#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mgd s TYR 4 N 0.00 2.42 0.02 -2.53 1.51 -1.26 -0.43 117.35 117.09 3mgd s TYR 4 Ca 0.00 -0.36 -0.25 0.00 -1.01 0.00 0.00 57.07 55.45 3mgd s TYR 4 Cb 0.00 -1.51 0.06 0.00 -0.11 0.00 0.00 41.96 40.40 3mgd s TYR 4 CO 0.00 0.06 0.56 -0.98 -1.11 0.00 0.00 175.55 174.08 3mgd s ARG 5 N -0.80 1.04 0.13 -0.62 1.70 -0.51 -4.97 118.95 114.91 3mgd s ARG 5 Ca 0.11 -0.10 -0.30 0.00 -0.47 0.00 0.00 55.73 54.97 3mgd s ARG 5 Cb -0.10 0.48 -0.06 0.00 -0.57 0.00 0.00 34.95 34.69 3mgd s ARG 5 CO 0.00 -0.36 1.00 0.15 -1.08 0.00 0.00 175.30 175.01 3mgd s LYS 6 N -2.10 4.68 0.31 3.89 1.02 -1.26 -0.18 119.74 126.10 3mgd s LYS 6 Ca -0.07 1.52 -0.29 0.00 0.02 0.00 0.00 55.97 57.15 3mgd s LYS 6 Cb -0.01 -3.35 -0.10 0.00 -0.52 0.00 0.00 37.83 33.85 3mgd s LYS 6 CO 0.01 0.19 1.38 0.00 -0.92 0.00 0.00 175.35 176.02 3mgd s ALA 7 N -0.10 3.56 0.00 5.17 0.00 0.04 -4.93 121.76 125.50 3mgd s ALA 7 Ca 0.47 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.77 3mgd s ALA 7 Cb -0.25 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.34 3mgd s ALA 7 CO 0.31 -0.74 0.00 -0.25 0.00 0.00 0.00 175.76 175.08 3mgd n ASP 8 N 1.28 0.00 0.00 0.00 8.00 -1.26 -4.81 116.55 119.76 3mgd n ASP 8 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.52 3mgd n ASP 8 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 3mgd n ASP 8 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3mgd n LYS 10 N 0.00 0.00 0.00 -1.24 4.81 -1.26 -3.94 118.16 116.53 3mgd n LYS 10 Ca 0.00 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.58 3mgd n LYS 10 Cb 0.00 0.00 0.47 0.00 0.02 0.00 0.00 35.03 35.52 3mgd n LYS 10 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3mgd n ASP 11 N 0.00 1.65 -0.25 3.14 8.00 -1.26 -4.42 116.55 123.41 3mgd n ASP 11 Ca 0.00 -1.53 -0.02 0.00 0.71 0.00 0.00 54.79 53.95 3mgd n ASP 11 Cb 0.00 0.01 0.09 0.00 -0.02 0.00 0.00 41.12 41.20 3mgd n ASP 11 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3mgd h ILE 12 N 2.57 1.06 -0.69 0.53 2.04 -2.00 -1.13 117.51 119.88 3mgd h ILE 12 Ca 0.00 -0.28 0.09 0.00 1.00 0.00 0.00 64.86 65.67 3mgd h ILE 12 Cb 0.56 0.16 -0.07 0.00 -0.74 0.00 0.00 36.82 36.73 3mgd h ILE 12 CO 0.00 0.15 0.34 -1.28 0.00 0.00 0.00 178.15 177.36 3mgd h SER 13 N 0.82 0.44 0.02 1.72 0.87 -1.96 0.55 113.55 116.01 3mgd h SER 13 Ca 0.29 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 3mgd h SER 13 Cb 0.08 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 3mgd h SER 13 CO -0.13 0.25 -0.03 0.25 -0.53 0.00 0.00 176.83 176.63 3mgd h LEU 14 N 0.58 -0.09 -1.09 2.23 6.46 -1.65 -2.43 115.31 119.32 3mgd h LEU 14 Ca 0.34 0.01 0.01 0.00 -0.12 0.00 0.00 57.88 58.13 3mgd h LEU 14 Cb 0.36 0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.28 3mgd h LEU 14 CO -0.27 -0.05 0.61 -0.07 -0.62 0.00 0.00 178.44 178.04 3mgd h LEU 15 N -0.07 1.06 -0.24 2.25 4.07 -0.32 -0.56 115.31 121.49 3mgd h LEU 15 Ca 0.01 -0.03 -0.02 0.00 0.08 0.00 0.00 57.88 57.92 3mgd h LEU 15 Cb 0.08 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.55 3mgd h LEU 15 CO -0.02 0.76 0.08 0.58 -1.08 0.00 0.00 178.44 178.76 3mgd h VAL 16 N 1.25 1.19 -0.41 1.22 2.07 -0.79 -1.77 116.25 119.02 3mgd h VAL 16 Ca 0.34 -0.61 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 3mgd h VAL 16 Cb -0.13 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3mgd h VAL 16 CO -0.08 0.20 -0.06 0.28 0.02 0.00 0.00 177.57 177.93 3mgd h SER 17 N 0.23 0.76 -0.40 0.57 0.02 -1.03 -2.85 113.55 110.85 3mgd h SER 17 Ca 0.08 -0.34 -0.09 0.00 -0.84 0.00 0.00 61.79 60.60 3mgd h SER 17 Cb 0.23 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 3mgd h SER 17 CO -0.00 0.92 -0.07 0.40 -1.14 0.00 0.00 176.83 176.94 3mgd h ILE 18 N 0.58 1.26 -0.79 3.27 1.08 -1.12 -2.17 117.51 119.61 3mgd h ILE 18 Ca 0.11 -1.13 0.03 0.00 -0.39 0.00 0.00 64.86 63.47 3mgd h ILE 18 Cb 0.57 0.96 -0.05 0.00 -3.07 0.00 0.00 36.82 35.24 3mgd h ILE 18 CO 0.03 0.39 0.51 -0.09 -0.69 0.00 0.00 178.15 178.31 3mgd h ARG 19 N 0.76 0.98 -0.66 2.37 2.43 -1.24 0.20 114.38 119.22 3mgd h ARG 19 Ca 0.13 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 3mgd h ARG 19 Cb 0.56 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 3mgd h ARG 19 CO 0.03 0.65 0.23 0.87 -1.51 0.00 0.00 179.97 180.24 3mgd h LYS 20 N 1.01 1.01 -0.67 0.20 1.57 -1.24 -0.42 116.57 118.03 3mgd h LYS 20 Ca 0.31 -0.21 0.04 0.00 -1.87 0.00 0.00 60.65 58.92 3mgd h LYS 20 Cb -0.02 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.09 3mgd h LYS 20 CO -0.10 0.87 0.41 -0.09 -0.57 0.00 0.00 179.45 179.97 3mgd h ARG 21 N 0.95 0.76 0.21 3.15 9.65 -0.95 -1.47 114.38 126.68 3mgd h ARG 21 Ca 0.21 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 59.05 3mgd h ARG 21 Cb 0.27 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.66 3mgd h ARG 21 CO -0.01 0.50 -0.17 0.37 2.80 0.00 0.00 179.97 183.46 3mgd h GLN 22 N 0.78 -0.38 -0.49 0.20 4.15 0.17 -0.77 115.11 118.77 3mgd h GLN 22 Ca 0.28 0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.72 3mgd h GLN 22 Cb 0.06 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 3mgd h GLN 22 CO -0.12 -0.26 0.28 -0.07 -1.93 0.00 0.00 178.83 176.73 3mgd h LEU 23 N -0.40 0.61 -0.64 -2.39 3.38 -0.90 -1.04 115.31 113.93 3mgd h LEU 23 Ca -0.01 -0.08 0.10 0.00 0.09 0.00 0.00 57.88 57.98 3mgd h LEU 23 Cb 0.36 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 3mgd h LEU 23 CO -0.02 0.51 0.26 0.40 0.09 0.00 0.00 178.44 179.68 3mgd h ILE 24 N 0.66 0.78 0.00 1.22 2.04 -1.14 0.16 117.51 121.23 3mgd h ILE 24 Ca 0.18 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 3mgd h ILE 24 Cb 0.02 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 36.39 3mgd h ILE 24 CO -0.03 0.08 -0.01 0.44 0.00 0.00 0.00 178.15 178.63 3mgd h ASP 25 N 0.46 0.00 0.41 1.72 5.19 0.12 0.53 116.42 124.85 3mgd h ASP 25 Ca 0.32 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.73 3mgd h ASP 25 Cb 0.39 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.90 3mgd h ASP 25 CO -0.30 0.01 -0.04 -0.62 -3.12 0.00 0.00 179.24 175.17 3mgd n GLU 26 N -3.24 0.61 -0.33 3.56 1.02 0.02 -4.88 120.64 117.41 3mgd n GLU 26 Ca -0.02 -0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 3mgd n GLU 26 Cb 0.12 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 3mgd n GLU 26 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mgd n GLY 27 N 1.24 0.80 3.80 0.62 0.00 0.18 -4.87 105.19 106.96 3mgd n GLY 27 Ca 0.16 -0.30 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 3mgd n GLY 27 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mgd s ILE 28 N -2.00 5.18 -0.04 -0.61 1.01 -1.08 -5.04 121.20 118.62 3mgd s ILE 28 Ca 0.00 0.70 -0.28 0.00 0.00 0.00 0.00 60.65 61.07 3mgd s ILE 28 Cb 0.00 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 3mgd s ILE 28 CO 0.00 0.51 0.92 -1.61 0.00 0.00 0.00 174.94 174.76 3mgd s GLU 29 N -0.49 4.49 -1.40 2.79 2.02 -1.26 -4.15 118.70 120.71 3mgd s GLU 29 Ca 0.21 1.28 -0.13 0.00 0.02 0.00 0.00 54.97 56.35 3mgd s GLU 29 Cb -0.15 -3.48 0.08 0.00 0.10 0.00 0.00 34.13 30.68 3mgd s GLU 29 CO 0.10 -0.09 2.08 -2.30 0.02 0.00 0.00 175.26 175.06 3mgd n PRO 30 N 4.16 3.08 -1.02 0.39 -0.02 -1.26 -4.83 135.00 135.50 3mgd n PRO 30 Ca 0.05 -2.91 -0.12 0.00 -2.02 0.00 0.00 63.50 58.49 3mgd n PRO 30 Cb 0.51 -3.22 0.22 0.00 -0.02 0.00 0.00 33.50 30.99 3mgd n PRO 30 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3mgd n ASN 31 N 5.76 3.73 -3.57 2.55 3.02 -1.26 -4.92 115.26 120.57 3mgd n ASN 31 Ca 0.48 -3.52 -0.17 0.00 -0.03 0.00 0.00 54.58 51.35 3mgd n ASN 31 Cb 0.39 -0.75 -0.07 0.00 -0.61 0.00 0.00 39.78 38.75 3mgd n ASN 31 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3mgd s ILE 32 N -3.18 0.01 -0.67 2.41 -4.36 -1.26 -5.09 121.20 109.06 3mgd s ILE 32 Ca 0.53 -0.05 -0.27 0.00 -0.26 0.00 0.00 60.65 60.60 3mgd s ILE 32 Cb 0.44 -0.94 0.00 0.00 1.25 0.00 0.00 42.46 43.21 3mgd s ILE 32 CO 0.09 -0.03 1.59 -0.62 0.24 0.00 0.00 174.94 176.21 3mgd s ASP 33 N -0.91 5.69 0.00 4.36 2.15 -1.26 -4.73 116.67 121.97 3mgd s ASP 33 Ca -0.09 -0.01 0.23 0.00 0.43 0.00 0.00 52.55 53.10 3mgd s ASP 33 Cb -0.01 -2.54 0.55 0.00 -0.30 0.00 0.00 42.92 40.61 3mgd s ASP 33 CO 0.08 -2.12 1.46 2.30 -0.17 0.00 0.00 175.17 176.71 3mgd n ILE 34 N 6.83 0.30 -0.30 4.11 -5.35 -1.26 -4.45 119.36 119.26 3mgd n ILE 34 Ca 0.12 -0.54 0.03 0.00 -0.27 0.00 0.00 62.75 62.09 3mgd n ILE 34 Cb 0.51 0.80 0.16 0.00 -1.74 0.00 0.00 39.64 39.37 3mgd n ILE 34 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 3mgd h ASP 35 N 3.56 0.70 -0.13 7.28 5.19 -1.98 0.31 116.42 131.36 3mgd h ASP 35 Ca 0.00 0.04 -0.22 0.00 -0.62 0.00 0.00 57.03 56.23 3mgd h ASP 35 Cb 0.78 -0.09 0.01 0.00 0.18 0.00 0.00 39.33 40.21 3mgd h ASP 35 CO 0.00 0.41 -0.79 0.50 -3.12 0.00 0.00 179.24 176.24 3mgd h LYS 36 N 0.82 0.77 -0.14 3.56 3.64 -2.00 -2.46 116.57 120.77 3mgd h LYS 36 Ca 0.40 -0.65 -0.03 0.00 -1.27 0.00 0.00 60.65 59.10 3mgd h LYS 36 Cb 0.34 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3mgd h LYS 36 CO -0.24 1.25 -0.02 0.93 -2.27 0.00 0.00 179.45 179.11 3mgd h GLU 37 N 0.50 0.26 -0.98 1.90 3.07 -1.70 -2.23 114.58 115.39 3mgd h GLU 37 Ca -0.06 -0.09 0.09 0.00 -0.50 0.00 0.00 59.36 58.80 3mgd h GLU 37 Cb 1.43 -0.02 -0.07 0.00 -0.84 0.00 0.00 28.75 29.24 3mgd h GLU 37 CO 0.16 0.52 0.62 -0.07 -1.40 0.00 0.00 179.01 178.84 3mgd h LEU 38 N -0.03 0.95 -0.20 1.33 3.38 -0.46 -0.27 115.31 120.01 3mgd h LEU 38 Ca 0.04 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3mgd h LEU 38 Cb 0.42 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3mgd h LEU 38 CO 0.01 0.56 -0.02 0.74 0.09 0.00 0.00 178.44 179.82 3mgd h THR 39 N 1.06 1.27 -0.16 0.22 2.02 -1.33 -1.60 112.91 114.39 3mgd h THR 39 Ca 0.45 -0.94 0.04 0.00 0.77 0.00 0.00 66.41 66.73 3mgd h THR 39 Cb 0.31 1.48 -0.04 0.00 -1.74 0.00 0.00 68.15 68.16 3mgd h THR 39 CO -0.22 0.29 -0.11 -0.09 0.37 0.00 0.00 175.52 175.76 3mgd h ARG 40 N 0.12 -0.11 -0.24 6.66 2.43 -1.00 -2.39 114.38 119.85 3mgd h ARG 40 Ca 0.06 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.29 3mgd h ARG 40 Cb 0.44 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.94 3mgd h ARG 40 CO 0.01 -0.07 -0.33 -0.92 -1.51 0.00 0.00 179.97 177.15 3mgd h TYR 41 N -0.11 -0.93 -0.07 2.20 3.20 -0.80 -0.24 116.97 120.22 3mgd h TYR 41 Ca 0.10 0.05 0.01 0.00 3.14 0.00 0.00 58.73 62.02 3mgd h TYR 41 Cb 0.26 0.44 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 3mgd h TYR 41 CO -0.25 -0.40 0.02 0.74 -1.64 0.00 0.00 178.16 176.64 3mgd h PHE 42 N -0.35 0.05 -0.29 -3.82 0.04 -1.28 0.06 116.94 111.36 3mgd h PHE 42 Ca 0.12 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.93 3mgd h PHE 42 Cb 0.55 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.65 3mgd h PHE 42 CO -0.47 0.03 0.07 -0.91 -0.60 0.00 0.00 178.31 176.43 3mgd h ASN 43 N 0.06 0.05 0.47 2.17 2.35 -1.23 0.00 115.58 119.45 3mgd h ASN 43 Ca 0.03 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 3mgd h ASN 43 Cb 0.01 0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3mgd h ASN 43 CO -0.03 0.06 -0.36 0.78 -1.65 0.00 0.00 177.43 176.23 3mgd h ASN 44 N 0.19 -0.95 -0.27 5.81 2.35 -0.86 -2.44 115.58 119.40 3mgd h ASN 44 Ca 0.13 0.07 -0.18 0.00 -0.55 0.00 0.00 56.30 55.78 3mgd h ASN 44 Cb 0.12 0.30 0.00 0.00 0.05 0.00 0.00 38.32 38.80 3mgd h ASN 44 CO -0.16 -0.54 -0.51 0.11 -1.65 0.00 0.00 177.43 174.68 3mgd h LYS 45 N -0.82 0.83 -0.35 0.81 1.79 -0.86 -2.48 116.57 115.48 3mgd h LYS 45 Ca -0.05 -0.53 -0.03 0.00 -2.18 0.00 0.00 60.65 57.87 3mgd h LYS 45 Cb 0.70 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.40 3mgd h LYS 45 CO 0.00 1.16 0.12 -0.07 -1.08 0.00 0.00 179.45 179.58 3mgd h LEU 46 N 0.60 0.51 -1.26 2.94 3.38 -1.09 0.15 115.31 120.54 3mgd h LEU 46 Ca 0.01 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 3mgd h LEU 46 Cb 1.12 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 3mgd h LEU 46 CO 0.12 0.56 0.23 0.00 0.09 0.00 0.00 178.44 179.44 3mgd h ALA 47 N 0.96 1.42 -0.47 1.53 0.00 -1.38 -2.17 119.26 119.15 3mgd h ALA 47 Ca 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3mgd h ALA 47 Cb 0.23 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3mgd h ALA 47 CO -0.01 0.45 0.00 0.09 0.00 0.00 0.00 179.25 179.78 3mgd n ASN 48 N -4.36 3.29 -2.94 0.00 3.02 -0.94 -4.94 115.26 108.39 3mgd n ASN 48 Ca 0.04 -1.97 -0.21 0.00 -0.03 0.00 0.00 54.58 52.41 3mgd n ASN 48 Cb 0.14 -0.31 0.04 0.00 -0.61 0.00 0.00 39.78 39.05 3mgd n ASN 48 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3mgd n ASN 49 N 1.34 -5.94 -0.97 6.41 5.15 -0.68 -4.87 115.26 115.70 3mgd n ASN 49 Ca 0.20 -0.31 0.12 0.00 -0.60 0.00 0.00 54.58 53.99 3mgd n ASN 49 Cb 0.56 -4.73 0.12 0.00 -0.53 0.00 0.00 39.78 35.20 3mgd n ASN 49 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3mgd n LEU 50 N -3.97 3.02 -3.78 1.20 7.99 0.44 -4.91 117.00 116.99 3mgd n LEU 50 Ca -0.09 -1.04 -0.13 0.00 -0.01 0.00 0.00 56.01 54.74 3mgd n LEU 50 Cb 0.61 -0.03 -0.12 0.00 -0.11 0.00 0.00 43.42 43.77 3mgd n LEU 50 CO 0.47 0.52 -0.11 -0.22 -1.51 0.00 0.00 177.39 176.55 3mgd s LEU 51 N -1.94 1.02 -0.11 2.23 2.96 -1.11 -1.12 118.68 120.61 3mgd s LEU 51 Ca 0.29 0.48 0.02 0.00 -0.22 0.00 0.00 54.13 54.70 3mgd s LEU 51 Cb 0.20 0.80 0.01 0.00 0.50 0.00 0.00 46.19 47.71 3mgd s LEU 51 CO 0.30 -0.09 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.39 3mgd s VAL 52 N 0.25 1.56 -0.23 1.68 1.01 -0.24 -4.53 120.40 119.90 3mgd s VAL 52 Ca -0.01 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.30 3mgd s VAL 52 Cb -0.03 -1.42 0.05 0.00 0.00 0.00 0.00 36.38 34.99 3mgd s VAL 52 CO -0.01 0.45 -0.10 -0.70 0.00 0.00 0.00 175.10 174.75 3mgd s GLU 53 N 0.92 2.06 0.32 2.72 2.12 -1.26 -0.84 118.70 124.75 3mgd s GLU 53 Ca -0.08 -1.11 -0.27 0.00 0.36 0.00 0.00 54.97 53.88 3mgd s GLU 53 Cb -0.15 -2.68 -0.09 0.00 0.26 0.00 0.00 34.13 31.46 3mgd s GLU 53 CO -0.01 -0.52 1.00 -1.58 -0.54 0.00 0.00 175.26 173.60 3mgd s TRP 54 N 1.26 3.61 -0.05 5.30 0.52 0.98 -0.78 118.94 129.79 3mgd s TRP 54 Ca -0.06 1.76 0.06 0.00 0.02 0.00 0.00 56.10 57.88 3mgd s TRP 54 Cb -0.18 -3.05 -0.01 0.00 -1.15 0.00 0.00 33.47 29.08 3mgd s TRP 54 CO -0.07 -0.10 -0.24 0.42 0.02 0.00 0.00 176.95 176.99 3mgd s ILE 55 N -1.48 1.98 -0.15 2.03 1.01 0.75 -1.71 121.20 123.62 3mgd s ILE 55 Ca 0.50 -1.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.07 3mgd s ILE 55 Cb -0.23 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 3mgd s ILE 55 CO 0.29 0.55 0.01 0.00 0.00 0.00 0.00 174.94 175.80 3mgd s ALA 56 N -0.21 3.24 0.07 9.38 0.00 0.06 -1.43 121.76 132.87 3mgd s ALA 56 Ca -0.02 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.18 3mgd s ALA 56 Cb -0.13 -1.69 -0.03 0.00 0.00 0.00 0.00 23.12 21.26 3mgd s ALA 56 CO 0.03 0.28 -0.07 -2.00 0.00 0.00 0.00 175.76 174.00 3mgd s GLU 57 N 0.09 0.67 -0.26 0.00 2.12 0.43 0.03 118.70 121.79 3mgd s GLU 57 Ca 0.02 -1.04 -0.10 0.00 0.36 0.00 0.00 54.97 54.21 3mgd s GLU 57 Cb -0.13 -0.23 0.11 0.00 0.26 0.00 0.00 34.13 34.13 3mgd s GLU 57 CO 0.02 0.01 0.57 -2.00 -0.54 0.00 0.00 175.26 173.32 3mgd s GLU 58 N -2.71 0.50 -0.76 4.30 2.12 -0.25 -1.16 118.70 120.74 3mgd s GLU 58 Ca 0.01 1.25 0.00 0.00 0.36 0.00 0.00 54.97 56.58 3mgd s GLU 58 Cb -0.02 0.54 0.00 0.00 0.26 0.00 0.00 34.13 34.91 3mgd s GLU 58 CO -0.02 -0.21 0.00 0.09 -0.54 0.00 0.00 175.26 174.58 3mgd n ASN 59 N 5.18 -3.47 -1.19 -1.70 3.02 -1.26 -2.07 115.26 113.78 3mgd n ASN 59 Ca -0.13 0.11 -0.16 0.00 -0.03 0.00 0.00 54.58 54.37 3mgd n ASN 59 Cb 0.51 -2.15 -0.07 0.00 -0.61 0.00 0.00 39.78 37.46 3mgd n ASN 59 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3mgd n ASN 60 N 0.63 -5.25 -4.52 6.41 3.02 -1.26 -4.98 115.26 109.31 3mgd n ASN 60 Ca -0.09 0.38 -0.36 0.00 -0.03 0.00 0.00 54.58 54.49 3mgd n ASN 60 Cb 0.39 -4.11 -0.12 0.00 -0.61 0.00 0.00 39.78 35.33 3mgd n ASN 60 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3mgd s GLN 61 N -3.27 3.77 0.15 3.52 0.74 -0.88 -5.08 119.66 118.61 3mgd s GLN 61 Ca 0.00 -0.44 -0.30 0.00 0.05 0.00 0.00 55.36 54.67 3mgd s GLN 61 Cb 0.00 -3.25 -0.07 0.00 1.10 0.00 0.00 33.01 30.78 3mgd s GLN 61 CO 0.00 0.00 1.16 -1.50 -0.55 0.00 0.00 175.29 174.41 3mgd s ILE 62 N 1.09 3.78 -0.18 -2.34 2.07 -1.26 -1.09 121.20 123.28 3mgd s ILE 62 Ca 0.04 1.45 0.03 0.00 -1.41 0.00 0.00 60.65 60.77 3mgd s ILE 62 Cb -0.14 -3.93 -0.13 0.00 0.13 0.00 0.00 42.46 38.39 3mgd s ILE 62 CO 0.03 0.21 -0.12 -0.38 -1.91 0.00 0.00 174.94 172.77 3mgd n ILE 63 N 2.80 1.04 -3.70 2.00 2.08 0.11 -4.93 119.36 118.75 3mgd n ILE 63 Ca 0.05 -0.44 -0.12 0.00 0.56 0.00 0.00 62.75 62.80 3mgd n ILE 63 Cb 0.46 -1.05 -0.07 0.00 -0.75 0.00 0.00 39.64 38.23 3mgd n ILE 63 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3mgd s ALA 64 N -2.36 -0.84 0.15 -1.39 0.00 -0.99 -0.94 121.76 115.39 3mgd s ALA 64 Ca -0.21 0.11 0.06 0.00 0.00 0.00 0.00 51.96 51.91 3mgd s ALA 64 Cb 0.06 0.38 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 3mgd s ALA 64 CO 0.45 -0.46 -0.13 0.95 0.00 0.00 0.00 175.76 176.57 3mgd s THR 65 N -2.72 1.39 -0.28 0.00 -4.23 -0.19 -0.76 115.64 108.86 3mgd s THR 65 Ca -0.04 -1.93 -0.16 0.00 -1.18 0.00 0.00 61.69 58.39 3mgd s THR 65 Cb -0.00 -1.74 0.09 0.00 1.34 0.00 0.00 72.50 72.19 3mgd s THR 65 CO -0.04 -0.54 0.72 0.00 -0.54 0.00 0.00 174.62 174.22 3mgd s ALA 66 N -2.64 -1.93 0.13 3.99 0.00 -0.70 -1.78 121.76 118.84 3mgd s ALA 66 Ca 0.14 2.40 0.06 0.00 0.00 0.00 0.00 51.96 54.56 3mgd s ALA 66 Cb -0.02 -1.47 -0.04 0.00 0.00 0.00 0.00 23.12 21.59 3mgd s ALA 66 CO 0.03 -0.39 -0.13 0.00 0.00 0.00 0.00 175.76 175.27 3mgd s ALA 67 N 1.63 1.51 -0.05 0.00 0.00 -0.18 -0.01 121.76 124.65 3mgd s ALA 67 Ca -0.10 -1.35 0.02 0.00 0.00 0.00 0.00 51.96 50.52 3mgd s ALA 67 Cb -0.05 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.04 3mgd s ALA 67 CO -0.19 0.06 -0.08 -1.50 0.00 0.00 0.00 175.76 174.04 3mgd s ILE 68 N -2.43 0.81 0.01 0.00 2.07 -0.02 -1.20 121.20 120.44 3mgd s ILE 68 Ca 0.11 -0.28 -0.00 0.00 -1.41 0.00 0.00 60.65 59.07 3mgd s ILE 68 Cb -0.03 -0.78 -0.04 0.00 0.13 0.00 0.00 42.46 41.74 3mgd s ILE 68 CO 0.03 0.28 0.08 0.00 -1.91 0.00 0.00 174.94 173.42 3mgd s ALA 69 N 0.83 3.59 -0.33 1.50 0.00 0.39 -1.08 121.76 126.64 3mgd s ALA 69 Ca -0.12 -0.89 -0.10 0.00 0.00 0.00 0.00 51.96 50.85 3mgd s ALA 69 Cb -0.15 -1.57 0.01 0.00 0.00 0.00 0.00 23.12 21.41 3mgd s ALA 69 CO 0.01 0.70 0.17 -0.06 0.00 0.00 0.00 175.76 176.58 3mgd s PHE 70 N -1.22 3.20 -0.07 0.00 0.08 -0.28 0.27 117.98 119.97 3mgd s PHE 70 Ca 0.24 -0.75 0.03 0.00 0.12 0.00 0.00 56.93 56.57 3mgd s PHE 70 Cb -0.12 -2.38 -0.02 0.00 -0.57 0.00 0.00 43.02 39.92 3mgd s PHE 70 CO 0.15 -0.54 -0.14 0.42 -0.10 0.00 0.00 175.22 175.02 3mgd s ILE 71 N 1.58 3.10 -0.35 0.64 -1.09 -0.27 -4.94 121.20 119.87 3mgd s ILE 71 Ca 0.03 -0.70 -0.17 0.00 -2.23 0.00 0.00 60.65 57.59 3mgd s ILE 71 Cb -0.18 -2.23 -0.01 0.00 -1.58 0.00 0.00 42.46 38.46 3mgd s ILE 71 CO 0.06 0.58 0.46 -1.81 -1.23 0.00 0.00 174.94 173.00 3mgd s ASP 72 N -0.51 6.27 0.39 3.58 1.01 -1.26 -0.92 116.67 125.23 3mgd s ASP 72 Ca 0.07 -0.11 0.08 0.00 0.71 0.00 0.00 52.55 53.30 3mgd s ASP 72 Cb -0.12 -2.25 -0.03 0.00 1.01 0.00 0.00 42.92 41.53 3mgd s ASP 72 CO 0.02 -0.44 0.27 -0.36 0.21 0.00 0.00 175.17 174.86 3mgd s PHE 73 N 2.27 2.71 0.17 4.23 0.08 -0.21 -4.98 117.98 122.24 3mgd s PHE 73 Ca 0.16 -0.47 -0.32 0.00 0.12 0.00 0.00 56.93 56.43 3mgd s PHE 73 Cb -0.16 -1.96 -0.12 0.00 -0.57 0.00 0.00 43.02 40.22 3mgd s PHE 73 CO 0.13 0.09 1.77 -2.30 -0.10 0.00 0.00 175.22 174.81 3mgd n PRO 74 N -1.36 2.75 -1.53 0.24 -0.02 -1.26 -4.36 135.00 129.46 3mgd n PRO 74 Ca 0.00 1.00 -0.41 0.00 -2.02 0.00 0.00 63.50 62.07 3mgd n PRO 74 Cb 0.62 -2.86 0.02 0.00 -0.02 0.00 0.00 33.50 31.26 3mgd n PRO 74 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3mgd n PRO 75 N 4.69 0.89 -4.09 0.52 -0.02 -1.26 -4.57 135.00 131.16 3mgd n PRO 75 Ca 0.17 0.33 -0.10 0.00 -2.02 0.00 0.00 63.50 61.87 3mgd n PRO 75 Cb 0.36 -1.81 -0.08 0.00 -0.02 0.00 0.00 33.50 31.95 3mgd n PRO 75 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3mgd s THR 76 N -1.43 0.03 0.50 3.45 -1.32 -0.95 -4.89 115.64 111.03 3mgd s THR 76 Ca 0.65 -1.70 0.22 0.00 -1.21 0.00 0.00 61.69 59.66 3mgd s THR 76 Cb -0.55 -2.20 0.28 0.00 -1.51 0.00 0.00 72.50 68.52 3mgd s THR 76 CO 0.56 -0.14 2.12 1.88 -2.21 0.00 0.00 174.62 176.83 3mgd h TYR 77 N 2.55 0.00 -0.02 9.09 0.05 -1.95 -1.48 116.97 125.21 3mgd h TYR 77 Ca -0.32 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.46 3mgd h TYR 77 Cb 1.24 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.98 3mgd h TYR 77 CO 0.39 0.08 -0.02 0.25 -1.05 0.00 0.00 178.16 177.80 3mgd n THR 78 N -4.08 0.00 -2.95 -2.88 -2.24 -1.26 -4.53 114.28 96.34 3mgd n THR 78 Ca -0.03 -0.34 -0.07 0.00 -2.27 0.00 0.00 64.05 61.34 3mgd n THR 78 Cb 0.16 0.88 -0.01 0.00 -2.10 0.00 0.00 70.33 69.26 3mgd n THR 78 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3mgd s ASN 79 N -2.03 -0.90 0.26 3.42 3.04 -0.57 -5.05 114.94 113.11 3mgd s ASN 79 Ca 0.33 -1.79 -0.09 0.00 0.04 0.00 0.00 52.86 51.36 3mgd s ASN 79 Cb 0.20 1.49 0.41 0.00 -1.54 0.00 0.00 41.25 41.82 3mgd s ASN 79 CO 0.34 -0.10 1.59 0.50 -3.04 0.00 0.00 177.10 176.38 3mgd h LYS 80 N 5.50 0.01 0.00 0.43 3.64 -1.75 0.11 116.57 124.51 3mgd h LYS 80 Ca 0.09 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3mgd h LYS 80 Cb 1.09 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 3mgd h LYS 80 CO 0.09 0.00 -0.48 0.25 -2.27 0.00 0.00 179.45 177.04 3mgd n THR 81 N -5.54 0.05 -0.12 1.00 -2.24 -1.26 -4.29 114.28 101.88 3mgd n THR 81 Ca 0.14 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 3mgd n THR 81 Cb 0.47 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 3mgd n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mgd n GLY 82 N 1.47 1.90 3.78 3.38 0.00 0.34 -4.45 105.19 111.61 3mgd n GLY 82 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3mgd n GLY 82 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mgd s ARG 83 N -0.04 4.59 0.07 1.61 0.52 -1.26 -1.04 118.95 123.39 3mgd s ARG 83 Ca 0.00 1.32 0.04 0.00 -0.52 0.00 0.00 55.73 56.57 3mgd s ARG 83 Cb 0.00 -2.82 -0.03 0.00 0.52 0.00 0.00 34.95 32.62 3mgd s ARG 83 CO 0.00 0.29 -0.12 0.15 0.02 0.00 0.00 175.30 175.64 3mgd s LYS 84 N -2.02 0.76 -0.03 3.54 1.02 -0.10 -4.63 119.74 118.28 3mgd s LYS 84 Ca 0.50 -0.96 -0.19 0.00 0.02 0.00 0.00 55.97 55.34 3mgd s LYS 84 Cb -0.19 -0.64 -0.05 0.00 -0.52 0.00 0.00 37.83 36.43 3mgd s LYS 84 CO 0.24 0.13 0.52 0.20 -0.92 0.00 0.00 175.35 175.52 3mgd s GLY 85 N -1.88 2.52 -0.27 -3.33 0.00 -0.45 -1.11 107.32 102.79 3mgd s GLY 85 Ca -0.02 -0.08 0.01 0.00 0.00 0.00 0.00 44.72 44.63 3mgd s GLY 85 CO 0.01 0.63 -0.07 -0.47 0.00 0.00 0.00 173.10 173.21 3mgd s TYR 86 N -0.15 3.24 0.11 1.90 5.04 0.14 -0.56 117.35 127.08 3mgd s TYR 86 Ca 0.28 -2.08 -0.24 0.00 -2.44 0.00 0.00 57.07 52.59 3mgd s TYR 86 Cb -0.17 -2.01 -0.07 0.00 0.35 0.00 0.00 41.96 40.06 3mgd s TYR 86 CO 0.14 -0.84 0.73 0.42 -1.34 0.00 0.00 175.55 174.67 3mgd s ILE 87 N 1.18 4.54 0.22 3.14 1.01 -0.44 -0.46 121.20 130.38 3mgd s ILE 87 Ca -0.07 1.59 -0.22 0.00 0.00 0.00 0.00 60.65 61.96 3mgd s ILE 87 Cb -0.19 -4.09 0.06 0.00 0.01 0.00 0.00 42.46 38.25 3mgd s ILE 87 CO -0.04 0.49 0.94 0.28 0.00 0.00 0.00 174.94 176.61 3mgd s THR 88 N -0.83 0.00 0.08 2.92 -1.32 -0.34 -4.52 115.64 111.62 3mgd s THR 88 Ca 0.35 -0.72 0.00 0.00 -1.21 0.00 0.00 61.69 60.11 3mgd s THR 88 Cb -0.22 -2.52 0.00 0.00 -1.51 0.00 0.00 72.50 68.25 3mgd s THR 88 CO 0.24 0.00 0.00 0.59 -2.21 0.00 0.00 174.62 173.24 3mgd n ASN 89 N -0.95 -7.06 0.00 8.08 3.02 -1.26 -1.02 115.26 116.07 3mgd n ASN 89 Ca -0.05 1.52 0.00 0.00 -0.03 0.00 0.00 54.58 56.02 3mgd n ASN 89 Cb 0.60 -4.30 0.00 0.00 -0.61 0.00 0.00 39.78 35.47 3mgd n ASN 89 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mgd n TYR 91 N 1.88 0.00 -4.72 3.10 9.36 -0.73 -3.18 117.16 122.87 3mgd n TYR 91 Ca 0.00 0.00 -0.25 0.00 3.32 0.00 0.00 57.90 60.97 3mgd n TYR 91 Cb 0.00 0.00 -0.16 0.00 -0.63 0.00 0.00 39.34 38.55 3mgd n TYR 91 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 3mgd s THR 92 N -0.75 1.30 0.30 2.97 2.01 -1.26 -1.02 115.64 119.19 3mgd s THR 92 Ca 0.00 -0.61 -0.29 0.00 0.31 0.00 0.00 61.69 61.10 3mgd s THR 92 Cb 0.00 -1.15 -0.13 0.00 0.01 0.00 0.00 72.50 71.23 3mgd s THR 92 CO 0.00 0.39 1.26 -1.84 -0.69 0.00 0.00 174.62 173.74 3mgd n GLU 93 N 3.51 1.92 -0.29 4.92 0.28 -0.11 -4.77 120.64 126.10 3mgd n GLU 93 Ca -0.20 0.68 0.02 0.00 -0.16 0.00 0.00 57.16 57.50 3mgd n GLU 93 Cb 0.52 -2.24 0.10 0.00 1.43 0.00 0.00 31.44 31.25 3mgd n GLU 93 CO 0.00 0.00 0.00 -1.35 -0.16 0.00 0.00 177.13 175.62 3mgd h PRO 94 N 2.93 -0.01 0.00 3.44 0.11 -1.99 0.06 132.00 136.55 3mgd h PRO 94 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3mgd h PRO 94 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3mgd h PRO 94 CO 0.66 -0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.70 3mgd n THR 95 N -5.53 0.14 0.05 -1.15 -2.24 -1.26 -2.20 114.28 102.09 3mgd n THR 95 Ca 0.11 0.03 0.01 0.00 -2.27 0.00 0.00 64.05 61.94 3mgd n THR 95 Cb 0.41 -0.78 0.02 0.00 -2.10 0.00 0.00 70.33 67.88 3mgd n THR 95 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3mgd n SER 96 N -1.07 1.61 -4.78 3.42 7.64 -0.00 -5.05 113.62 115.39 3mgd n SER 96 Ca 0.11 -1.46 -0.34 0.00 1.01 0.00 0.00 58.87 58.19 3mgd n SER 96 Cb 0.07 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 3mgd n SER 96 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3mgd s ARG 97 N -0.53 3.34 0.00 1.43 0.52 -0.93 -3.70 118.95 119.08 3mgd s ARG 97 Ca 0.04 1.47 0.00 0.00 -0.52 0.00 0.00 55.73 56.73 3mgd s ARG 97 Cb 0.03 -2.02 0.00 0.00 0.52 0.00 0.00 34.95 33.48 3mgd s ARG 97 CO 0.04 -0.83 0.00 0.41 0.02 0.00 0.00 175.30 174.93 3mgd n GLY 98 N -0.18 0.40 0.38 -3.53 0.00 -1.26 -4.91 105.19 96.08 3mgd n GLY 98 Ca 0.11 -1.04 0.04 0.00 0.00 0.00 0.00 46.02 45.13 3mgd n GLY 98 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mgd n ASN 99 N 1.94 2.62 0.00 1.61 3.02 -1.24 -4.98 115.26 118.23 3mgd n ASN 99 Ca 0.00 -2.17 0.00 0.00 -0.03 0.00 0.00 54.58 52.38 3mgd n ASN 99 Cb 0.07 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 3mgd n ASN 99 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mgd n GLY 100 N -0.11 0.49 0.29 7.41 0.00 -1.26 -4.97 105.19 107.04 3mgd n GLY 100 Ca 0.08 -0.47 -0.16 0.00 0.00 0.00 0.00 46.02 45.47 3mgd n GLY 100 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3mgd h ILE 101 N 0.00 0.47 -0.48 -0.61 2.04 -1.94 -0.99 117.51 116.00 3mgd h ILE 101 Ca 0.00 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 3mgd h ILE 101 Cb 0.00 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 3mgd h ILE 101 CO 0.00 0.03 0.22 0.00 0.00 0.00 0.00 178.15 178.40 3mgd h ALA 102 N -0.38 1.49 -0.44 1.87 0.00 -1.93 -2.34 119.26 117.53 3mgd h ALA 102 Ca -0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3mgd h ALA 102 Cb 0.58 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3mgd h ALA 102 CO 0.11 0.41 0.18 1.15 0.00 0.00 0.00 179.25 181.10 3mgd h THR 103 N 0.67 1.20 0.00 0.00 2.02 -1.94 0.06 112.91 114.92 3mgd h THR 103 Ca 0.17 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.73 3mgd h THR 103 Cb 0.09 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 3mgd h THR 103 CO -0.02 0.23 0.00 0.61 0.37 0.00 0.00 175.52 176.71 3mgd n GLY 104 N -0.78 0.76 3.45 2.16 0.00 -0.39 -3.21 105.19 107.18 3mgd n GLY 104 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3mgd n GLY 104 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mgd n LEU 106 N 1.33 0.00 -0.31 0.99 4.32 0.01 -2.93 117.00 120.40 3mgd n LEU 106 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 55.97 3mgd n LEU 106 Cb 0.13 0.00 0.10 0.00 -1.62 0.00 0.00 43.42 42.03 3mgd n LEU 106 CO 0.00 0.00 1.22 0.44 -1.22 0.00 0.00 177.39 177.83 3mgd h ASP 107 N 0.00 0.95 -0.61 -1.43 3.32 -1.84 0.27 116.42 117.08 3mgd h ASP 107 Ca 0.00 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.94 3mgd h ASP 107 Cb 0.00 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 3mgd h ASP 107 CO 0.00 0.67 0.01 0.03 -1.72 0.00 0.00 179.24 178.22 3mgd h ARG 108 N 1.11 1.07 -0.60 3.56 3.08 -1.87 -1.92 114.38 118.82 3mgd h ARG 108 Ca 0.33 -0.34 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 3mgd h ARG 108 Cb -0.06 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 3mgd h ARG 108 CO -0.09 1.04 0.01 -0.07 -1.07 0.00 0.00 179.97 179.79 3mgd h LEU 109 N 0.98 1.02 -0.74 3.04 3.38 -1.75 -2.09 115.31 119.14 3mgd h LEU 109 Ca 0.17 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3mgd h LEU 109 Cb 0.56 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3mgd h LEU 109 CO 0.03 1.07 0.43 0.58 0.09 0.00 0.00 178.44 180.64 3mgd h VAL 110 N 0.96 1.22 -0.56 1.22 2.07 -0.80 -2.20 116.25 118.15 3mgd h VAL 110 Ca 0.17 -0.50 0.03 0.00 0.82 0.00 0.00 66.70 67.22 3mgd h VAL 110 Cb 0.54 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 3mgd h VAL 110 CO 0.03 0.23 0.32 -1.13 0.02 0.00 0.00 177.57 177.04 3mgd h ASN 111 N 1.02 0.51 -0.69 0.57 -1.24 -1.17 -1.59 115.58 112.98 3mgd h ASN 111 Ca 0.26 0.01 0.09 0.00 0.71 0.00 0.00 56.30 57.38 3mgd h ASN 111 Cb -0.01 -0.09 -0.07 0.00 0.73 0.00 0.00 38.32 38.88 3mgd h ASN 111 CO -0.05 0.35 0.34 -0.33 -1.29 0.00 0.00 177.43 176.46 3mgd h GLU 112 N 0.63 0.57 -0.36 6.67 4.39 -0.91 -1.49 114.58 124.07 3mgd h GLU 112 Ca 0.23 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.86 3mgd h GLU 112 Cb 0.06 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 3mgd h GLU 112 CO -0.12 0.38 0.08 0.00 -1.16 0.00 0.00 179.01 178.18 3mgd h ALA 113 N 1.42 0.48 -0.46 3.43 0.00 -1.04 -3.15 119.26 119.94 3mgd h ALA 113 Ca 0.34 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3mgd h ALA 113 Cb 0.35 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3mgd h ALA 113 CO -0.26 0.17 0.27 0.87 0.00 0.00 0.00 179.25 180.29 3mgd h LYS 114 N 0.44 0.53 0.00 0.00 1.57 -0.80 -0.09 116.57 118.21 3mgd h LYS 114 Ca 0.11 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3mgd h LYS 114 Cb 0.33 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3mgd h LYS 114 CO 0.00 0.35 0.00 0.93 -0.57 0.00 0.00 179.45 180.16 3mgd h GLU 115 N 0.54 0.00 -0.26 3.15 5.08 -1.26 -0.72 114.58 121.11 3mgd h GLU 115 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3mgd h GLU 115 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3mgd h GLU 115 CO -0.08 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.47 3mgd n ARG 116 N -2.61 2.87 -3.41 2.33 1.74 -0.66 -4.97 116.66 111.95 3mgd n ARG 116 Ca -0.02 -2.68 -0.22 0.00 -0.77 0.00 0.00 57.85 54.16 3mgd n ARG 116 Cb 0.07 -1.72 0.07 0.00 -1.02 0.00 0.00 32.46 29.85 3mgd n ARG 116 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3mgd n ASN 117 N -0.35 -6.10 -4.39 0.55 5.15 -0.27 -5.01 115.26 104.84 3mgd n ASN 117 Ca 0.19 -0.46 -0.33 0.00 -0.60 0.00 0.00 54.58 53.38 3mgd n ASN 117 Cb 0.80 -4.76 -0.14 0.00 -0.53 0.00 0.00 39.78 35.14 3mgd n ASN 117 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3mgd s ILE 118 N -3.27 3.22 -0.09 -1.44 1.01 -0.14 -4.99 121.20 115.51 3mgd s ILE 118 Ca 0.50 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.56 3mgd s ILE 118 Cb -0.22 -2.37 -0.00 0.00 0.01 0.00 0.00 42.46 39.87 3mgd s ILE 118 CO 0.61 0.51 0.24 0.00 0.00 0.00 0.00 174.94 176.31 3mgd n HIS 119 N 3.63 0.00 -3.84 3.97 1.44 -1.26 -3.77 115.22 115.39 3mgd n HIS 119 Ca -0.18 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.17 3mgd n HIS 119 Cb 0.52 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.50 3mgd n HIS 119 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 3mgd s LYS 120 N -0.69 3.16 -0.11 -1.40 3.01 -1.26 -5.07 119.74 117.38 3mgd s LYS 120 Ca 0.01 -0.79 0.03 0.00 -1.01 0.00 0.00 55.97 54.21 3mgd s LYS 120 Cb 0.01 -3.19 0.00 0.00 -1.01 0.00 0.00 37.83 33.64 3mgd s LYS 120 CO 0.03 -0.35 -0.23 0.42 0.51 0.00 0.00 175.35 175.74 3mgd s ILE 121 N 1.47 2.01 0.36 2.17 1.01 -1.26 -1.35 121.20 125.61 3mgd s ILE 121 Ca 0.03 -0.98 0.06 0.00 0.00 0.00 0.00 60.65 59.77 3mgd s ILE 121 Cb -0.16 -1.76 -0.07 0.00 0.01 0.00 0.00 42.46 40.48 3mgd s ILE 121 CO -0.00 0.55 0.01 0.00 0.00 0.00 0.00 174.94 175.49 3mgd s LEU 123 N -3.59 -0.27 -0.22 0.00 0.05 -1.26 -1.33 118.68 112.06 3mgd s LEU 123 Ca 0.35 -0.38 -0.06 0.00 0.05 0.00 0.00 54.13 54.08 3mgd s LEU 123 Cb 0.08 2.38 -0.03 0.00 -2.05 0.00 0.00 46.19 46.58 3mgd s LEU 123 CO 0.16 -1.03 0.03 -0.69 -0.55 0.00 0.00 176.35 174.28 3mgd s VAL 124 N -3.53 4.14 0.06 1.48 1.01 -1.26 -5.04 120.40 117.26 3mgd s VAL 124 Ca 0.10 -0.24 -0.27 0.00 0.00 0.00 0.00 61.98 61.56 3mgd s VAL 124 Cb -0.03 -2.90 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 3mgd s VAL 124 CO 0.01 0.39 0.86 0.00 0.00 0.00 0.00 175.10 176.36 3mgd s ALA 125 N 1.25 3.30 0.76 5.51 0.00 -1.26 -5.05 121.76 126.27 3mgd s ALA 125 Ca 0.04 0.42 -0.06 0.00 0.00 0.00 0.00 51.96 52.36 3mgd s ALA 125 Cb -0.15 -3.14 0.11 0.00 0.00 0.00 0.00 23.12 19.95 3mgd s ALA 125 CO 0.02 -0.00 1.06 -1.54 0.00 0.00 0.00 175.76 175.30 3mgd s SER 126 N 0.08 4.32 0.18 0.00 1.04 -1.26 -4.85 113.70 113.21 3mgd s SER 126 Ca 0.43 0.11 -0.13 0.00 0.48 0.00 0.00 55.95 56.84 3mgd s SER 126 Cb -0.22 -0.56 0.16 0.00 0.10 0.00 0.00 66.02 65.51 3mgd s SER 126 CO 0.26 -1.90 1.76 0.11 0.98 0.00 0.00 173.24 174.45 3mgd h LYS 127 N -0.76 0.40 0.00 4.02 1.57 -1.97 -1.02 116.57 118.81 3mgd h LYS 127 Ca -0.42 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.28 3mgd h LYS 127 Cb 1.28 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 3mgd h LYS 127 CO 0.48 0.27 -0.66 -0.07 -0.57 0.00 0.00 179.45 178.90 3mgd h LEU 128 N 0.42 0.00 0.02 2.94 3.38 -1.96 -3.32 115.31 116.78 3mgd h LEU 128 Ca 0.24 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.95 3mgd h LEU 128 Cb 0.21 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3mgd h LEU 128 CO -0.21 0.26 -1.32 1.23 0.09 0.00 0.00 178.44 178.49 3mgd h GLY 129 N 3.79 0.05 0.03 0.83 0.00 -1.90 -3.38 103.07 102.50 3mgd h GLY 129 Ca -0.03 -0.14 0.13 0.00 0.00 0.00 0.00 47.33 47.29 3mgd h GLY 129 CO 0.03 0.12 0.08 -0.09 0.00 0.00 0.00 176.54 176.68 3mgd h ARG 130 N 0.01 0.19 -0.74 4.80 2.43 -1.29 -1.60 114.38 118.19 3mgd h ARG 130 Ca -0.14 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.07 3mgd h ARG 130 Cb 1.89 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 31.35 3mgd h ARG 130 CO 0.12 0.13 0.45 -1.35 -1.51 0.00 0.00 179.97 177.81 3mgd h PRO 131 N 0.20 0.81 -0.49 0.20 0.11 -1.79 -1.42 132.00 129.62 3mgd h PRO 131 Ca 0.34 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.37 3mgd h PRO 131 Cb 0.54 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 3mgd h PRO 131 CO -0.47 0.54 0.20 0.28 -0.21 0.00 0.00 178.00 178.33 3mgd h VAL 132 N 0.84 1.21 -0.25 3.15 2.07 -1.53 -2.71 116.25 119.02 3mgd h VAL 132 Ca 0.32 -0.64 -0.17 0.00 0.82 0.00 0.00 66.70 67.02 3mgd h VAL 132 Cb 0.13 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3mgd h VAL 132 CO -0.16 0.24 -0.53 1.88 0.02 0.00 0.00 177.57 179.03 3mgd h TYR 133 N 0.65 0.92 0.56 1.57 0.05 -1.06 -2.08 116.97 117.58 3mgd h TYR 133 Ca 0.16 -0.32 -0.02 0.00 0.05 0.00 0.00 58.73 58.61 3mgd h TYR 133 Cb 0.19 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 3mgd h TYR 133 CO 0.00 1.10 -0.36 0.87 -1.05 0.00 0.00 178.16 178.72 3mgd h LYS 134 N 0.57 -0.85 -0.90 4.88 1.79 -1.24 -0.61 116.57 120.22 3mgd h LYS 134 Ca 0.02 0.06 0.17 0.00 -2.18 0.00 0.00 60.65 58.72 3mgd h LYS 134 Cb 1.10 0.19 -0.07 0.00 -1.58 0.00 0.00 32.23 31.87 3mgd h LYS 134 CO 0.11 -0.57 0.58 -0.22 -1.08 0.00 0.00 179.45 178.28 3mgd h LYS 135 N -0.88 0.54 0.00 3.15 3.64 -1.45 -1.35 116.57 120.23 3mgd h LYS 135 Ca -0.07 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.19 3mgd h LYS 135 Cb 0.72 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 3mgd h LYS 135 CO 0.06 0.36 -0.43 -0.92 -2.27 0.00 0.00 179.45 176.24 3mgd h TYR 136 N 0.56 0.00 0.00 1.91 3.20 -0.88 -3.46 116.97 118.30 3mgd h TYR 136 Ca 0.46 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.33 3mgd h TYR 136 Cb 0.93 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.20 3mgd h TYR 136 CO -0.00 0.43 0.00 0.41 -1.64 0.00 0.00 178.16 177.36 3mgd n GLY 137 N -0.10 0.48 3.73 1.82 0.00 -0.51 -5.10 105.19 105.51 3mgd n GLY 137 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3mgd n GLY 137 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mgd s PHE 138 N -1.30 3.03 -0.10 1.61 0.40 -0.29 -4.99 117.98 116.34 3mgd s PHE 138 Ca 0.00 0.77 -0.01 0.00 -0.60 0.00 0.00 56.93 57.09 3mgd s PHE 138 Cb 0.00 -3.90 -0.03 0.00 0.51 0.00 0.00 43.02 39.60 3mgd s PHE 138 CO 0.00 -3.18 -0.07 -0.65 0.70 0.00 0.00 175.22 172.02 3mgd s GLN 139 N 0.56 3.09 1.01 0.44 -1.52 -1.26 -4.39 119.66 117.58 3mgd s GLN 139 Ca 0.66 -0.55 -0.14 0.00 -1.95 0.00 0.00 55.36 53.38 3mgd s GLN 139 Cb -0.43 -2.69 0.09 0.00 -0.22 0.00 0.00 33.01 29.75 3mgd s GLN 139 CO 0.36 0.49 0.41 -0.25 -0.25 0.00 0.00 175.29 176.06 3mgd n ASP 140 N 2.74 -1.90 -3.51 5.90 8.00 -1.26 -5.03 116.55 121.50 3mgd n ASP 140 Ca -0.18 0.18 -0.18 0.00 0.71 0.00 0.00 54.79 55.31 3mgd n ASP 140 Cb 0.53 -1.17 -0.13 0.00 -0.02 0.00 0.00 41.12 40.33 3mgd n ASP 140 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3mgd s THR 141 N -2.38 -0.31 -0.43 -3.53 2.01 -1.26 -4.96 115.64 104.78 3mgd s THR 141 Ca 0.58 -0.10 0.06 0.00 0.31 0.00 0.00 61.69 62.54 3mgd s THR 141 Cb -0.19 -0.66 0.46 0.00 0.01 0.00 0.00 72.50 72.12 3mgd s THR 141 CO 0.66 -0.19 1.38 -0.67 -0.69 0.00 0.00 174.62 175.11 3mgd n ASP 142 N 5.32 3.71 -0.09 3.53 2.03 -1.26 -4.20 116.55 125.59 3mgd n ASP 142 Ca -0.06 -2.73 -0.22 0.00 0.52 0.00 0.00 54.79 52.31 3mgd n ASP 142 Cb 0.50 -0.65 -0.12 0.00 -0.72 0.00 0.00 41.12 40.12 3mgd n ASP 142 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 3mgd h GLU 143 N 1.67 0.03 -6.34 -0.67 5.08 -2.02 -3.48 114.58 108.86 3mgd h GLU 143 Ca 0.16 -0.06 -0.55 0.00 -1.00 0.00 0.00 59.36 57.91 3mgd h GLU 143 Cb 1.71 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.95 3mgd h GLU 143 CO 0.45 1.03 0.55 -1.58 -1.00 0.00 0.00 179.01 178.46 3mgd s TRP 144 N -2.38 3.47 0.02 4.33 0.52 -1.26 -5.04 118.94 118.59 3mgd s TRP 144 Ca -0.28 1.50 0.05 0.00 0.02 0.00 0.00 56.10 57.39 3mgd s TRP 144 Cb 0.06 -3.25 -0.02 0.00 -1.15 0.00 0.00 33.47 29.10 3mgd s TRP 144 CO 0.62 -0.55 -0.16 -0.51 0.02 0.00 0.00 176.95 176.37 3mgd s LEU 145 N 1.70 2.11 0.07 2.99 1.43 -1.26 -5.14 118.68 120.59 3mgd s LEU 145 Ca 0.52 -0.39 0.06 0.00 -1.03 0.00 0.00 54.13 53.29 3mgd s LEU 145 Cb -0.22 -0.74 -0.03 0.00 0.03 0.00 0.00 46.19 45.24 3mgd s LEU 145 CO 0.23 0.12 -0.17 -0.70 0.23 0.00 0.00 176.35 176.06 3mgd s GLU 146 N -0.82 0.98 -0.06 1.70 2.12 -1.26 -5.14 118.70 116.23 3mgd s GLU 146 Ca 0.04 -0.99 0.04 0.00 0.36 0.00 0.00 54.97 54.42 3mgd s GLU 146 Cb -0.07 -1.09 0.00 0.00 0.26 0.00 0.00 34.13 33.24 3mgd s GLU 146 CO 0.01 0.25 -0.17 -1.17 -0.54 0.00 0.00 175.26 173.64 3mgd s LEU 147 N -1.66 1.86 -0.32 2.70 2.96 -1.26 -5.11 118.68 117.86 3mgd s LEU 147 Ca 0.02 -0.38 -0.09 0.00 -0.22 0.00 0.00 54.13 53.46 3mgd s LEU 147 Cb -0.10 -1.03 0.01 0.00 0.50 0.00 0.00 46.19 45.58 3mgd s LEU 147 CO 0.03 0.12 0.13 0.21 -1.32 0.00 0.00 176.35 175.52 3mgd s ASN 148 N 0.31 5.42 0.26 3.68 3.84 -1.26 -4.97 114.94 122.22 3mgd s ASN 148 Ca -0.11 -0.71 0.23 0.00 0.21 0.00 0.00 52.86 52.48 3mgd s ASN 148 Cb -0.14 -1.95 0.99 0.00 -0.55 0.00 0.00 41.25 39.59 3mgd s ASN 148 CO 0.04 -0.24 1.71 0.18 -2.79 0.00 0.00 177.10 176.00 3mgd n LEU 149 N 4.93 0.66 0.08 3.21 4.77 -1.26 -1.43 117.00 127.96 3mgd n LEU 149 Ca -0.14 0.67 -0.12 0.00 -0.03 0.00 0.00 56.01 56.40 3mgd n LEU 149 Cb 0.48 -0.59 -0.13 0.00 -2.33 0.00 0.00 43.42 40.85 3mgd n LEU 149 CO 0.33 -0.59 0.05 -0.07 -1.33 0.00 0.00 177.39 175.78 3mgd h LEU 150 N 0.00 0.23 0.02 2.23 3.38 -2.01 -3.37 115.31 115.79 3mgd h LEU 150 Ca 0.00 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.64 3mgd h LEU 150 Cb 0.34 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3mgd h LEU 150 CO 0.00 1.18 -0.45 -0.33 0.09 0.00 0.00 178.44 178.93 3mgd h GLU 151 N 0.04 0.05 -4.21 1.13 4.39 -1.76 -3.43 114.58 110.78 3mgd h GLU 151 Ca -0.07 -0.08 -0.69 0.00 0.34 0.00 0.00 59.36 58.86 3mgd h GLU 151 Cb 1.86 0.03 -0.36 0.00 -0.10 0.00 0.00 28.75 30.18 3mgd h GLU 151 CO 0.17 1.04 -0.54 -1.01 -1.16 0.00 0.00 179.01 177.51 3mgd s HIS 152 N -2.29 3.54 0.00 4.33 3.76 -0.52 -5.06 115.29 119.06 3mgd s HIS 152 Ca -0.21 -2.64 0.00 0.00 -0.15 0.00 0.00 55.06 52.06 3mgd s HIS 152 Cb -0.00 -3.14 0.00 0.00 1.11 0.00 0.00 32.58 30.54 3mgd s HIS 152 CO 0.69 -0.92 0.00 0.72 -0.85 0.00 0.00 174.74 174.38 3mgd n HIS 153 N 4.16 0.00 0.95 1.40 -0.00 -1.26 -4.56 115.22 115.91 3mgd n HIS 153 Ca 0.02 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.85 3mgd n HIS 153 Cb 0.40 0.00 0.09 0.00 -0.00 0.00 0.00 29.99 30.48 3mgd n HIS 153 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95