -0.97 4.03 -7.23 -0.83 -4.08 120.40 108.71 1tlg s VAL 55 Ca 0.56 -1.89 -0.08 0.00 -1.81 0.00 0.00 61.98 58.77 1tlg s VAL 55 Cb -0.12 -1.62 -0.11 0.00 0.56 0.00 0.00 36.38 35.09 1tlg s VAL 55 CO 0.54 -0.91 3.10 0.61 -0.31 0.00 0.00 175.10 178.13 1tlg n GLY 56 N 0.02 3.97 2.99 2.32 0.00 0.14 -4.53 105.19 110.09 1tlg n GLY 56 Ca -0.13 -1.50 -0.13 0.00 0.00 0.00 0.00 46.02 44.26 1tlg n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tlg s ALA 57 N 1.09 0.37 0.25 4.61 0.00 -1.26 0.48 121.76 127.30 1tlg s ALA 57 Ca 0.66 -0.48 -0.21 0.00 0.00 0.00 0.00 51.96 51.93 1tlg s ALA 57 Cb 0.24 0.01 0.05 0.00 0.00 0.00 0.00 23.12 23.43 1tlg s ALA 57 CO -0.06 -0.01 0.88 0.16 0.00 0.00 0.00 175.76 176.73 1tlg s ASP 58 N -0.93 -0.12 -0.18 0.00 1.47 -0.66 -1.01 116.67 115.24 1tlg s ASP 58 Ca -0.06 -0.68 0.16 0.00 1.18 0.00 0.00 52.55 53.14 1tlg s ASP 58 Cb -0.06 0.64 0.42 0.00 -0.34 0.00 0.00 42.92 43.57 1tlg s ASP 58 CO -0.00 -1.22 1.30 -0.46 0.68 0.00 0.00 175.17 175.47 1tlg n ASN 59 N -0.83 2.85 0.12 2.11 6.94 0.17 -0.71 115.26 125.90 1tlg n ASN 59 Ca -0.05 -3.24 0.04 0.00 -0.02 0.00 0.00 54.58 51.31 1tlg n ASN 59 Cb 0.60 -0.51 0.47 0.00 -2.36 0.00 0.00 39.78 37.98 1tlg n ASN 59 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 1tlg h LEU 60 N 0.87 0.25 0.00 -4.53 3.38 -1.89 0.69 115.31 114.08 1tlg h LEU 60 Ca 0.03 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1tlg h LEU 60 Cb 1.25 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1tlg h LEU 60 CO 0.13 0.27 -0.00 -0.61 0.09 0.00 0.00 178.44 178.32 1tlg h GLN 61 N 0.28 0.00 -0.01 1.13 4.15 -1.91 -3.40 115.11 115.35 1tlg h GLN 61 Ca 0.07 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.49 1tlg h GLN 61 Cb 0.13 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.82 1tlg h GLN 61 CO -0.00 0.92 -0.18 -0.25 -1.93 0.00 0.00 178.83 177.38 1tlg n ASP 62 N -4.65 1.46 -0.90 -0.69 8.00 -1.21 -5.12 116.55 113.44 1tlg n ASP 62 Ca -0.10 -1.23 0.12 0.00 0.71 0.00 0.00 54.79 54.29 1tlg n ASP 62 Cb 0.44 0.36 -0.04 0.00 -0.02 0.00 0.00 41.12 41.87 1tlg n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1tlg n GLY 63 N 0.89 -2.13 7.00 0.44 0.00 0.24 -4.78 105.19 106.86 1tlg n GLY 63 Ca 0.05 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1tlg n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tlg n ALA 64 N -2.58 0.00 -1.48 4.61 0.00 -1.22 -1.62 120.51 118.21 1tlg n ALA 64 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.06 1tlg n ALA 64 Cb 0.42 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.93 1tlg n ALA 64 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1tlg n TYR 65 N 14.00 3.15 -2.84 0.00 4.01 -1.26 -4.65 117.16 129.58 1tlg n TYR 65 Ca 0.00 -2.84 -0.41 0.00 -0.16 0.00 0.00 57.90 54.49 1tlg n TYR 65 Cb 0.00 -1.38 0.01 0.00 -0.31 0.00 0.00 39.34 37.66 1tlg n TYR 65 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1tlg n ASN 66 N -0.80 6.74 -4.71 7.72 3.02 -0.64 -4.71 115.26 121.88 1tlg n ASN 66 Ca 0.60 -3.56 -0.42 0.00 -0.03 0.00 0.00 54.58 51.17 1tlg n ASN 66 Cb 0.54 -1.17 -0.03 0.00 -0.61 0.00 0.00 39.78 38.51 1tlg n ASN 66 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1tlg s PHE 67 N -3.58 3.05 -0.01 3.10 0.08 -1.26 -4.58 117.98 114.78 1tlg s PHE 67 Ca 0.36 0.75 0.07 0.00 0.12 0.00 0.00 56.93 58.23 1tlg s PHE 67 Cb 0.13 -3.80 -0.02 0.00 -0.57 0.00 0.00 43.02 38.76 1tlg s PHE 67 CO -0.02 -2.95 -0.23 -0.51 -0.10 0.00 0.00 175.22 171.41 1tlg s LEU 68 N 1.39 2.05 0.56 -0.37 1.43 0.11 -0.43 118.68 123.43 1tlg s LEU 68 Ca 0.68 -0.43 -0.17 0.00 -1.03 0.00 0.00 54.13 53.18 1tlg s LEU 68 Cb -0.39 -1.18 -0.05 0.00 0.03 0.00 0.00 46.19 44.59 1tlg s LEU 68 CO 0.31 0.28 1.05 0.26 0.23 0.00 0.00 176.35 178.48 1tlg s TRP 69 N -0.56 2.98 -0.13 0.29 0.52 0.10 -1.65 118.94 120.50 1tlg s TRP 69 Ca 0.09 1.53 0.18 0.00 0.02 0.00 0.00 56.10 57.92 1tlg s TRP 69 Cb -0.09 -3.03 0.98 0.00 -1.15 0.00 0.00 33.47 30.18 1tlg s TRP 69 CO -0.01 -1.05 1.51 0.09 0.02 0.00 0.00 176.95 177.51 1tlg n ASN 70 N -1.73 0.47 -1.69 2.95 3.02 0.18 -1.61 115.26 116.85 1tlg n ASN 70 Ca 0.09 0.68 0.08 0.00 -0.03 0.00 0.00 54.58 55.40 1tlg n ASN 70 Cb 0.53 -0.70 0.37 0.00 -0.61 0.00 0.00 39.78 39.37 1tlg n ASN 70 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1tlg n ASP 71 N -2.17 5.16 0.00 6.41 5.75 -1.26 -4.94 116.55 125.49 1tlg n ASP 71 Ca -0.01 -2.69 0.00 0.00 -0.01 0.00 0.00 54.79 52.08 1tlg n ASP 71 Cb 0.14 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 39.61 1tlg n ASP 71 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1tlg n GLY 72 N 0.82 2.59 3.76 6.12 0.00 -0.63 -5.04 105.19 112.81 1tlg n GLY 72 Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.89 1tlg n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tlg s VAL 73 N -2.28 3.78 0.26 1.61 1.01 -1.26 -4.80 120.40 118.73 1tlg s VAL 73 Ca 0.00 1.74 -0.30 0.00 0.00 0.00 0.00 61.98 63.43 1tlg s VAL 73 Cb 0.00 -4.09 -0.09 0.00 0.00 0.00 0.00 36.38 32.20 1tlg s VAL 73 CO 0.00 0.38 1.09 -0.55 0.00 0.00 0.00 175.10 176.02 1tlg s SER 74 N -1.10 7.29 -0.50 3.32 0.15 -1.26 0.00 113.70 121.61 1tlg s SER 74 Ca 0.44 2.22 -0.13 0.00 0.70 0.00 0.00 55.95 59.18 1tlg s SER 74 Cb -0.28 -2.62 0.12 0.00 -1.71 0.00 0.00 66.02 61.52 1tlg s SER 74 CO 0.35 -0.13 0.42 -0.22 1.20 0.00 0.00 173.24 174.87 1tlg s LEU 75 N -1.28 5.90 0.01 3.45 0.20 0.43 -4.82 118.68 122.57 1tlg s LEU 75 Ca 0.45 -1.74 -0.34 0.00 0.69 0.00 0.00 54.13 53.18 1tlg s LEU 75 Cb -0.31 -2.13 -0.13 0.00 -0.43 0.00 0.00 46.19 43.19 1tlg s LEU 75 CO 0.40 -0.76 1.74 -2.65 -0.29 0.00 0.00 176.35 174.78 1tlg n PRO 76 N 5.12 2.11 0.13 0.98 -0.02 -1.26 -4.31 135.00 137.74 1tlg n PRO 76 Ca -0.12 0.77 0.19 0.00 -2.02 0.00 0.00 63.50 62.32 1tlg n PRO 76 Cb 0.41 -2.57 0.69 0.00 -0.02 0.00 0.00 33.50 32.01 1tlg n PRO 76 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1tlg h THR 77 N 4.64 0.22 -0.40 3.45 2.02 -1.93 0.61 112.91 121.51 1tlg h THR 77 Ca -0.47 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 66.59 1tlg h THR 77 Cb 1.27 0.55 -0.07 0.00 -1.74 0.00 0.00 68.15 68.15 1tlg h THR 77 CO 0.92 0.00 0.05 -0.90 0.37 0.00 0.00 175.52 175.95 1tlg n ASP 78 N -3.39 3.53 -4.75 4.18 5.75 -1.26 -4.60 116.55 116.00 1tlg n ASP 78 Ca 0.06 -3.34 -0.37 0.00 -0.01 0.00 0.00 54.79 51.13 1tlg n ASP 78 Cb 0.68 -0.62 0.03 0.00 -1.03 0.00 0.00 41.12 40.18 1tlg n ASP 78 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1tlg s SER 79 N -1.99 5.34 0.00 -1.12 0.15 0.21 -4.87 113.70 111.43 1tlg s SER 79 Ca 0.46 2.56 0.12 0.00 0.70 0.00 0.00 55.95 59.78 1tlg s SER 79 Cb 0.39 -2.62 0.54 0.00 -1.71 0.00 0.00 66.02 62.61 1tlg s SER 79 CO 0.06 -1.50 1.34 0.47 1.20 0.00 0.00 173.24 174.82 1tlg n ASP 80 N -1.18 0.00 0.24 5.45 9.92 -1.26 -2.48 116.55 127.24 1tlg n ASP 80 Ca 0.11 0.36 0.12 0.00 -0.53 0.00 0.00 54.79 54.86 1tlg n ASP 80 Cb 0.47 -0.42 0.46 0.00 -0.64 0.00 0.00 41.12 40.99 1tlg n ASP 80 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1tlg h LEU 81 N 0.00 0.00 -9.81 0.64 3.38 -1.94 -3.46 115.31 104.12 1tlg h LEU 81 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 1tlg h LEU 81 Cb 0.17 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.94 1tlg h LEU 81 CO 0.00 0.13 0.50 0.26 0.09 0.00 0.00 178.44 179.42 1tlg s TRP 82 N -3.54 3.50 0.95 1.13 0.52 -1.03 -0.68 118.94 119.79 1tlg s TRP 82 Ca 0.02 1.65 -0.11 0.00 0.02 0.00 0.00 56.10 57.68 1tlg s TRP 82 Cb 0.09 -3.34 0.16 0.00 -1.15 0.00 0.00 33.47 29.23 1tlg s TRP 82 CO 0.62 -0.75 1.12 -1.12 0.02 0.00 0.00 176.95 176.84 1tlg s SER 83 N -0.77 2.68 0.24 2.95 0.01 0.11 -4.71 113.70 114.21 1tlg s SER 83 Ca 0.45 2.05 -0.31 0.00 1.31 0.00 0.00 55.95 59.45 1tlg s SER 83 Cb -0.33 -2.52 -0.13 0.00 0.21 0.00 0.00 66.02 63.26 1tlg s SER 83 CO 0.42 -3.23 1.54 -2.65 0.41 0.00 0.00 173.24 169.74 1tlg n PRO 84 N -4.31 2.38 -2.75 12.44 -0.02 -1.26 -2.44 135.00 139.04 1tlg n PRO 84 Ca 0.10 0.85 -0.18 0.00 -2.02 0.00 0.00 63.50 62.25 1tlg n PRO 84 Cb 0.53 -2.59 0.02 0.00 -0.02 0.00 0.00 33.50 31.43 1tlg n PRO 84 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1tlg n ASN 85 N 2.62 -5.34 -4.07 2.55 5.03 -1.26 -5.01 115.26 109.77 1tlg n ASN 85 Ca 0.12 -0.18 -0.11 0.00 0.87 0.00 0.00 54.58 55.28 1tlg n ASN 85 Cb 0.33 -4.24 -0.11 0.00 -1.02 0.00 0.00 39.78 34.74 1tlg n ASN 85 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1tlg s GLU 86 N -5.34 0.55 0.51 3.52 0.41 -1.02 -4.31 118.70 113.02 1tlg s GLU 86 Ca 0.19 -0.90 -0.20 0.00 -0.41 0.00 0.00 54.97 53.65 1tlg s GLU 86 Cb -0.08 -0.11 -0.07 0.00 -1.78 0.00 0.00 34.13 32.09 1tlg s GLU 86 CO 0.23 -0.01 1.08 -1.25 -0.49 0.00 0.00 175.26 174.82 1tlg s PRO 87 N -2.33 3.61 0.00 0.39 0.04 -1.26 -4.65 135.00 130.80 1tlg s PRO 87 Ca -0.05 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.46 1tlg s PRO 87 Cb -0.04 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1tlg s PRO 87 CO -0.02 -0.61 0.00 -1.13 0.04 0.00 0.00 177.00 175.27 1tlg n SER 88 N -1.11 0.00 -4.76 6.66 3.41 -1.26 -5.05 113.62 111.51 1tlg n SER 88 Ca 0.10 -0.67 -0.31 0.00 -0.26 0.00 0.00 58.87 57.74 1tlg n SER 88 Cb 0.52 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.57 1tlg n SER 88 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1tlg s ASN 89 N 0.00 4.31 0.02 4.04 -0.87 -1.26 -4.90 114.94 116.28 1tlg s ASN 89 Ca 0.00 1.72 -0.34 0.00 -1.57 0.00 0.00 52.86 52.68 1tlg s ASN 89 Cb 0.00 -2.43 -0.12 0.00 -0.02 0.00 0.00 41.25 38.68 1tlg s ASN 89 CO 0.00 -2.14 1.76 -2.65 -2.57 0.00 0.00 177.10 171.50 1tlg n PRO 90 N -3.59 2.22 0.00 -0.60 -0.02 -1.26 -4.83 135.00 126.93 1tlg n PRO 90 Ca 0.08 0.81 0.02 0.00 -2.02 0.00 0.00 63.50 62.40 1tlg n PRO 90 Cb 0.54 -2.63 0.13 0.00 -0.02 0.00 0.00 33.50 31.51 1tlg n PRO 90 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1tlg n GLN 91 N 5.37 0.12 0.05 -0.52 6.02 -1.26 -1.71 117.38 125.46 1tlg n GLN 91 Ca 0.20 0.07 0.11 0.00 -0.01 0.00 0.00 57.00 57.37 1tlg n GLN 91 Cb 0.30 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 30.09 1tlg n GLN 91 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1tlg n SER 92 N -1.08 0.64 -4.83 1.08 3.41 -1.26 -3.41 113.62 108.17 1tlg n SER 92 Ca 0.03 0.02 -0.31 0.00 -0.26 0.00 0.00 58.87 58.35 1tlg n SER 92 Cb 0.02 0.66 0.03 0.00 -0.26 0.00 0.00 64.21 64.67 1tlg n SER 92 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1tlg s TRP 93 N -3.26 3.26 -0.33 7.33 0.52 -0.69 -4.96 118.94 120.81 1tlg s TRP 93 Ca 0.02 1.39 -0.29 0.00 0.02 0.00 0.00 56.10 57.24 1tlg s TRP 93 Cb 0.13 -2.84 0.01 0.00 -1.15 0.00 0.00 33.47 29.62 1tlg s TRP 93 CO 0.79 -1.03 1.18 -0.65 0.02 0.00 0.00 176.95 177.25 1tlg s GLN 94 N -4.97 3.96 -0.11 4.98 -0.21 -1.26 -4.63 119.66 117.42 1tlg s GLN 94 Ca 0.58 1.08 0.02 0.00 0.02 0.00 0.00 55.36 57.05 1tlg s GLN 94 Cb -0.13 -3.82 -0.01 0.00 1.00 0.00 0.00 33.01 30.05 1tlg s GLN 94 CO 0.52 -1.06 -0.18 -0.51 -2.12 0.00 0.00 175.29 171.95 1tlg s LEU 95 N 4.06 2.46 0.23 2.90 1.43 -1.26 -4.25 118.68 124.24 1tlg s LEU 95 Ca 0.50 -0.42 0.09 0.00 -1.03 0.00 0.00 54.13 53.28 1tlg s LEU 95 Cb -0.13 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 1tlg s LEU 95 CO 0.21 0.17 -0.07 0.00 0.23 0.00 0.00 176.35 176.89 1tlg s VAL 97 N -2.05 4.00 0.24 0.00 1.01 -0.18 -1.14 120.40 122.28 1tlg s VAL 97 Ca 0.28 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1tlg s VAL 97 Cb -0.07 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 1tlg s VAL 97 CO 0.17 0.55 0.07 0.00 0.00 0.00 0.00 175.10 175.89 1tlg s GLN 98 N -1.01 1.34 -0.44 2.72 -2.07 -0.66 -1.96 119.66 117.58 1tlg s GLN 98 Ca 0.14 -1.71 -0.18 0.00 -1.82 0.00 0.00 55.36 51.80 1tlg s GLN 98 Cb -0.11 -0.26 0.03 0.00 -1.09 0.00 0.00 33.01 31.57 1tlg s GLN 98 CO 0.04 -0.25 0.49 0.42 -1.32 0.00 0.00 175.29 174.66 1tlg s ILE 99 N -3.73 5.03 -0.22 3.63 1.01 0.18 -0.85 121.20 126.25 1tlg s ILE 99 Ca 0.34 -0.33 -0.23 0.00 0.00 0.00 0.00 60.65 60.44 1tlg s ILE 99 Cb 0.07 -4.10 -0.02 0.00 0.01 0.00 0.00 42.46 38.43 1tlg s ILE 99 CO 0.11 -0.50 0.73 0.86 0.00 0.00 0.00 174.94 176.14 1tlg s TRP 100 N 2.28 3.34 0.60 3.97 -0.00 -0.12 -2.02 118.94 126.98 1tlg s TRP 100 Ca 0.14 1.02 0.29 0.00 -0.00 0.00 0.00 56.10 57.55 1tlg s TRP 100 Cb -0.17 -2.93 1.64 0.00 -0.00 0.00 0.00 33.47 32.01 1tlg s TRP 100 CO 0.14 -0.30 2.05 0.66 -0.00 0.00 0.00 176.95 179.50 1tlg h SER 101 N 7.63 0.00 -0.90 5.86 4.64 -1.87 1.39 113.55 130.30 1tlg h SER 101 Ca -0.27 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.13 1tlg h SER 101 Cb 1.12 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.14 1tlg h SER 101 CO 0.82 0.00 0.55 0.50 -0.87 0.00 0.00 176.83 177.83 1tlg h LYS 102 N 0.00 0.92 0.00 4.77 3.64 -1.92 -3.27 116.57 120.71 1tlg h LYS 102 Ca 0.11 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1tlg h LYS 102 Cb 0.65 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1tlg h LYS 102 CO -0.00 0.61 0.00 0.66 -2.27 0.00 0.00 179.45 178.45 1tlg n TYR 103 N -4.64 0.00 -3.41 1.91 4.01 -0.68 -5.00 117.16 109.35 1tlg n TYR 103 Ca 0.14 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.65 1tlg n TYR 103 Cb 0.24 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.33 1tlg n TYR 103 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1tlg n ASN 104 N -0.60 -6.29 -4.19 7.72 4.05 0.47 -4.98 115.26 111.44 1tlg n ASN 104 Ca 0.00 -0.46 -0.11 0.00 0.45 0.00 0.00 54.58 54.46 1tlg n ASN 104 Cb 0.01 -4.99 -0.10 0.00 1.23 0.00 0.00 39.78 35.93 1tlg n ASN 104 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1tlg s LEU 105 N -7.11 1.89 0.61 1.20 1.43 -1.19 -4.88 118.68 110.63 1tlg s LEU 105 Ca 0.50 -1.20 -0.18 0.00 -1.03 0.00 0.00 54.13 52.21 1tlg s LEU 105 Cb -0.22 0.15 -0.03 0.00 0.03 0.00 0.00 46.19 46.13 1tlg s LEU 105 CO 0.61 -0.67 1.20 -0.76 0.23 0.00 0.00 176.35 176.96 1tlg s LEU 106 N -3.11 3.63 -0.02 1.79 1.43 0.14 -0.95 118.68 121.59 1tlg s LEU 106 Ca 0.25 2.36 -0.21 0.00 -1.03 0.00 0.00 54.13 55.50 1tlg s LEU 106 Cb 0.07 -4.60 0.04 0.00 0.03 0.00 0.00 46.19 41.74 1tlg s LEU 106 CO 0.03 -1.64 0.46 -0.62 0.23 0.00 0.00 176.35 174.81 1tlg s ASP 107 N -1.68 -0.38 -0.15 2.29 2.15 -0.03 0.05 116.67 118.92 1tlg s ASP 107 Ca 0.77 0.33 -0.11 0.00 0.43 0.00 0.00 52.55 53.96 1tlg s ASP 107 Cb -0.30 0.41 -0.05 0.00 -0.30 0.00 0.00 42.92 42.69 1tlg s ASP 107 CO 0.34 -0.53 0.21 1.51 -0.17 0.00 0.00 175.17 176.54 1tlg s ASP 108 N -1.33 6.38 0.26 -0.34 -4.77 -1.26 -1.65 116.67 113.95 1tlg s ASP 108 Ca -0.12 0.44 0.00 0.00 -3.30 0.00 0.00 52.55 49.58 1tlg s ASP 108 Cb -0.03 -2.13 -0.03 0.00 -1.09 0.00 0.00 42.92 39.64 1tlg s ASP 108 CO 0.06 0.22 0.24 0.68 0.70 0.00 0.00 175.17 177.07 1tlg s VAL 109 N -0.05 0.00 0.76 2.11 -7.23 -0.29 -4.67 120.40 111.03 1tlg s VAL 109 Ca 0.14 -1.91 -0.11 0.00 -1.81 0.00 0.00 61.98 58.29 1tlg s VAL 109 Cb -0.12 -2.49 0.05 0.00 0.56 0.00 0.00 36.38 34.38 1tlg s VAL 109 CO 0.03 0.00 1.09 -0.83 -0.31 0.00 0.00 175.10 175.07 1tlg s GLY 110 N -3.22 1.67 0.00 2.32 0.00 -1.26 -1.23 107.32 105.61 1tlg s GLY 110 Ca 0.37 0.22 0.15 0.00 0.00 0.00 0.00 44.72 45.46 1tlg s GLY 110 CO 0.17 0.56 1.37 0.00 0.00 0.00 0.00 173.10 175.20 1tlg n GLY 112 N 1.18 -1.24 3.77 0.00 0.00 -1.26 -2.52 105.19 105.12 1tlg n GLY 112 Ca 0.15 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 1tlg n GLY 112 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1tlg s GLY 113 N -4.64 2.66 -0.05 -0.02 0.00 -1.26 -4.68 107.32 99.32 1tlg s GLY 113 Ca -0.03 0.85 -0.27 0.00 0.00 0.00 0.00 44.72 45.27 1tlg s GLY 113 CO 0.82 1.21 0.84 0.00 0.00 0.00 0.00 173.10 175.98 1tlg s ALA 114 N -1.74 3.27 0.13 3.20 0.00 -1.26 -4.10 121.76 121.26 1tlg s ALA 114 Ca 0.72 0.31 -0.04 0.00 0.00 0.00 0.00 51.96 52.95 1tlg s ALA 114 Cb -0.25 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 1tlg s ALA 114 CO 0.28 -0.21 0.14 1.03 0.00 0.00 0.00 175.76 177.00 1tlg s ARG 115 N 1.01 0.96 0.81 0.00 0.52 -0.12 -4.72 118.95 117.41 1tlg s ARG 115 Ca 0.44 -1.28 -0.10 0.00 -0.52 0.00 0.00 55.73 54.27 1tlg s ARG 115 Cb -0.19 0.29 0.08 0.00 0.52 0.00 0.00 34.95 35.65 1tlg s ARG 115 CO 0.22 -0.30 1.10 1.03 0.02 0.00 0.00 175.30 177.37 1tlg s ARG 116 N -3.99 1.97 0.04 3.54 0.52 -1.01 -1.31 118.95 118.70 1tlg s ARG 116 Ca 0.18 1.22 0.09 0.00 -0.52 0.00 0.00 55.73 56.70 1tlg s ARG 116 Cb 0.06 -1.86 -0.03 0.00 0.52 0.00 0.00 34.95 33.64 1tlg s ARG 116 CO -0.01 -1.86 -0.26 0.08 0.02 0.00 0.00 175.30 173.26 1tlg s VAL 117 N -2.86 2.15 -0.12 3.52 1.01 -1.07 -0.36 120.40 122.68 1tlg s VAL 117 Ca 0.62 -1.35 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 1tlg s VAL 117 Cb -0.18 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.40 1tlg s VAL 117 CO 0.56 0.39 -0.09 -0.63 0.00 0.00 0.00 175.10 175.34 1tlg s ILE 118 N -0.78 1.17 0.18 2.22 1.01 -1.26 -0.61 121.20 123.13 1tlg s ILE 118 Ca 0.12 -0.38 0.09 0.00 0.00 0.00 0.00 60.65 60.47 1tlg s ILE 118 Cb -0.10 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 1tlg s ILE 118 CO 0.02 0.39 -0.07 0.00 0.00 0.00 0.00 174.94 175.28 1tlg s GLU 120 N -2.90 1.09 -0.19 0.00 -1.05 0.20 -0.76 118.70 115.10 1tlg s GLU 120 Ca 0.26 -1.40 -0.04 0.00 -0.15 0.00 0.00 54.97 53.64 1tlg s GLU 120 Cb -0.09 -0.82 0.09 0.00 -0.44 0.00 0.00 34.13 32.88 1tlg s GLU 120 CO 0.16 0.13 0.28 0.21 0.95 0.00 0.00 175.26 176.99 1tlg s LYS 121 N -3.32 0.22 0.41 -4.83 2.20 -0.79 -0.77 119.74 112.86 1tlg s LYS 121 Ca 0.15 0.51 -0.25 0.00 -0.36 0.00 0.00 55.97 56.02 1tlg s LYS 121 Cb -0.01 -0.55 -0.08 0.00 -1.51 0.00 0.00 37.83 35.68 1tlg s LYS 121 CO 0.03 -0.50 1.17 -2.00 -0.36 0.00 0.00 175.35 173.69 1tlg s GLU 122 N 2.42 4.00 -0.17 4.03 2.12 -1.26 -0.54 118.70 129.29 1tlg s GLU 122 Ca 0.06 1.83 0.01 0.00 0.36 0.00 0.00 54.97 57.23 1tlg s GLU 122 Cb -0.14 -2.62 0.02 0.00 0.26 0.00 0.00 34.13 31.64 1tlg s GLU 122 CO -0.12 -0.37 -0.19 -0.51 -0.54 0.00 0.00 175.26 173.53 1tlg s LEU 123 N -2.60 2.18 0.00 2.70 1.43 0.14 -4.87 118.68 117.66 1tlg s LEU 123 Ca 0.58 -0.62 0.09 0.00 -1.03 0.00 0.00 54.13 53.15 1tlg s LEU 123 Cb -0.30 -1.49 0.07 0.00 0.03 0.00 0.00 46.19 44.50 1tlg s LEU 123 CO 0.38 0.02 0.79 0.47 0.23 0.00 0.00 176.35 178.24