#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 0.35 -0.19 1.24 1.51 -1.26 -0.68 117.35 118.32 1tlg s TYR 3 Ca 0.00 -0.71 -0.06 0.00 -1.01 0.00 0.00 57.07 55.29 1tlg s TYR 3 Cb 0.00 0.05 -0.03 0.00 -0.11 0.00 0.00 41.96 41.86 1tlg s TYR 3 CO 0.00 -0.82 0.04 -1.21 -1.11 0.00 0.00 175.55 172.45 1tlg s GLU 4 N -3.98 3.82 -0.09 -0.62 2.02 -0.23 -4.86 118.70 114.76 1tlg s GLU 4 Ca 0.19 -0.42 0.02 0.00 0.02 0.00 0.00 54.97 54.77 1tlg s GLU 4 Cb 0.02 -3.16 0.01 0.00 0.10 0.00 0.00 34.13 31.10 1tlg s GLU 4 CO 0.03 0.15 -0.13 0.42 0.02 0.00 0.00 175.26 175.74 1tlg s ILE 5 N 0.67 1.31 -0.17 -1.63 -1.09 -1.26 -1.35 121.20 117.69 1tlg s ILE 5 Ca 0.02 -0.55 -0.00 0.00 -2.23 0.00 0.00 60.65 57.89 1tlg s ILE 5 Cb -0.14 -1.21 -0.00 0.00 -1.58 0.00 0.00 42.46 39.53 1tlg s ILE 5 CO 0.02 0.40 -0.14 -0.22 -1.23 0.00 0.00 174.94 173.77 1tlg s LEU 6 N 0.93 2.50 -0.15 2.97 2.96 0.04 -4.98 118.68 122.95 1tlg s LEU 6 Ca -0.09 -0.48 -0.04 0.00 -0.22 0.00 0.00 54.13 53.31 1tlg s LEU 6 Cb -0.15 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 1tlg s LEU 6 CO 0.00 0.06 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.71 1tlg s PHE 7 N 0.94 3.05 -0.08 5.38 0.08 -1.26 -0.45 117.98 125.64 1tlg s PHE 7 Ca -0.03 -0.21 0.03 0.00 0.12 0.00 0.00 56.93 56.85 1tlg s PHE 7 Cb -0.15 -1.94 0.01 0.00 -0.57 0.00 0.00 43.02 40.37 1tlg s PHE 7 CO -0.02 0.05 -0.18 0.45 -0.10 0.00 0.00 175.22 175.41 1tlg s SER 8 N 0.18 2.43 0.18 1.36 0.15 0.04 -5.00 113.70 113.04 1tlg s SER 8 Ca -0.01 -0.42 0.24 0.00 0.70 0.00 0.00 55.95 56.45 1tlg s SER 8 Cb -0.14 -1.06 0.91 0.00 -1.71 0.00 0.00 66.02 64.02 1tlg s SER 8 CO 0.03 0.11 1.73 0.47 1.20 0.00 0.00 173.24 176.78 1tlg n ASP 9 N 3.59 0.57 -4.75 5.45 8.00 -1.26 -2.57 116.55 125.59 1tlg n ASP 9 Ca -0.21 0.59 -0.41 0.00 0.71 0.00 0.00 54.79 55.48 1tlg n ASP 9 Cb 0.52 -0.73 -0.04 0.00 -0.02 0.00 0.00 41.12 40.85 1tlg n ASP 9 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1tlg s GLU 10 N -3.16 4.61 0.00 -1.24 2.56 -1.26 -4.84 118.70 115.37 1tlg s GLU 10 Ca 0.08 1.79 -0.02 0.00 0.00 0.00 0.00 54.97 56.82 1tlg s GLU 10 Cb 0.12 -3.22 -0.04 0.00 2.00 0.00 0.00 34.13 32.98 1tlg s GLU 10 CO 0.47 0.13 0.17 0.95 -0.56 0.00 0.00 175.26 176.43 1tlg s THR 11 N -0.75 5.33 0.22 -1.70 -4.23 -1.26 -4.03 115.64 109.21 1tlg s THR 11 Ca 0.47 -0.23 -0.21 0.00 -1.18 0.00 0.00 61.69 60.54 1tlg s THR 11 Cb -0.31 -3.50 0.04 0.00 1.34 0.00 0.00 72.50 70.06 1tlg s THR 11 CO 0.39 0.30 0.63 0.00 -0.54 0.00 0.00 174.62 175.39 1tlg s MET 12 N -2.01 1.51 1.17 3.99 0.23 -0.42 -4.73 119.30 119.05 1tlg s MET 12 Ca 0.28 -0.78 -0.19 0.00 -1.03 0.00 0.00 55.69 53.97 1tlg s MET 12 Cb -0.13 0.58 0.27 0.00 -1.53 0.00 0.00 34.83 34.03 1tlg s MET 12 CO 0.20 -0.67 1.14 0.54 -2.03 0.00 0.00 175.02 174.19 1tlg s ASN 13 N -2.85 1.21 0.17 -1.18 2.20 -1.26 -1.01 114.94 112.22 1tlg s ASN 13 Ca 0.07 0.59 -0.11 0.00 -0.94 0.00 0.00 52.86 52.47 1tlg s ASN 13 Cb -0.03 -0.81 0.06 0.00 -2.00 0.00 0.00 41.25 38.47 1tlg s ASN 13 CO -0.02 -3.94 1.66 0.22 -2.94 0.00 0.00 177.10 172.08 1tlg h TYR 14 N -2.46 1.03 -0.18 1.54 3.20 -1.67 -1.04 116.97 117.39 1tlg h TYR 14 Ca -0.45 -0.14 -0.01 0.00 3.14 0.00 0.00 58.73 61.27 1tlg h TYR 14 Cb 1.29 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 1tlg h TYR 14 CO -1.99 0.89 0.06 0.00 -1.64 0.00 0.00 178.16 175.49 1tlg h ALA 15 N 1.01 0.23 -0.22 1.82 0.00 -1.93 -2.11 119.26 118.06 1tlg h ALA 15 Ca 0.18 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1tlg h ALA 15 Cb 0.42 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1tlg h ALA 15 CO 0.01 -0.16 -0.26 -0.44 0.00 0.00 0.00 179.25 178.40 1tlg h ASP 16 N 0.12 0.41 -0.30 0.00 3.32 -1.91 -2.37 116.42 115.69 1tlg h ASP 16 Ca 0.06 -0.14 0.01 0.00 0.02 0.00 0.00 57.03 56.99 1tlg h ASP 16 Cb 0.20 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1tlg h ASP 16 CO -0.00 0.67 0.16 0.00 -1.72 0.00 0.00 179.24 178.35 1tlg h ALA 17 N 1.37 0.37 -0.11 3.45 0.00 -0.87 0.14 119.26 123.61 1tlg h ALA 17 Ca 0.05 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1tlg h ALA 17 Cb 0.65 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1tlg h ALA 17 CO 0.05 -0.21 -0.01 0.78 0.00 0.00 0.00 179.25 179.86 1tlg h GLY 18 N 0.34 0.10 1.84 0.00 0.00 -1.12 -1.79 103.07 102.44 1tlg h GLY 18 Ca 0.12 0.02 -0.07 0.00 0.00 0.00 0.00 47.33 47.40 1tlg h GLY 18 CO -0.06 -0.02 -0.24 -0.91 0.00 0.00 0.00 176.54 175.30 1tlg h THR 19 N 0.03 1.22 0.02 4.70 1.35 -1.21 -1.40 112.91 117.63 1tlg h THR 19 Ca 0.05 -1.03 0.01 0.00 -0.55 0.00 0.00 66.41 64.89 1tlg h THR 19 Cb 0.07 1.40 -0.01 0.00 -1.73 0.00 0.00 68.15 67.88 1tlg h THR 19 CO -0.10 0.31 -0.06 0.22 -0.25 0.00 0.00 175.52 175.64 1tlg h TYR 20 N 0.18 -0.16 -0.28 4.73 5.03 -0.19 0.01 116.97 126.30 1tlg h TYR 20 Ca 0.03 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.33 1tlg h TYR 20 Cb 0.52 0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.86 1tlg h TYR 20 CO 0.01 -0.10 0.11 0.00 -1.32 0.00 0.00 178.16 176.86 1tlg h GLN 22 N 0.29 0.97 0.00 0.00 1.08 -1.06 -0.09 115.11 116.30 1tlg h GLN 22 Ca 0.09 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1tlg h GLN 22 Cb 0.18 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.39 1tlg h GLN 22 CO -0.01 0.64 0.00 0.66 -0.95 0.00 0.00 178.83 179.18 1tlg h SER 23 N 1.00 0.00 -0.54 1.46 4.64 -0.90 -2.15 113.55 117.06 1tlg h SER 23 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 1tlg h SER 23 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1tlg h SER 23 CO -0.22 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.28 1tlg n ARG 24 N -2.91 2.49 -1.12 4.77 1.74 -0.20 -4.92 116.66 116.51 1tlg n ARG 24 Ca -0.00 -2.29 -0.04 0.00 -0.77 0.00 0.00 57.85 54.75 1tlg n ARG 24 Cb 0.22 -1.51 -0.02 0.00 -1.02 0.00 0.00 32.46 30.13 1tlg n ARG 24 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1tlg n GLY 25 N 1.52 0.68 1.55 -0.13 0.00 -0.81 -5.03 105.19 102.98 1tlg n GLY 25 Ca 0.21 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 1tlg n GLY 25 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1tlg n MET 26 N -2.88 1.10 -4.19 1.61 2.81 -0.30 -4.93 117.12 110.35 1tlg n MET 26 Ca -0.04 -1.59 -0.13 0.00 -1.81 0.00 0.00 57.70 54.13 1tlg n MET 26 Cb 0.13 0.65 -0.10 0.00 -0.71 0.00 0.00 33.22 33.19 1tlg n MET 26 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1tlg s ALA 27 N -2.45 1.15 0.25 3.04 0.00 -0.40 -2.81 121.76 120.55 1tlg s ALA 27 Ca 0.05 -1.28 -0.31 0.00 0.00 0.00 0.00 51.96 50.42 1tlg s ALA 27 Cb 0.00 0.06 -0.12 0.00 0.00 0.00 0.00 23.12 23.06 1tlg s ALA 27 CO 0.03 -0.09 1.57 -0.11 0.00 0.00 0.00 175.76 177.16 1tlg n LEU 28 N 0.28 3.81 -4.59 0.00 7.94 -1.26 0.25 117.00 123.43 1tlg n LEU 28 Ca -0.14 1.12 -0.51 0.00 -1.11 0.00 0.00 56.01 55.38 1tlg n LEU 28 Cb 0.59 -1.53 -0.05 0.00 0.53 0.00 0.00 43.42 42.96 1tlg n LEU 28 CO 0.28 -0.06 0.82 0.55 -1.11 0.00 0.00 177.39 177.87 1tlg n VAL 29 N 2.58 0.39 0.00 1.96 3.14 0.51 -4.25 118.33 122.65 1tlg n VAL 29 Ca 0.12 -0.10 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 1tlg n VAL 29 Cb 0.34 -0.83 0.00 0.00 -1.06 0.00 0.00 33.84 32.29 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 2.31 0.00 0.23 6.55 3.41 -1.26 0.38 113.62 125.23 1tlg n SER 30 Ca 0.17 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.84 1tlg n SER 30 Cb 0.21 0.28 0.53 0.00 -0.26 0.00 0.00 64.21 64.98 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 0.00 -0.00 4.04 4.64 -1.95 -0.90 113.55 119.37 1tlg h SER 31 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1tlg h SER 31 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1tlg h SER 31 CO 0.00 0.18 -0.08 0.00 -0.87 0.00 0.00 176.83 176.06 1tlg h ALA 32 N 1.82 1.62 0.00 5.18 0.00 -1.94 -1.82 119.26 124.12 1tlg h ALA 32 Ca -0.00 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1tlg h ALA 32 Cb 0.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1tlg h ALA 32 CO 0.02 0.28 -0.27 0.52 0.00 0.00 0.00 179.25 179.80 1tlg h MET 33 N 0.20 0.00 -0.00 0.00 2.86 -1.50 -2.74 114.93 113.74 1tlg h MET 33 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1tlg h MET 33 Cb 0.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1tlg h MET 33 CO 0.01 0.27 -0.32 0.54 1.06 0.00 0.00 176.91 178.47 1tlg n ARG 34 N -3.46 0.52 -3.04 1.72 1.74 -0.71 -4.69 116.66 108.74 1tlg n ARG 34 Ca -0.00 -0.29 -0.42 0.00 -0.77 0.00 0.00 57.85 56.37 1tlg n ARG 34 Cb 0.44 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.33 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 -2.68 6.47 0.27 0.55 -1.08 -1.04 -4.98 116.67 114.17 1tlg s ASP 35 Ca 0.20 0.18 -0.01 0.00 -0.52 0.00 0.00 52.55 52.41 1tlg s ASP 35 Cb 0.19 -2.36 0.57 0.00 -1.46 0.00 0.00 42.92 39.86 1tlg s ASP 35 CO 0.58 -0.69 1.72 0.77 0.52 0.00 0.00 175.17 178.07 1tlg h SER 36 N 8.53 0.34 -0.00 -0.34 4.64 -1.86 0.24 113.55 125.10 1tlg h SER 36 Ca -0.25 0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1tlg h SER 36 Cb 1.10 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1tlg h SER 36 CO 0.88 0.09 -0.01 0.74 -0.87 0.00 0.00 176.83 177.66 1tlg h THR 37 N 0.46 1.53 -0.56 2.95 2.02 -1.93 -3.22 112.91 114.16 1tlg h THR 37 Ca 0.48 -1.58 0.04 0.00 0.77 0.00 0.00 66.41 66.12 1tlg h THR 37 Cb 0.79 2.60 -0.05 0.00 -1.74 0.00 0.00 68.15 69.76 1tlg h THR 37 CO -0.45 0.41 0.30 0.24 0.37 0.00 0.00 175.52 176.39 1tlg h MET 38 N -0.66 0.56 -0.67 6.66 2.86 -1.70 -2.67 114.93 119.31 1tlg h MET 38 Ca -0.00 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1tlg h MET 38 Cb 0.68 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 1tlg h MET 38 CO 0.00 0.37 0.41 -0.24 1.06 0.00 0.00 176.91 178.51 1tlg h VAL 39 N 0.58 1.19 -0.52 -2.22 3.04 -0.92 -0.39 116.25 117.00 1tlg h VAL 39 Ca 0.24 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 65.53 1tlg h VAL 39 Cb 0.12 0.24 -0.03 0.00 -2.01 0.00 0.00 31.29 29.62 1tlg h VAL 39 CO -0.15 0.19 0.34 0.50 -1.01 0.00 0.00 177.57 177.44 1tlg h LYS 40 N 0.91 0.70 -0.47 4.17 3.64 -1.50 -0.08 116.57 123.94 1tlg h LYS 40 Ca 0.24 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.51 1tlg h LYS 40 Cb -0.04 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 1tlg h LYS 40 CO -0.05 0.48 0.07 0.00 -2.27 0.00 0.00 179.45 177.68 1tlg h ALA 41 N 1.18 0.63 0.00 5.00 0.00 -1.00 -1.45 119.26 123.62 1tlg h ALA 41 Ca 0.19 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1tlg h ALA 41 Cb -0.06 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1tlg h ALA 41 CO -0.04 0.37 -0.00 0.82 0.00 0.00 0.00 179.25 180.40 1tlg h ILE 42 N 0.66 1.03 0.00 0.00 2.04 -0.66 -2.73 117.51 117.84 1tlg h ILE 42 Ca 0.14 -0.08 -0.05 0.00 1.00 0.00 0.00 64.86 65.87 1tlg h ILE 42 Cb 0.40 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1tlg h ILE 42 CO 0.01 0.02 -0.24 -0.07 0.00 0.00 0.00 178.15 177.87 1tlg h LEU 43 N -0.04 0.00 -0.64 1.44 3.38 -0.99 -2.08 115.31 116.39 1tlg h LEU 43 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1tlg h LEU 43 Cb 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1tlg h LEU 43 CO 0.00 0.24 -0.01 0.00 0.09 0.00 0.00 178.44 178.77 1tlg h ALA 44 N 1.76 0.85 0.14 1.53 0.00 -1.00 0.10 119.26 122.64 1tlg h ALA 44 Ca -0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1tlg h ALA 44 Cb 0.56 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1tlg h ALA 44 CO 0.03 0.67 -0.07 0.35 0.00 0.00 0.00 179.25 180.23 1tlg h PHE 45 N 0.96 -0.18 -0.06 0.00 3.04 -1.17 -2.75 116.94 116.79 1tlg h PHE 45 Ca 0.17 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.07 1tlg h PHE 45 Cb 0.56 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 39.12 1tlg h PHE 45 CO 0.04 0.06 -0.18 1.79 -2.02 0.00 0.00 178.31 178.00 1tlg h THR 46 N -0.40 1.16 -0.27 4.41 1.35 -1.27 -1.84 112.91 116.05 1tlg h THR 46 Ca -0.02 -0.74 0.02 0.00 -0.55 0.00 0.00 66.41 65.13 1tlg h THR 46 Cb 0.32 1.31 -0.02 0.00 -1.73 0.00 0.00 68.15 68.03 1tlg h THR 46 CO 0.03 0.22 0.12 -0.08 -0.25 0.00 0.00 175.52 175.56 1tlg h GLU 47 N 0.09 0.25 -0.06 4.72 4.22 -0.69 0.82 114.58 123.92 1tlg h GLU 47 Ca 0.02 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 1tlg h GLU 47 Cb 0.37 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1tlg h GLU 47 CO 0.02 0.16 0.03 0.28 -2.18 0.00 0.00 179.01 177.33 1tlg h VAL 48 N 0.26 1.10 0.00 0.32 2.07 -1.13 -3.07 116.25 115.80 1tlg h VAL 48 Ca 0.11 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1tlg h VAL 48 Cb 0.05 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1tlg h VAL 48 CO -0.09 0.09 -0.18 0.11 0.02 0.00 0.00 177.57 177.51 1tlg h LYS 49 N -0.01 0.00 -4.46 1.57 1.79 -0.87 -3.47 116.57 111.12 1tlg h LYS 49 Ca 0.02 0.00 -0.40 0.00 -2.18 0.00 0.00 60.65 58.09 1tlg h LYS 49 Cb 0.11 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 30.79 1tlg h LYS 49 CO -0.00 0.18 -0.59 0.41 -1.08 0.00 0.00 179.45 178.38 1tlg n GLY 50 N -0.92 -0.52 3.47 3.86 0.00 0.24 -5.00 105.19 106.31 1tlg n GLY 50 Ca -0.02 0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.11 2.08 0.12 1.61 3.76 -1.26 -4.84 115.29 113.64 1tlg s HIS 51 Ca 0.28 -0.68 -0.29 0.00 -0.15 0.00 0.00 55.06 54.21 1tlg s HIS 51 Cb -0.13 -1.23 -0.06 0.00 1.11 0.00 0.00 32.58 32.27 1tlg s HIS 51 CO 0.34 0.32 0.94 -0.51 -0.85 0.00 0.00 174.74 174.99 1tlg s ASP 52 N -3.50 7.49 0.04 1.40 1.01 -1.26 -4.12 116.67 117.72 1tlg s ASP 52 Ca 0.31 1.78 0.06 0.00 0.71 0.00 0.00 52.55 55.40 1tlg s ASP 52 Cb 0.04 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.37 1tlg s ASP 52 CO 0.14 -0.03 -0.16 -0.31 0.21 0.00 0.00 175.17 175.01 1tlg s TYR 53 N -0.14 1.41 0.57 4.23 1.51 -0.51 -2.51 117.35 121.92 1tlg s TYR 53 Ca 0.45 -0.35 -0.16 0.00 -1.01 0.00 0.00 57.07 56.01 1tlg s TYR 53 Cb -0.23 -0.85 -0.05 0.00 -0.11 0.00 0.00 41.96 40.72 1tlg s TYR 53 CO 0.29 0.05 1.03 -1.58 -1.11 0.00 0.00 175.55 174.23 1tlg s TRP 54 N -0.79 3.17 0.20 2.71 0.23 0.07 0.38 118.94 124.91 1tlg s TRP 54 Ca 0.04 1.49 0.05 0.00 -2.03 0.00 0.00 56.10 55.64 1tlg s TRP 54 Cb -0.08 -2.92 -0.05 0.00 0.03 0.00 0.00 33.47 30.45 1tlg s TRP 54 CO 0.01 -0.84 -0.06 0.14 0.96 0.00 0.00 176.95 177.16 1tlg s VAL 55 N -2.54 1.23 -1.34 4.03 -7.23 -0.77 -3.98 120.40 109.79 1tlg s VAL 55 Ca 0.62 -2.07 -0.09 0.00 -1.81 0.00 0.00 61.98 58.62 1tlg s VAL 55 Cb -0.14 -2.15 0.12 0.00 0.56 0.00 0.00 36.38 34.77 1tlg s VAL 55 CO 0.36 -0.50 2.12 0.61 -0.31 0.00 0.00 175.10 177.38 1tlg n GLY 56 N -0.36 4.78 3.07 2.32 0.00 0.16 -4.60 105.19 110.57 1tlg n GLY 56 Ca -0.07 -1.97 -0.11 0.00 0.00 0.00 0.00 46.02 43.86 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 0.60 -0.32 0.19 4.61 0.00 -1.26 -0.68 121.76 124.89 1tlg s ALA 57 Ca 0.46 0.05 -0.23 0.00 0.00 0.00 0.00 51.96 52.24 1tlg s ALA 57 Cb 0.13 -0.02 0.06 0.00 0.00 0.00 0.00 23.12 23.29 1tlg s ALA 57 CO -0.04 -0.15 0.96 0.16 0.00 0.00 0.00 175.76 176.69 1tlg s ASP 58 N -0.83 -0.11 -0.01 0.00 1.47 -0.85 -1.34 116.67 115.01 1tlg s ASP 58 Ca -0.09 -0.55 0.12 0.00 1.18 0.00 0.00 52.55 53.21 1tlg s ASP 58 Cb -0.05 0.53 0.35 0.00 -0.34 0.00 0.00 42.92 43.40 1tlg s ASP 58 CO 0.01 -1.01 1.29 -0.46 0.68 0.00 0.00 175.17 175.68 1tlg n ASN 59 N -0.76 3.07 -0.25 2.11 6.94 -0.51 -0.73 115.26 125.13 1tlg n ASN 59 Ca -0.05 -2.05 0.19 0.00 -0.02 0.00 0.00 54.58 52.64 1tlg n ASN 59 Cb 0.60 -0.27 0.50 0.00 -2.36 0.00 0.00 39.78 38.25 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 2.21 0.43 0.06 -4.53 3.38 -1.88 0.29 115.31 115.26 1tlg h LEU 60 Ca 0.00 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1tlg h LEU 60 Cb 0.79 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1tlg h LEU 60 CO 0.01 0.17 -0.03 -0.61 0.09 0.00 0.00 178.44 178.07 1tlg h GLN 61 N 0.42 -0.07 -0.01 1.13 4.15 -1.90 -3.39 115.11 115.43 1tlg h GLN 61 Ca 0.48 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.90 1tlg h GLN 61 Cb 1.17 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.87 1tlg h GLN 61 CO -0.19 0.26 -0.40 -0.25 -1.93 0.00 0.00 178.83 176.33 1tlg n ASP 62 N -4.79 1.85 -0.41 -0.69 8.00 -1.22 -5.10 116.55 114.19 1tlg n ASP 62 Ca -0.04 -1.42 0.02 0.00 0.71 0.00 0.00 54.79 54.06 1tlg n ASP 62 Cb 0.18 0.46 -0.01 0.00 -0.02 0.00 0.00 41.12 41.74 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 1.28 -1.80 7.00 0.44 0.00 0.10 -4.81 105.19 107.40 1tlg n GLY 63 Ca 0.08 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.41 0.00 -1.48 4.61 0.00 -1.04 -1.21 120.51 120.98 1tlg n ALA 64 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1tlg n ALA 64 Cb 0.07 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.61 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 2.87 -2.58 0.00 4.01 -1.26 -4.75 117.16 129.45 1tlg n TYR 65 Ca 0.00 -2.54 -0.43 0.00 -0.16 0.00 0.00 57.90 54.77 1tlg n TYR 65 Cb 0.00 -1.04 0.01 0.00 -0.31 0.00 0.00 39.34 38.00 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 -0.93 5.65 -4.73 7.72 3.02 -0.35 -4.72 115.26 120.92 1tlg n ASN 66 Ca 0.55 -3.23 -0.41 0.00 -0.03 0.00 0.00 54.58 51.45 1tlg n ASN 66 Cb 0.91 -1.40 -0.03 0.00 -0.61 0.00 0.00 39.78 38.65 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 -0.89 3.44 -0.05 3.10 0.08 -1.26 -4.55 117.98 117.85 1tlg s PHE 67 Ca 0.36 1.39 0.05 0.00 0.12 0.00 0.00 56.93 58.86 1tlg s PHE 67 Cb 0.08 -3.42 -0.01 0.00 -0.57 0.00 0.00 43.02 39.10 1tlg s PHE 67 CO 0.04 -1.21 -0.21 -0.51 -0.10 0.00 0.00 175.22 173.23 1tlg s LEU 68 N 0.10 2.00 0.65 -0.37 1.43 0.09 -1.49 118.68 121.09 1tlg s LEU 68 Ca 0.54 -0.43 -0.15 0.00 -1.03 0.00 0.00 54.13 53.06 1tlg s LEU 68 Cb -0.32 -1.18 -0.01 0.00 0.03 0.00 0.00 46.19 44.72 1tlg s LEU 68 CO 0.34 0.21 1.10 0.26 0.23 0.00 0.00 176.35 178.50 1tlg s TRP 69 N -0.12 2.68 -0.96 0.29 0.52 0.14 -2.00 118.94 119.49 1tlg s TRP 69 Ca -0.02 1.54 0.11 0.00 0.02 0.00 0.00 56.10 57.75 1tlg s TRP 69 Cb -0.12 -3.14 0.47 0.00 -1.15 0.00 0.00 33.47 29.53 1tlg s TRP 69 CO 0.03 -1.61 1.35 0.27 0.02 0.00 0.00 176.95 177.01 1tlg n ASN 70 N -2.37 0.04 -0.96 2.95 2.04 0.14 -1.20 115.26 115.90 1tlg n ASN 70 Ca 0.10 0.51 0.10 0.00 -0.44 0.00 0.00 54.58 54.85 1tlg n ASN 70 Cb 0.52 -0.52 0.26 0.00 -2.53 0.00 0.00 39.78 37.51 1tlg n ASN 70 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 1tlg n ASP 71 N -1.55 2.81 0.00 0.53 5.75 -1.26 -4.94 116.55 117.89 1tlg n ASP 71 Ca 0.02 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.85 1tlg n ASP 71 Cb 0.12 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 39.91 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 1.35 0.97 3.77 6.12 0.00 -0.34 -5.06 105.19 112.00 1tlg n GLY 72 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.67 4.25 0.49 1.61 1.01 -1.26 -4.81 120.40 119.03 1tlg s VAL 73 Ca 0.00 1.85 -0.22 0.00 0.00 0.00 0.00 61.98 63.61 1tlg s VAL 73 Cb 0.00 -4.21 -0.06 0.00 0.00 0.00 0.00 36.38 32.10 1tlg s VAL 73 CO 0.00 0.51 1.21 -0.55 0.00 0.00 0.00 175.10 176.27 1tlg s SER 74 N -1.17 5.87 -0.68 3.32 0.15 -1.26 -0.68 113.70 119.24 1tlg s SER 74 Ca 0.38 2.42 -0.05 0.00 0.70 0.00 0.00 55.95 59.40 1tlg s SER 74 Cb -0.24 -2.61 0.18 0.00 -1.71 0.00 0.00 66.02 61.63 1tlg s SER 74 CO 0.28 -1.13 0.52 -0.22 1.20 0.00 0.00 173.24 173.90 1tlg s LEU 75 N -3.24 5.53 0.23 3.45 0.20 -0.56 -4.77 118.68 119.51 1tlg s LEU 75 Ca 0.67 -2.90 -0.31 0.00 0.69 0.00 0.00 54.13 52.28 1tlg s LEU 75 Cb -0.31 -1.92 -0.15 0.00 -0.43 0.00 0.00 46.19 43.38 1tlg s LEU 75 CO 0.38 -0.39 1.09 -2.65 -0.29 0.00 0.00 176.35 174.49 1tlg n PRO 76 N 3.47 1.25 0.27 0.98 -0.02 -1.26 -4.35 135.00 135.33 1tlg n PRO 76 Ca 0.10 0.44 0.12 0.00 -2.02 0.00 0.00 63.50 62.14 1tlg n PRO 76 Cb 0.39 -1.88 0.74 0.00 -0.02 0.00 0.00 33.50 32.74 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 2.34 0.67 -0.64 3.45 2.02 -1.95 -1.71 112.91 117.09 1tlg h THR 77 Ca -0.41 -0.37 -0.10 0.00 0.77 0.00 0.00 66.41 66.30 1tlg h THR 77 Cb 1.34 1.23 -0.06 0.00 -1.74 0.00 0.00 68.15 68.92 1tlg h THR 77 CO 0.66 0.09 0.12 -0.90 0.37 0.00 0.00 175.52 175.86 1tlg n ASP 78 N -3.85 5.34 -4.76 4.18 5.75 -1.26 -4.65 116.55 117.30 1tlg n ASP 78 Ca -0.02 -3.07 -0.38 0.00 -0.01 0.00 0.00 54.79 51.31 1tlg n ASP 78 Cb 0.19 -0.71 0.03 0.00 -1.03 0.00 0.00 41.12 39.59 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 -0.92 5.50 0.27 -1.12 0.15 -0.64 -4.90 113.70 112.04 1tlg s SER 79 Ca 0.55 2.63 0.23 0.00 0.70 0.00 0.00 55.95 60.06 1tlg s SER 79 Cb 0.43 -2.63 1.02 0.00 -1.71 0.00 0.00 66.02 63.13 1tlg s SER 79 CO 0.15 -1.40 1.71 0.47 1.20 0.00 0.00 173.24 175.36 1tlg n ASP 80 N -0.91 0.66 0.19 5.45 8.00 -1.26 -2.48 116.55 126.20 1tlg n ASP 80 Ca 0.10 0.68 0.14 0.00 0.71 0.00 0.00 54.79 56.42 1tlg n ASP 80 Cb 0.46 -0.82 0.55 0.00 -0.02 0.00 0.00 41.12 41.30 1tlg n ASP 80 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1tlg h LEU 81 N 0.00 0.00 -9.84 0.64 3.38 -1.95 -3.45 115.31 104.09 1tlg h LEU 81 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 1tlg h LEU 81 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1tlg h LEU 81 CO 0.00 0.00 0.41 0.26 0.09 0.00 0.00 178.44 179.20 1tlg s TRP 82 N -3.44 3.63 0.90 1.13 0.52 -1.04 -0.42 118.94 120.23 1tlg s TRP 82 Ca 0.03 1.76 -0.10 0.00 0.02 0.00 0.00 56.10 57.81 1tlg s TRP 82 Cb 0.09 -3.12 0.14 0.00 -1.15 0.00 0.00 33.47 29.43 1tlg s TRP 82 CO 0.48 -0.20 1.12 -1.12 0.02 0.00 0.00 176.95 177.25 1tlg s SER 83 N -1.21 3.15 0.12 2.95 0.01 0.41 -4.71 113.70 114.42 1tlg s SER 83 Ca 0.47 2.00 -0.35 0.00 1.31 0.00 0.00 55.95 59.38 1tlg s SER 83 Cb -0.26 -2.51 -0.15 0.00 0.21 0.00 0.00 66.02 63.31 1tlg s SER 83 CO 0.33 -2.93 1.50 -2.65 0.41 0.00 0.00 173.24 169.91 1tlg n PRO 84 N -4.11 1.79 -1.98 12.44 -0.02 -1.26 -1.91 135.00 139.94 1tlg n PRO 84 Ca 0.10 0.65 -0.16 0.00 -2.02 0.00 0.00 63.50 62.07 1tlg n PRO 84 Cb 0.53 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 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 3.21 -4.76 -4.26 2.55 3.02 -1.26 -5.01 115.26 108.75 1tlg n ASN 85 Ca 0.18 0.13 -0.21 0.00 -0.03 0.00 0.00 54.58 54.65 1tlg n ASN 85 Cb 0.25 -3.79 -0.12 0.00 -0.61 0.00 0.00 39.78 35.51 1tlg n ASN 85 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1tlg s GLU 86 N -4.24 1.06 0.40 3.52 0.41 -0.80 -4.06 118.70 114.99 1tlg s GLU 86 Ca 0.00 -1.18 -0.23 0.00 -0.41 0.00 0.00 54.97 53.15 1tlg s GLU 86 Cb 0.00 -1.15 -0.09 0.00 -1.78 0.00 0.00 34.13 31.11 1tlg s GLU 86 CO 0.00 0.25 1.02 -1.25 -0.49 0.00 0.00 175.26 174.79 1tlg s PRO 87 N -2.20 4.20 0.00 0.39 0.04 -1.26 -4.62 135.00 131.55 1tlg s PRO 87 Ca 0.07 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.51 1tlg s PRO 87 Cb -0.08 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.99 1tlg s PRO 87 CO 0.04 -0.09 0.06 -1.13 0.04 0.00 0.00 177.00 175.91 1tlg n SER 88 N -0.17 0.12 -4.77 6.66 3.41 -1.26 -5.04 113.62 112.56 1tlg n SER 88 Ca 0.05 -0.88 -0.30 0.00 -0.26 0.00 0.00 58.87 57.49 1tlg n SER 88 Cb 0.51 0.02 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 -0.02 4.36 0.15 4.04 -0.87 -1.26 -4.92 114.94 116.42 1tlg s ASN 89 Ca 0.00 1.52 -0.33 0.00 -1.57 0.00 0.00 52.86 52.48 1tlg s ASN 89 Cb 0.00 -2.26 -0.12 0.00 -0.02 0.00 0.00 41.25 38.85 1tlg s ASN 89 CO 0.00 -2.08 1.72 -2.65 -2.57 0.00 0.00 177.10 171.52 1tlg n PRO 90 N -3.53 2.54 0.33 -0.60 -0.02 -1.26 -4.85 135.00 127.60 1tlg n PRO 90 Ca 0.08 0.92 0.21 0.00 -2.02 0.00 0.00 63.50 62.68 1tlg n PRO 90 Cb 0.55 -2.75 1.13 0.00 -0.02 0.00 0.00 33.50 32.40 1tlg n PRO 90 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1tlg h GLN 91 N 7.20 0.00 -0.01 -0.52 4.20 -1.91 -1.57 115.11 122.50 1tlg h GLN 91 Ca -0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.26 1tlg h GLN 91 Cb 1.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.01 1tlg h GLN 91 CO 0.93 0.00 0.00 -1.13 -0.67 0.00 0.00 178.83 177.96 1tlg n SER 92 N -3.29 0.57 -4.91 1.46 3.41 -1.26 -2.48 113.62 107.11 1tlg n SER 92 Ca -0.03 -1.23 -0.27 0.00 -0.26 0.00 0.00 58.87 57.08 1tlg n SER 92 Cb 0.08 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 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 -1.99 3.51 -0.23 7.33 0.52 -0.59 -5.00 118.94 122.48 1tlg s TRP 93 Ca 0.43 0.76 -0.27 0.00 0.02 0.00 0.00 56.10 57.04 1tlg s TRP 93 Cb 0.21 -2.36 0.00 0.00 -1.15 0.00 0.00 33.47 30.17 1tlg s TRP 93 CO 0.34 -0.36 0.93 -0.65 0.02 0.00 0.00 176.95 177.23 1tlg s GLN 94 N -4.77 4.23 -0.07 4.98 -0.21 -1.26 -4.67 119.66 117.89 1tlg s GLN 94 Ca 0.48 1.14 0.05 0.00 0.02 0.00 0.00 55.36 57.05 1tlg s GLN 94 Cb -0.10 -3.63 -0.00 0.00 1.00 0.00 0.00 33.01 30.27 1tlg s GLN 94 CO 0.45 -0.54 -0.22 -0.51 -2.12 0.00 0.00 175.29 172.34 1tlg s LEU 95 N 2.91 2.01 0.18 2.90 1.43 -1.26 -4.33 118.68 122.53 1tlg s LEU 95 Ca 0.39 -0.48 0.09 0.00 -1.03 0.00 0.00 54.13 53.10 1tlg s LEU 95 Cb -0.15 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 1tlg s LEU 95 CO 0.07 0.18 -0.12 0.00 0.23 0.00 0.00 176.35 176.71 1tlg s VAL 97 N -1.70 4.46 0.28 0.00 1.01 -0.45 -1.05 120.40 122.94 1tlg s VAL 97 Ca 0.24 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.08 1tlg s VAL 97 Cb -0.09 -2.92 -0.06 0.00 0.00 0.00 0.00 36.38 33.32 1tlg s VAL 97 CO 0.14 0.56 0.02 0.00 0.00 0.00 0.00 175.10 175.82 1tlg s GLN 98 N -0.47 1.49 -0.51 2.72 -2.07 -0.57 -1.86 119.66 118.40 1tlg s GLN 98 Ca 0.09 -1.79 -0.19 0.00 -1.82 0.00 0.00 55.36 51.65 1tlg s GLN 98 Cb -0.12 -0.78 0.07 0.00 -1.09 0.00 0.00 33.01 31.09 1tlg s GLN 98 CO 0.02 -0.12 0.61 0.42 -1.32 0.00 0.00 175.29 174.90 1tlg s ILE 99 N -3.33 4.92 -0.16 3.63 1.01 0.16 -0.79 121.20 126.63 1tlg s ILE 99 Ca 0.32 -0.64 -0.27 0.00 0.00 0.00 0.00 60.65 60.06 1tlg s ILE 99 Cb 0.07 -4.30 -0.01 0.00 0.01 0.00 0.00 42.46 38.22 1tlg s ILE 99 CO 0.12 -0.82 0.92 0.86 0.00 0.00 0.00 174.94 176.02 1tlg s TRP 100 N 2.50 3.44 0.58 3.97 -0.00 -0.04 -1.42 118.94 127.97 1tlg s TRP 100 Ca 0.13 1.40 0.27 0.00 -0.00 0.00 0.00 56.10 57.90 1tlg s TRP 100 Cb -0.21 -3.11 1.68 0.00 -0.00 0.00 0.00 33.47 31.83 1tlg s TRP 100 CO 0.10 -0.28 2.19 0.66 -0.00 0.00 0.00 176.95 179.63 1tlg h SER 101 N 7.28 0.00 -0.83 5.86 4.64 -1.88 0.67 113.55 129.30 1tlg h SER 101 Ca -0.28 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.09 1tlg h SER 101 Cb 1.12 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.16 1tlg h SER 101 CO 0.87 0.00 0.54 0.50 -0.87 0.00 0.00 176.83 177.87 1tlg h LYS 102 N 0.00 0.93 0.00 4.77 3.64 -1.93 -3.27 116.57 120.72 1tlg h LYS 102 Ca 0.03 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1tlg h LYS 102 Cb 0.17 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1tlg h LYS 102 CO -0.00 0.62 0.00 0.66 -2.27 0.00 0.00 179.45 178.46 1tlg n TYR 103 N -4.47 0.00 -3.91 1.91 4.01 -0.77 -5.01 117.16 108.93 1tlg n TYR 103 Ca 0.12 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.57 1tlg n TYR 103 Cb 0.17 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.22 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 -0.33 -3.97 -3.85 7.72 5.15 0.23 -4.96 115.26 115.26 1tlg n ASN 104 Ca 0.00 -0.81 -0.13 0.00 -0.60 0.00 0.00 54.58 53.04 1tlg n ASN 104 Cb 0.03 -3.80 -0.07 0.00 -0.53 0.00 0.00 39.78 35.41 1tlg n ASN 104 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1tlg s LEU 105 N -7.18 0.97 0.46 1.20 1.43 -1.21 -4.91 118.68 109.44 1tlg s LEU 105 Ca 0.54 -1.33 -0.23 0.00 -1.03 0.00 0.00 54.13 52.08 1tlg s LEU 105 Cb -0.27 1.00 -0.07 0.00 0.03 0.00 0.00 46.19 46.88 1tlg s LEU 105 CO 0.84 -1.04 1.22 -0.76 0.23 0.00 0.00 176.35 176.84 1tlg s LEU 106 N -3.16 4.04 -0.16 1.79 1.43 0.45 -0.86 118.68 122.19 1tlg s LEU 106 Ca 0.33 2.45 -0.19 0.00 -1.03 0.00 0.00 54.13 55.69 1tlg s LEU 106 Cb 0.03 -4.17 0.05 0.00 0.03 0.00 0.00 46.19 42.13 1tlg s LEU 106 CO 0.15 -1.00 0.52 -0.62 0.23 0.00 0.00 176.35 175.63 1tlg s ASP 107 N -1.16 -0.52 -0.07 2.29 2.15 0.03 -0.45 116.67 118.94 1tlg s ASP 107 Ca 0.63 0.92 -0.20 0.00 0.43 0.00 0.00 52.55 54.34 1tlg s ASP 107 Cb -0.32 0.94 -0.04 0.00 -0.30 0.00 0.00 42.92 43.19 1tlg s ASP 107 CO 0.40 -0.25 0.56 1.51 -0.17 0.00 0.00 175.17 177.21 1tlg s ASP 108 N -0.02 6.84 0.25 -0.34 -4.77 -1.26 -1.51 116.67 115.85 1tlg s ASP 108 Ca -0.02 1.00 0.02 0.00 -3.30 0.00 0.00 52.55 50.24 1tlg s ASP 108 Cb -0.03 -2.33 -0.04 0.00 -1.09 0.00 0.00 42.92 39.43 1tlg s ASP 108 CO 0.02 0.02 0.19 0.68 0.70 0.00 0.00 175.17 176.78 1tlg s VAL 109 N 0.35 0.00 0.77 2.11 -7.23 -0.22 -4.72 120.40 111.46 1tlg s VAL 109 Ca 0.30 -1.98 -0.11 0.00 -1.81 0.00 0.00 61.98 58.37 1tlg s VAL 109 Cb -0.17 -2.50 0.06 0.00 0.56 0.00 0.00 36.38 34.33 1tlg s VAL 109 CO 0.14 0.00 1.08 -0.83 -0.31 0.00 0.00 175.10 175.18 1tlg s GLY 110 N -3.23 1.65 0.00 2.32 0.00 -1.26 -0.62 107.32 106.18 1tlg s GLY 110 Ca 0.39 0.05 0.28 0.00 0.00 0.00 0.00 44.72 45.44 1tlg s GLY 110 CO 0.17 0.43 1.75 0.00 0.00 0.00 0.00 173.10 175.45 1tlg h GLY 112 N 4.86 0.00 -2.23 0.00 0.00 -1.96 -2.63 103.07 101.11 1tlg h GLY 112 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 1tlg h GLY 112 CO 0.00 0.00 0.44 -0.32 0.00 0.00 0.00 176.54 176.66 1tlg s GLY 113 N -4.70 2.65 0.04 4.60 0.00 -1.26 -4.64 107.32 104.01 1tlg s GLY 113 Ca 0.01 0.82 -0.27 0.00 0.00 0.00 0.00 44.72 45.28 1tlg s GLY 113 CO 0.80 1.19 0.85 0.00 0.00 0.00 0.00 173.10 175.94 1tlg s ALA 114 N -1.75 3.29 0.14 3.20 0.00 -1.26 -4.07 121.76 121.32 1tlg s ALA 114 Ca 0.70 0.39 -0.07 0.00 0.00 0.00 0.00 51.96 52.98 1tlg s ALA 114 Cb -0.24 -3.13 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 1tlg s ALA 114 CO 0.28 -0.04 0.21 1.03 0.00 0.00 0.00 175.76 177.24 1tlg s ARG 115 N 0.28 1.04 0.96 0.00 0.52 -0.18 -4.70 118.95 116.88 1tlg s ARG 115 Ca 0.43 -1.21 -0.12 0.00 -0.52 0.00 0.00 55.73 54.31 1tlg s ARG 115 Cb -0.21 0.34 0.16 0.00 0.52 0.00 0.00 34.95 35.76 1tlg s ARG 115 CO 0.25 -0.35 1.10 1.03 0.02 0.00 0.00 175.30 177.34 1tlg s ARG 116 N -3.97 0.78 0.02 3.54 0.52 -1.04 -1.30 118.95 117.49 1tlg s ARG 116 Ca 0.17 0.59 0.07 0.00 -0.52 0.00 0.00 55.73 56.03 1tlg s ARG 116 Cb 0.05 -1.77 -0.02 0.00 0.52 0.00 0.00 34.95 33.72 1tlg s ARG 116 CO -0.01 -2.51 -0.20 0.08 0.02 0.00 0.00 175.30 172.68 1tlg s VAL 117 N -2.99 1.59 -0.14 3.52 1.01 -1.06 -0.76 120.40 121.57 1tlg s VAL 117 Ca 0.64 -1.06 -0.00 0.00 0.00 0.00 0.00 61.98 61.56 1tlg s VAL 117 Cb -0.18 -1.37 0.03 0.00 0.00 0.00 0.00 36.38 34.86 1tlg s VAL 117 CO 0.57 0.27 -0.10 -0.63 0.00 0.00 0.00 175.10 175.21 1tlg s ILE 118 N -0.69 1.28 0.19 2.22 1.01 -1.26 -0.78 121.20 123.18 1tlg s ILE 118 Ca 0.07 -0.52 0.07 0.00 0.00 0.00 0.00 60.65 60.27 1tlg s ILE 118 Cb -0.08 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 1tlg s ILE 118 CO 0.01 0.35 0.06 0.00 0.00 0.00 0.00 174.94 175.36 1tlg s GLU 120 N -3.18 1.04 -0.24 0.00 -1.05 0.14 -0.78 118.70 114.62 1tlg s GLU 120 Ca 0.29 -1.47 -0.03 0.00 -0.15 0.00 0.00 54.97 53.61 1tlg s GLU 120 Cb -0.09 -0.39 0.13 0.00 -0.44 0.00 0.00 34.13 33.35 1tlg s GLU 120 CO 0.21 -0.03 0.41 0.21 0.95 0.00 0.00 175.26 177.01 1tlg s LYS 121 N -3.84 0.37 0.10 -4.83 2.20 -0.46 -1.27 119.74 112.01 1tlg s LYS 121 Ca 0.19 0.69 -0.31 0.00 -0.36 0.00 0.00 55.97 56.18 1tlg s LYS 121 Cb 0.05 -0.20 -0.09 0.00 -1.51 0.00 0.00 37.83 36.08 1tlg s LYS 121 CO 0.01 -0.56 1.72 -2.00 -0.36 0.00 0.00 175.35 174.15 1tlg s GLU 122 N 2.60 4.17 0.00 4.03 2.12 -1.26 -1.06 118.70 129.30 1tlg s GLU 122 Ca 0.11 2.44 0.00 0.00 0.36 0.00 0.00 54.97 57.87 1tlg s GLU 122 Cb -0.15 -3.57 0.00 0.00 0.26 0.00 0.00 34.13 30.68 1tlg s GLU 122 CO -0.16 -0.77 0.00 1.28 -0.54 0.00 0.00 175.26 175.07 1tlg n LEU 123 N 5.52 0.00 0.00 2.70 4.77 0.14 -4.91 117.00 125.22 1tlg n LEU 123 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1tlg n LEU 123 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1tlg n LEU 123 CO 0.64 0.00 0.00 -0.90 -1.33 0.00 0.00 177.39 175.80