#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2btd s LEU 3 N 0.00 2.63 0.45 2.46 2.96 0.38 -4.86 118.68 122.70 2btd s LEU 3 Ca 0.00 -0.46 -0.19 0.00 -0.22 0.00 0.00 54.13 53.26 2btd s LEU 3 Cb 0.00 -1.64 -0.10 0.00 0.50 0.00 0.00 46.19 44.96 2btd s LEU 3 CO 0.00 0.02 0.94 -0.94 -1.32 0.00 0.00 176.35 175.05 2btd s SER 4 N 1.23 6.81 0.27 3.68 1.04 -1.26 -0.95 113.70 124.51 2btd s SER 4 Ca 0.02 1.60 -0.01 0.00 0.48 0.00 0.00 55.95 58.05 2btd s SER 4 Cb -0.14 -2.51 0.62 0.00 0.10 0.00 0.00 66.02 64.09 2btd s SER 4 CO -0.04 -0.43 1.65 -0.09 0.98 0.00 0.00 173.24 175.31 2btd h ARG 5 N 1.58 0.19 -0.00 4.02 2.43 -1.34 -1.19 114.38 120.07 2btd h ARG 5 Ca -0.48 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 58.51 2btd h ARG 5 Cb 1.18 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 2btd h ARG 5 CO 0.62 0.13 -0.76 1.79 -1.51 0.00 0.00 179.97 180.23 2btd h THR 6 N 0.20 1.52 -0.70 0.20 1.35 -1.91 -0.12 112.91 113.45 2btd h THR 6 Ca 0.50 -2.55 0.08 0.00 -0.55 0.00 0.00 66.41 63.90 2btd h THR 6 Cb 0.97 2.38 -0.07 0.00 -1.73 0.00 0.00 68.15 69.70 2btd h THR 6 CO -0.64 0.73 0.36 1.56 -0.25 0.00 0.00 175.52 177.28 2btd h GLN 7 N 0.03 0.61 -0.71 4.72 4.20 -1.74 0.40 115.11 122.61 2btd h GLN 7 Ca -0.01 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 2btd h GLN 7 Cb 1.34 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.95 2btd h GLN 7 CO 0.10 0.40 0.29 0.82 -0.67 0.00 0.00 178.83 179.78 2btd h ILE 8 N 0.62 1.24 -0.28 2.54 2.04 0.03 0.25 117.51 123.95 2btd h ILE 8 Ca 0.33 -0.74 -0.07 0.00 1.00 0.00 0.00 64.86 65.38 2btd h ILE 8 Cb 0.31 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2btd h ILE 8 CO -0.24 0.30 -0.12 0.58 0.00 0.00 0.00 178.15 178.67 2btd h VAL 9 N 1.03 1.22 -0.31 1.67 2.07 -0.43 -2.45 116.25 119.05 2btd h VAL 9 Ca 0.24 -0.99 -0.17 0.00 0.82 0.00 0.00 66.70 66.61 2btd h VAL 9 Cb 0.18 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2btd h VAL 9 CO -0.02 0.32 -0.46 -1.13 0.02 0.00 0.00 177.57 176.30 2btd h ASN 10 N 0.44 0.90 -0.54 0.57 -0.73 0.16 -1.98 115.58 114.39 2btd h ASN 10 Ca 0.08 -0.44 0.06 0.00 1.87 0.00 0.00 56.30 57.87 2btd h ASN 10 Cb 0.48 -0.25 -0.09 0.00 0.27 0.00 0.00 38.32 38.73 2btd h ASN 10 CO 0.03 1.22 -0.55 -0.25 -0.37 0.00 0.00 177.43 177.51 2btd h TRP 11 N 0.66 -1.70 -0.45 0.67 7.01 -0.43 -0.47 115.95 121.23 2btd h TRP 11 Ca 0.04 0.09 -0.03 0.00 2.11 0.00 0.00 58.89 61.10 2btd h TRP 11 Cb 1.04 0.81 -0.02 0.00 -2.10 0.00 0.00 29.16 28.89 2btd h TRP 11 CO 0.06 -0.45 0.17 -0.07 -2.79 0.00 0.00 178.44 175.36 2btd h LEU 12 N -0.29 0.58 -0.21 0.65 3.38 -1.19 0.12 115.31 118.35 2btd h LEU 12 Ca 0.09 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.00 2btd h LEU 12 Cb 0.53 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2btd h LEU 12 CO -0.66 0.54 0.12 0.74 0.09 0.00 0.00 178.44 179.27 2btd h THR 13 N 0.64 1.01 -0.34 0.22 2.02 -1.02 -0.56 112.91 114.88 2btd h THR 13 Ca 0.15 -0.08 -0.10 0.00 0.77 0.00 0.00 66.41 67.16 2btd h THR 13 Cb 0.15 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 2btd h THR 13 CO -0.01 0.04 -0.18 0.03 0.37 0.00 0.00 175.52 175.77 2btd h ARG 14 N 0.24 0.63 -0.28 6.66 3.08 0.19 -2.18 114.38 122.72 2btd h ARG 14 Ca 0.08 -0.22 0.04 0.00 0.07 0.00 0.00 59.98 59.95 2btd h ARG 14 Cb 0.01 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 2btd h ARG 14 CO -0.05 0.78 0.07 0.00 -1.07 0.00 0.00 179.97 179.70 2btd h GLY 16 N 0.18 0.99 0.61 0.00 0.00 -0.69 0.42 103.07 104.59 2btd h GLY 16 Ca 0.13 0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.56 2btd h GLY 16 CO -0.16 -0.36 -0.18 -0.55 0.00 0.00 0.00 176.54 175.30 2btd h ASP 17 N 0.09 -0.42 -1.00 0.19 3.32 -0.60 -2.14 116.42 115.85 2btd h ASP 17 Ca 0.48 -0.14 0.11 0.00 0.02 0.00 0.00 57.03 57.50 2btd h ASP 17 Cb 0.89 0.11 -0.08 0.00 0.22 0.00 0.00 39.33 40.47 2btd h ASP 17 CO -0.75 -0.02 0.63 -0.29 -1.72 0.00 0.00 179.24 177.09 2btd h ILE 18 N -0.89 0.94 0.00 0.35 6.09 -0.64 0.19 117.51 123.55 2btd h ILE 18 Ca -0.05 -0.35 -0.05 0.00 -1.37 0.00 0.00 64.86 63.04 2btd h ILE 18 Cb 0.54 -0.17 -0.01 0.00 0.47 0.00 0.00 36.82 37.65 2btd h ILE 18 CO 0.08 0.19 -0.25 -0.26 -3.07 0.00 0.00 178.15 174.84 2btd h PHE 19 N 1.02 0.00 0.43 2.19 0.04 -0.91 0.48 116.94 120.18 2btd h PHE 19 Ca 0.49 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.24 2btd h PHE 19 Cb 0.45 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.60 2btd h PHE 19 CO -0.00 0.25 -0.21 1.03 -0.60 0.00 0.00 178.31 178.78 2btd h SER 20 N 0.00 -0.49 -0.97 2.17 0.87 -0.25 -2.96 113.55 111.92 2btd h SER 20 Ca -0.00 -0.02 0.13 0.00 -1.23 0.00 0.00 61.79 60.67 2btd h SER 20 Cb 0.78 0.13 -0.08 0.00 -0.44 0.00 0.00 62.40 62.78 2btd h SER 20 CO 0.03 -0.06 0.61 0.74 -0.53 0.00 0.00 176.83 177.63 2btd h THR 21 N -1.13 0.88 -0.47 2.23 2.02 -0.60 -2.95 112.91 112.90 2btd h THR 21 Ca -0.06 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.82 2btd h THR 21 Cb 0.48 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 2btd h THR 21 CO 0.10 0.16 0.00 -0.62 0.37 0.00 0.00 175.52 175.53 2btd n GLU 22 N -4.61 3.21 -0.21 6.66 -0.58 0.15 -4.51 120.64 120.75 2btd n GLU 22 Ca 0.19 -2.59 -0.13 0.00 -0.42 0.00 0.00 57.16 54.21 2btd n GLU 22 Cb 0.40 -1.65 -0.10 0.00 -0.57 0.00 0.00 31.44 29.52 2btd n GLU 22 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2btd h SER 23 N 2.92 -1.89 -0.39 1.62 0.87 -1.34 0.58 113.55 115.92 2btd h SER 23 Ca 0.00 0.26 0.06 0.00 -1.23 0.00 0.00 61.79 60.88 2btd h SER 23 Cb 1.18 0.79 -0.05 0.00 -0.44 0.00 0.00 62.40 63.88 2btd h SER 23 CO 0.14 -0.35 0.07 -0.33 -0.53 0.00 0.00 176.83 175.83 2btd h GLU 24 N -0.28 0.19 -0.05 2.24 4.39 -1.84 0.15 114.58 119.38 2btd h GLU 24 Ca 0.09 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 2btd h GLU 24 Cb 0.53 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2btd h GLU 24 CO -0.67 0.13 0.02 -0.92 -1.16 0.00 0.00 179.01 176.40 2btd h TYR 25 N 0.20 0.09 -0.30 4.33 3.20 -1.80 0.49 116.97 123.17 2btd h TYR 25 Ca 0.19 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 2btd h TYR 25 Cb 0.23 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 2btd h TYR 25 CO -0.20 0.27 0.10 -0.07 -1.64 0.00 0.00 178.16 176.61 2btd h LEU 26 N -0.12 0.39 -0.60 2.82 3.38 -0.53 -1.07 115.31 119.57 2btd h LEU 26 Ca 0.02 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 2btd h LEU 26 Cb 0.22 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2btd h LEU 26 CO -0.00 0.38 -0.69 0.74 0.09 0.00 0.00 178.44 178.95 2btd h THR 27 N 0.43 1.48 0.42 0.22 2.02 -0.12 -2.65 112.91 114.71 2btd h THR 27 Ca 0.11 -2.33 -0.01 0.00 0.77 0.00 0.00 66.41 64.95 2btd h THR 27 Cb 0.13 2.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.76 2btd h THR 27 CO -0.01 0.67 -0.49 1.23 0.37 0.00 0.00 175.52 177.29 2btd h GLY 28 N 1.97 -1.18 -0.03 2.16 0.00 0.11 -1.29 103.07 104.81 2btd h GLY 28 Ca -0.01 0.57 0.25 0.00 0.00 0.00 0.00 47.33 48.14 2btd h GLY 28 CO 0.09 -0.35 0.65 1.41 0.00 0.00 0.00 176.54 178.35 2btd h LEU 29 N -0.93 0.46 0.00 3.11 3.38 -1.15 -0.50 115.31 119.69 2btd h LEU 29 Ca -0.05 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2btd h LEU 29 Cb 0.83 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2btd h LEU 29 CO -0.10 0.12 -0.46 -0.67 0.09 0.00 0.00 178.44 177.41 2btd n ASP 30 N -4.61 0.47 0.10 -0.43 2.03 -0.95 -3.00 116.55 110.15 2btd n ASP 30 Ca 0.24 -0.12 -0.05 0.00 0.52 0.00 0.00 54.79 55.38 2btd n ASP 30 Cb 0.82 0.16 -0.02 0.00 -0.72 0.00 0.00 41.12 41.36 2btd n ASP 30 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2btd h ARG 31 N 0.00 -0.31 -0.82 -0.67 2.43 0.08 0.47 114.38 115.56 2btd h ARG 31 Ca 0.00 0.02 0.22 0.00 -0.81 0.00 0.00 59.98 59.41 2btd h ARG 31 Cb 0.53 0.07 -0.15 0.00 -0.42 0.00 0.00 29.97 30.00 2btd h ARG 31 CO 0.00 -0.21 -0.01 0.39 -1.51 0.00 0.00 179.97 178.63 2btd n GLU 32 N -4.68 -0.07 -1.14 0.20 4.71 -1.09 -2.96 120.64 115.62 2btd n GLU 32 Ca -0.04 1.23 0.05 0.00 -0.01 0.00 0.00 57.16 58.39 2btd n GLU 32 Cb 0.13 -1.95 0.08 0.00 -1.01 0.00 0.00 31.44 28.69 2btd n GLU 32 CO 0.00 0.00 0.00 0.44 0.09 0.00 0.00 177.13 177.66 2btd n ILE 33 N -5.19 0.72 -1.77 -3.67 -5.35 -1.16 -4.97 119.36 97.97 2btd n ILE 33 Ca 0.18 -1.67 0.00 0.00 -0.27 0.00 0.00 62.75 61.00 2btd n ILE 33 Cb 0.60 0.57 0.00 0.00 -1.74 0.00 0.00 39.64 39.07 2btd n ILE 33 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2btd n GLY 34 N -0.07 2.06 1.42 3.28 0.00 0.15 -3.49 105.19 108.54 2btd n GLY 34 Ca 0.10 -0.43 0.05 0.00 0.00 0.00 0.00 46.02 45.74 2btd n GLY 34 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2btd n ASP 35 N 0.00 4.15 -3.44 1.61 3.85 -1.01 -4.37 116.55 117.33 2btd n ASP 35 Ca 0.00 -2.58 -0.19 0.00 -0.71 0.00 0.00 54.79 51.31 2btd n ASP 35 Cb 0.00 -0.60 0.09 0.00 -1.35 0.00 0.00 41.12 39.26 2btd n ASP 35 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2btd n ALA 36 N 0.50 -1.79 -0.45 2.12 0.00 -0.13 -4.89 120.51 115.87 2btd n ALA 36 Ca 0.19 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2btd n ALA 36 Cb 0.86 -3.27 0.00 0.00 0.00 0.00 0.00 19.45 17.04 2btd n ALA 36 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2btd n ASP 37 N -3.06 0.29 -0.00 0.00 5.68 -1.26 -4.88 116.55 113.31 2btd n ASP 37 Ca -0.20 -0.79 -0.02 0.00 -0.50 0.00 0.00 54.79 53.27 2btd n ASP 37 Cb 0.64 0.10 0.23 0.00 -1.14 0.00 0.00 41.12 40.95 2btd n ASP 37 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 2btd h HIS 38 N 0.00 0.57 0.02 2.11 2.76 -1.88 0.67 115.15 119.40 2btd h HIS 38 Ca 0.00 -0.09 -0.26 0.00 -2.20 0.00 0.00 60.37 57.82 2btd h HIS 38 Cb 0.23 -0.15 0.02 0.00 1.55 0.00 0.00 27.41 29.06 2btd h HIS 38 CO 0.00 0.64 -1.02 0.78 -1.30 0.00 0.00 177.93 177.04 2btd h GLY 39 N 0.95 0.73 0.56 5.26 0.00 -1.73 -1.01 103.07 107.82 2btd h GLY 39 Ca 0.09 -1.32 0.07 0.00 0.00 0.00 0.00 47.33 46.16 2btd h GLY 39 CO 0.03 1.17 0.21 1.41 0.00 0.00 0.00 176.54 179.36 2btd h LEU 40 N 0.31 0.24 -0.55 3.11 3.38 -1.71 -1.96 115.31 118.14 2btd h LEU 40 Ca -0.13 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 2btd h LEU 40 Cb 1.68 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.43 2btd h LEU 40 CO 0.20 0.17 0.14 0.78 0.09 0.00 0.00 178.44 179.82 2btd h ASN 41 N 0.41 0.83 1.13 -0.43 -0.26 -0.66 -2.16 115.58 114.44 2btd h ASN 41 Ca 0.25 -0.23 -0.13 0.00 -0.56 0.00 0.00 56.30 55.63 2btd h ASN 41 Cb 0.24 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.27 2btd h ASN 41 CO -0.23 0.84 -0.61 0.24 -1.06 0.00 0.00 177.43 176.61 2btd h MET 42 N 0.78 0.00 0.18 0.81 2.86 -1.06 -2.42 114.93 116.07 2btd h MET 42 Ca 0.17 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.57 2btd h MET 42 Cb 0.33 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.01 2btd h MET 42 CO 0.00 0.61 -1.09 -0.97 1.06 0.00 0.00 176.91 176.52 2btd h ASN 43 N 0.00 0.61 -0.41 1.22 -1.24 -1.18 -1.65 115.58 112.93 2btd h ASN 43 Ca -0.01 -0.94 0.08 0.00 0.71 0.00 0.00 56.30 56.15 2btd h ASN 43 Cb 1.34 -0.20 -0.08 0.00 0.73 0.00 0.00 38.32 40.11 2btd h ASN 43 CO 0.08 1.52 -0.15 -0.09 -1.29 0.00 0.00 177.43 177.51 2btd h ARG 44 N -0.18 -0.06 -0.11 6.67 2.43 -1.42 0.12 114.38 121.84 2btd h ARG 44 Ca -0.19 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.96 2btd h ARG 44 Cb 1.84 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 31.40 2btd h ARG 44 CO 0.19 -0.04 -0.01 0.78 -1.51 0.00 0.00 179.97 179.39 2btd h GLY 45 N -0.06 0.21 1.71 2.80 0.00 -1.40 -2.54 103.07 103.79 2btd h GLY 45 Ca 0.20 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.30 2btd h GLY 45 CO -0.45 0.15 -0.55 0.74 0.00 0.00 0.00 176.54 176.43 2btd h PHE 46 N -0.10 0.00 -0.33 5.60 -1.00 -1.19 -0.23 116.94 119.69 2btd h PHE 46 Ca 0.03 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.67 2btd h PHE 46 Cb 0.39 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.94 2btd h PHE 46 CO 0.04 0.29 -0.35 0.66 -1.61 0.00 0.00 178.31 177.34 2btd h SER 47 N 0.00 0.79 -0.74 2.17 4.64 -0.78 -1.00 113.55 118.62 2btd h SER 47 Ca -0.03 -0.34 -0.03 0.00 -0.47 0.00 0.00 61.79 60.92 2btd h SER 47 Cb 1.24 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 63.08 2btd h SER 47 CO 0.03 1.06 0.34 0.11 -0.87 0.00 0.00 176.83 177.51 2btd h LYS 48 N 0.62 1.10 -0.81 4.77 1.57 -1.17 -2.11 116.57 120.54 2btd h LYS 48 Ca 0.06 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2btd h LYS 48 Cb 0.89 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.96 2btd h LYS 48 CO 0.08 0.86 0.54 0.28 -0.57 0.00 0.00 179.45 180.64 2btd h VAL 49 N 1.08 1.20 0.03 0.50 2.07 -0.04 -2.87 116.25 118.23 2btd h VAL 49 Ca 0.26 -0.38 -0.28 0.00 0.82 0.00 0.00 66.70 67.12 2btd h VAL 49 Cb 0.14 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.89 2btd h VAL 49 CO -0.03 0.20 -1.53 0.58 0.02 0.00 0.00 177.57 176.81 2btd h VAL 50 N 1.10 1.09 0.00 2.57 2.07 -1.04 -2.65 116.25 119.39 2btd h VAL 50 Ca 0.30 -2.86 -0.01 0.00 0.82 0.00 0.00 66.70 64.95 2btd h VAL 50 Cb -0.12 2.59 -0.00 0.00 -1.52 0.00 0.00 31.29 32.24 2btd h VAL 50 CO -0.07 0.69 -0.03 -0.33 0.02 0.00 0.00 177.57 177.86 2btd h GLU 51 N 0.02 0.00 0.00 1.57 5.08 -1.17 -2.36 114.58 117.72 2btd h GLU 51 Ca -0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2btd h GLU 51 Cb 1.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.21 2btd h GLU 51 CO 0.11 0.03 -0.70 1.63 -1.00 0.00 0.00 179.01 179.07 2btd n LYS 52 N -3.46 0.20 -0.19 2.33 5.02 -1.00 -4.32 118.16 116.74 2btd n LYS 52 Ca -0.02 0.03 -0.07 0.00 -2.02 0.00 0.00 58.31 56.23 2btd n LYS 52 Cb 0.13 -1.60 0.03 0.00 -0.02 0.00 0.00 35.03 33.56 2btd n LYS 52 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2btd h LEU 53 N 0.00 0.67 -0.72 -0.35 4.07 -1.39 -2.64 115.31 114.95 2btd h LEU 53 Ca 0.00 -0.07 0.15 0.00 0.08 0.00 0.00 57.88 58.04 2btd h LEU 53 Cb 0.66 -0.17 -0.10 0.00 1.08 0.00 0.00 40.66 42.14 2btd h LEU 53 CO 0.00 0.54 0.22 -0.65 -1.08 0.00 0.00 178.44 177.47 2btd h PRO 54 N 0.74 0.32 -0.60 1.13 0.11 -1.76 0.35 132.00 132.29 2btd h PRO 54 Ca 0.20 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.21 2btd h PRO 54 Cb 0.00 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 2btd h PRO 54 CO -0.04 0.21 0.09 0.00 -0.21 0.00 0.00 178.00 178.06 2btd h ALA 55 N 1.56 0.80 -0.14 -0.75 0.00 -1.80 -3.35 119.26 115.58 2btd h ALA 55 Ca 0.40 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2btd h ALA 55 Cb 0.64 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2btd h ALA 55 CO -0.45 0.57 0.00 0.44 0.00 0.00 0.00 179.25 179.81 2btd n ILE 56 N -4.29 0.19 0.34 0.00 -5.35 -0.49 -4.61 119.36 105.17 2btd n ILE 56 Ca 0.03 -0.60 0.11 0.00 -0.27 0.00 0.00 62.75 62.02 2btd n ILE 56 Cb 0.29 1.24 0.47 0.00 -1.74 0.00 0.00 39.64 39.89 2btd n ILE 56 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2btd n ALA 57 N 1.16 1.51 0.71 -1.28 0.00 0.11 -2.33 120.51 120.38 2btd n ALA 57 Ca 0.13 0.09 0.09 0.00 0.00 0.00 0.00 53.44 53.75 2btd n ALA 57 Cb 0.51 -1.34 -0.11 0.00 0.00 0.00 0.00 19.45 18.52 2btd n ALA 57 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2btd n ASP 58 N -2.12 0.83 -3.58 0.00 8.00 -1.26 -4.95 116.55 113.48 2btd n ASP 58 Ca 0.01 -0.78 -0.30 0.00 0.71 0.00 0.00 54.79 54.43 2btd n ASP 58 Cb 0.17 1.13 0.26 0.00 -0.02 0.00 0.00 41.12 42.65 2btd n ASP 58 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2btd s LYS 59 N -2.76 -1.78 0.74 -1.24 -0.14 -0.98 -5.03 119.74 108.54 2btd s LYS 59 Ca 0.05 -0.16 -0.07 0.00 -1.36 0.00 0.00 55.97 54.42 2btd s LYS 59 Cb 0.13 -1.54 0.09 0.00 -1.68 0.00 0.00 37.83 34.83 2btd s LYS 59 CO 0.73 -4.06 1.05 0.16 -0.76 0.00 0.00 175.35 172.48 2btd s ASP 60 N -3.90 4.53 0.13 2.83 -4.77 -1.26 -4.83 116.67 109.39 2btd s ASP 60 Ca 0.72 0.32 -0.18 0.00 -3.30 0.00 0.00 52.55 50.11 2btd s ASP 60 Cb -0.08 -0.85 -0.03 0.00 -1.09 0.00 0.00 42.92 40.87 2btd s ASP 60 CO 0.56 -1.78 1.72 0.40 0.70 0.00 0.00 175.17 176.77 2btd h ILE 61 N -0.72 1.14 -0.76 2.11 2.04 -1.86 -0.06 117.51 119.40 2btd h ILE 61 Ca -0.43 -0.37 0.14 0.00 1.00 0.00 0.00 64.86 65.19 2btd h ILE 61 Cb 1.30 0.80 -0.09 0.00 -0.74 0.00 0.00 36.82 38.08 2btd h ILE 61 CO 0.55 0.14 0.31 1.23 0.00 0.00 0.00 178.15 180.38 2btd h GLY 62 N 0.39 1.15 1.06 5.37 0.00 -1.83 -0.69 103.07 108.53 2btd h GLY 62 Ca 0.11 -0.16 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 2btd h GLY 62 CO -0.02 -0.08 0.22 -2.75 0.00 0.00 0.00 176.54 173.91 2btd h PHE 63 N 0.46 1.21 -0.14 5.60 3.57 -1.39 -0.78 116.94 125.47 2btd h PHE 63 Ca 0.41 -0.13 -0.06 0.00 3.53 0.00 0.00 57.97 61.72 2btd h PHE 63 Cb 0.61 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 2btd h PHE 63 CO -0.16 0.95 -0.16 0.82 -2.23 0.00 0.00 178.31 177.54 2btd h ILE 64 N 1.11 1.36 -0.18 1.41 2.04 -0.46 -1.18 117.51 121.61 2btd h ILE 64 Ca 0.24 -1.35 -0.00 0.00 1.00 0.00 0.00 64.86 64.75 2btd h ILE 64 Cb 0.32 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 2btd h ILE 64 CO -0.01 0.39 0.11 -0.07 0.00 0.00 0.00 178.15 178.58 2btd h LEU 65 N -0.03 0.21 -0.73 1.44 3.38 -1.16 0.15 115.31 118.57 2btd h LEU 65 Ca 0.02 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2btd h LEU 65 Cb 0.71 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 2btd h LEU 65 CO 0.04 0.20 0.41 0.50 0.09 0.00 0.00 178.44 179.68 2btd h LYS 66 N 0.21 1.01 -0.32 1.13 1.63 -1.15 0.55 116.57 119.63 2btd h LYS 66 Ca 0.06 -0.11 -0.10 0.00 -0.85 0.00 0.00 60.65 59.65 2btd h LYS 66 Cb 0.03 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.45 2btd h LYS 66 CO -0.01 0.75 -0.20 -0.97 -3.45 0.00 0.00 179.45 175.57 2btd h ASN 67 N 1.00 0.73 -0.17 4.20 -1.24 -0.99 -1.41 115.58 117.72 2btd h ASN 67 Ca 0.26 -0.43 0.05 0.00 0.71 0.00 0.00 56.30 56.89 2btd h ASN 67 Cb 0.02 -0.20 -0.07 0.00 0.73 0.00 0.00 38.32 38.80 2btd h ASN 67 CO -0.04 1.00 -0.36 0.74 -1.29 0.00 0.00 177.43 177.48 2btd h THR 68 N 0.47 0.23 -0.81 -3.57 2.02 -0.46 -0.98 112.91 109.81 2btd h THR 68 Ca 0.07 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.32 2btd h THR 68 Cb 0.75 0.23 -0.10 0.00 -1.74 0.00 0.00 68.15 67.29 2btd h THR 68 CO 0.06 0.00 -0.47 0.61 0.37 0.00 0.00 175.52 176.09 2btd n GLY 69 N -1.42 -2.07 0.23 2.16 0.00 0.19 -1.20 105.19 103.07 2btd n GLY 69 Ca -0.03 0.96 -0.04 0.00 0.00 0.00 0.00 46.02 46.90 2btd n GLY 69 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2btd h MET 70 N 0.00 0.47 -0.05 1.61 2.07 -0.97 0.95 114.93 119.02 2btd h MET 70 Ca 0.14 -0.20 0.03 0.00 -2.07 0.00 0.00 59.70 57.59 2btd h MET 70 Cb 0.34 -0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 30.02 2btd h MET 70 CO -0.76 0.74 -0.14 1.15 1.07 0.00 0.00 176.91 178.97 2btd h THR 71 N 0.41 0.64 0.34 2.22 2.02 -0.40 0.42 112.91 118.57 2btd h THR 71 Ca 0.05 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 2btd h THR 71 Cb 0.77 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 2btd h THR 71 CO 0.06 0.00 -0.22 -0.07 0.37 0.00 0.00 175.52 175.66 2btd h LEU 72 N -0.21 -0.55 -0.98 2.58 3.38 -0.61 0.35 115.31 119.26 2btd h LEU 72 Ca 0.06 0.04 0.33 0.00 0.09 0.00 0.00 57.88 58.40 2btd h LEU 72 Cb 0.30 0.17 -0.17 0.00 0.09 0.00 0.00 40.66 41.04 2btd h LEU 72 CO -0.17 -0.35 0.30 0.25 0.09 0.00 0.00 178.44 178.56 2btd h LEU 73 N -0.54 -0.03 0.00 1.67 6.46 -0.75 0.15 115.31 122.27 2btd h LEU 73 Ca -0.03 0.25 0.00 0.00 -0.12 0.00 0.00 57.88 57.98 2btd h LEU 73 Cb 0.45 0.35 0.00 0.00 -0.73 0.00 0.00 40.66 40.73 2btd h LEU 73 CO 0.03 -0.35 -1.09 -0.24 -0.62 0.00 0.00 178.44 176.17 2btd n SER 74 N -5.33 0.72 -0.03 1.25 2.88 0.13 -4.66 113.62 108.58 2btd n SER 74 Ca 0.29 0.22 -0.03 0.00 -1.33 0.00 0.00 58.87 58.03 2btd n SER 74 Cb 0.97 0.64 -0.03 0.00 -0.75 0.00 0.00 64.21 65.04 2btd n SER 74 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2btd n SER 75 N -2.51 3.75 -0.01 -3.46 2.88 0.11 -4.75 113.62 109.64 2btd n SER 75 Ca -0.00 -0.01 -0.13 0.00 -1.33 0.00 0.00 58.87 57.40 2btd n SER 75 Cb 0.53 0.42 -0.10 0.00 -0.75 0.00 0.00 64.21 64.32 2btd n SER 75 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2btd h VAL 76 N 0.00 1.37 -0.54 2.46 2.07 -0.95 -3.38 116.25 117.29 2btd h VAL 76 Ca -0.13 -1.13 0.06 0.00 0.82 0.00 0.00 66.70 66.32 2btd h VAL 76 Cb 1.27 2.14 -0.02 0.00 -1.52 0.00 0.00 31.29 33.16 2btd h VAL 76 CO -0.00 0.29 -0.09 0.61 0.02 0.00 0.00 177.57 178.41 2btd n GLY 77 N 0.21 -2.20 7.00 2.17 0.00 -1.26 -4.64 105.19 106.47 2btd n GLY 77 Ca -0.08 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.46 2btd n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2btd n GLY 78 N -1.52 0.94 0.08 -0.02 0.00 -1.26 -2.66 105.19 100.76 2btd n GLY 78 Ca 0.00 -0.72 -0.05 0.00 0.00 0.00 0.00 46.02 45.25 2btd n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2btd h ALA 79 N -0.83 0.55 0.01 4.61 0.00 -2.03 -3.35 119.26 118.22 2btd h ALA 79 Ca 0.00 -1.00 -0.24 0.00 0.00 0.00 0.00 54.91 53.67 2btd h ALA 79 Cb 0.00 0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.88 2btd h ALA 79 CO 0.00 1.22 -1.00 0.66 0.00 0.00 0.00 179.25 180.14 2btd h SER 80 N 0.00 0.65 -0.18 0.00 4.64 -1.97 -3.32 113.55 113.38 2btd h SER 80 Ca -0.10 -0.53 0.05 0.00 -0.47 0.00 0.00 61.79 60.73 2btd h SER 80 Cb 1.76 -0.20 -0.07 0.00 -0.31 0.00 0.00 62.40 63.58 2btd h SER 80 CO 0.10 1.34 -0.44 1.23 -0.87 0.00 0.00 176.83 178.18 2btd h GLY 81 N 0.97 -0.74 1.60 -0.77 0.00 -1.64 0.48 103.07 102.97 2btd h GLY 81 Ca -0.10 0.55 0.01 0.00 0.00 0.00 0.00 47.33 47.79 2btd h GLY 81 CO 0.18 -0.21 0.24 -2.55 0.00 0.00 0.00 176.54 174.20 2btd h PRO 82 N -0.48 0.44 -0.04 4.80 0.11 -1.77 0.03 132.00 135.10 2btd h PRO 82 Ca 0.08 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.04 2btd h PRO 82 Cb 0.63 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.65 2btd h PRO 82 CO -0.44 0.29 -0.46 -0.07 -0.21 0.00 0.00 178.00 177.12 2btd h LEU 83 N 0.45 0.47 -0.54 2.35 3.38 -0.98 -0.77 115.31 119.67 2btd h LEU 83 Ca 0.14 -0.71 -0.08 0.00 0.09 0.00 0.00 57.88 57.32 2btd h LEU 83 Cb 0.01 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2btd h LEU 83 CO -0.03 1.11 0.05 -0.26 0.09 0.00 0.00 178.44 179.40 2btd h PHE 84 N -0.14 1.00 -0.37 1.13 0.05 0.01 -1.05 116.94 117.58 2btd h PHE 84 Ca -0.05 -0.16 0.07 0.00 3.82 0.00 0.00 57.97 61.66 2btd h PHE 84 Cb 1.15 -0.27 -0.09 0.00 2.00 0.00 0.00 35.95 38.75 2btd h PHE 84 CO 0.14 0.90 -0.35 0.78 -0.18 0.00 0.00 178.31 179.60 2btd h GLY 85 N 0.81 -0.34 1.43 -1.45 0.00 -1.04 -1.25 103.07 101.23 2btd h GLY 85 Ca 0.16 0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.90 2btd h GLY 85 CO 0.02 -0.20 0.17 -0.84 0.00 0.00 0.00 176.54 175.69 2btd h THR 86 N -0.29 1.20 -0.34 4.70 2.02 -0.96 0.79 112.91 120.02 2btd h THR 86 Ca 0.16 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.69 2btd h THR 86 Cb 0.55 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 2btd h THR 86 CO -0.53 0.25 0.22 0.15 0.37 0.00 0.00 175.52 175.98 2btd h PHE 87 N 0.72 0.44 0.01 3.16 3.57 -0.09 0.17 116.94 124.92 2btd h PHE 87 Ca 0.17 0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.48 2btd h PHE 87 Cb 0.19 -0.15 0.02 0.00 2.79 0.00 0.00 35.95 38.80 2btd h PHE 87 CO 0.01 0.30 -0.75 0.74 -2.23 0.00 0.00 178.31 176.37 2btd h PHE 88 N 0.46 0.75 -0.32 0.41 -1.00 -0.20 0.12 116.94 117.16 2btd h PHE 88 Ca 0.12 -0.41 0.05 0.00 2.81 0.00 0.00 57.97 60.55 2btd h PHE 88 Cb -0.03 -0.08 -0.05 0.00 3.61 0.00 0.00 35.95 39.40 2btd h PHE 88 CO -0.05 1.24 0.01 0.82 -1.61 0.00 0.00 178.31 178.72 2btd h ILE 89 N 0.04 0.78 0.00 -0.55 2.04 -0.80 0.67 117.51 119.70 2btd h ILE 89 Ca -0.10 -0.04 -0.06 0.00 1.00 0.00 0.00 64.86 65.67 2btd h ILE 89 Cb 1.45 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 2btd h ILE 89 CO 0.15 0.02 -0.28 0.03 0.00 0.00 0.00 178.15 178.07 2btd h ARG 90 N 0.11 0.00 -0.26 2.37 2.47 -0.84 -2.27 114.38 115.94 2btd h ARG 90 Ca 0.15 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.76 2btd h ARG 90 Cb 0.20 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.52 2btd h ARG 90 CO -0.25 0.28 -0.28 0.00 0.56 0.00 0.00 179.97 180.28 2btd h ALA 91 N 1.72 0.39 -0.20 0.04 0.00 0.34 -3.31 119.26 118.23 2btd h ALA 91 Ca -0.00 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.53 2btd h ALA 91 Cb 0.67 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2btd h ALA 91 CO 0.04 0.40 -0.23 0.00 0.00 0.00 0.00 179.25 179.45 2btd h ALA 92 N 0.69 -0.46 -2.51 0.00 0.00 0.90 -3.32 119.26 114.56 2btd h ALA 92 Ca 0.04 0.01 -0.53 0.00 0.00 0.00 0.00 54.91 54.42 2btd h ALA 92 Cb 0.85 0.92 0.02 0.00 0.00 0.00 0.00 17.79 19.58 2btd h ALA 92 CO 0.07 -0.57 0.76 1.14 0.00 0.00 0.00 179.25 180.64 2btd s GLN 93 N -4.07 4.31 0.00 0.00 -2.07 -1.07 -0.47 119.66 116.29 2btd s GLN 93 Ca -0.06 2.07 0.00 0.00 -1.82 0.00 0.00 55.36 55.56 2btd s GLN 93 Cb 0.04 -3.32 0.00 0.00 -1.09 0.00 0.00 33.01 28.64 2btd s GLN 93 CO 0.25 -0.48 0.00 0.00 -1.32 0.00 0.00 175.29 173.74 2btd n ALA 94 N 4.27 0.00 -3.49 2.60 0.00 -1.26 -4.82 120.51 117.80 2btd n ALA 94 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.20 2btd n ALA 94 Cb 0.42 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.82 2btd n ALA 94 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2btd n THR 95 N -0.19 3.35 -1.41 0.00 -1.04 0.38 -4.90 114.28 110.47 2btd n THR 95 Ca 0.00 -5.27 -0.35 0.00 -2.04 0.00 0.00 64.05 56.39 2btd n THR 95 Cb 0.00 -2.30 -0.16 0.00 -1.82 0.00 0.00 70.33 66.06 2btd n THR 95 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2btd n GLN 96 N 1.93 0.00 -1.86 -2.82 1.13 -1.26 -4.25 117.38 110.24 2btd n GLN 96 Ca 0.24 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.30 2btd n GLN 96 Cb 0.37 -1.32 0.00 0.00 0.11 0.00 0.00 30.24 29.40 2btd n GLN 96 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2btd n ALA 97 N 8.93 -0.40 -1.16 -1.58 0.00 -1.26 -4.77 120.51 120.27 2btd n ALA 97 Ca 0.63 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.07 2btd n ALA 97 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 2btd n ALA 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2btd n ARG 98 N -0.69 0.11 0.00 0.00 5.12 -1.26 -4.85 116.66 115.09 2btd n ARG 98 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2btd n ARG 98 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2btd n ARG 98 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 2btd n GLN 99 N -0.97 0.88 -3.42 5.56 -0.06 -1.26 -2.90 117.38 115.20 2btd n GLN 99 Ca 0.00 0.00 -0.15 0.00 -2.00 0.00 0.00 57.00 54.85 2btd n GLN 99 Cb 0.00 -0.26 -0.04 0.00 -4.06 0.00 0.00 30.24 25.88 2btd n GLN 99 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 2btd n SER 100 N -0.36 0.82 -3.78 1.69 3.41 -1.26 -0.84 113.62 113.30 2btd n SER 100 Ca 0.00 -2.31 -0.13 0.00 -0.26 0.00 0.00 58.87 56.17 2btd n SER 100 Cb 0.00 0.69 -0.14 0.00 -0.26 0.00 0.00 64.21 64.50 2btd n SER 100 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2btd s LEU 101 N 0.00 1.03 0.68 1.04 1.43 -0.13 -4.91 118.68 117.82 2btd s LEU 101 Ca 0.15 0.29 -0.12 0.00 -1.03 0.00 0.00 54.13 53.41 2btd s LEU 101 Cb 0.01 0.40 0.00 0.00 0.03 0.00 0.00 46.19 46.63 2btd s LEU 101 CO 0.10 -0.11 1.06 0.42 0.23 0.00 0.00 176.35 178.06 2btd s THR 102 N 0.73 3.92 0.22 5.49 -4.23 -1.26 -0.47 115.64 120.04 2btd s THR 102 Ca -0.05 0.69 -0.13 0.00 -1.18 0.00 0.00 61.69 61.01 2btd s THR 102 Cb -0.07 -3.36 0.27 0.00 1.34 0.00 0.00 72.50 70.68 2btd s THR 102 CO -0.04 -0.75 1.60 0.25 -0.54 0.00 0.00 174.62 175.15 2btd h LEU 103 N -0.48 -0.76 -1.67 4.79 5.85 -1.96 -0.49 115.31 120.59 2btd h LEU 103 Ca -0.44 0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.51 2btd h LEU 103 Cb 1.21 0.48 -0.02 0.00 0.37 0.00 0.00 40.66 42.70 2btd h LEU 103 CO 0.56 -0.25 0.23 -0.08 -0.34 0.00 0.00 178.44 178.56 2btd h GLU 104 N -0.02 0.43 0.00 1.25 4.57 -1.93 0.62 114.58 119.51 2btd h GLU 104 Ca 0.33 -0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 58.38 2btd h GLU 104 Cb 0.54 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 2btd h GLU 104 CO -0.75 0.29 -0.55 0.93 -1.18 0.00 0.00 179.01 177.75 2btd h GLU 105 N 0.45 0.00 0.04 1.92 5.08 -1.59 -2.22 114.58 118.26 2btd h GLU 105 Ca 0.13 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2btd h GLU 105 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2btd h GLU 105 CO -0.03 0.49 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.38 2btd h LEU 106 N 0.00 -0.04 -0.36 1.33 3.38 -0.25 -1.41 115.31 117.95 2btd h LEU 106 Ca -0.01 -0.49 0.04 0.00 0.09 0.00 0.00 57.88 57.51 2btd h LEU 106 Cb 1.39 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 42.09 2btd h LEU 106 CO 0.06 0.48 -0.40 0.22 0.09 0.00 0.00 178.44 178.89 2btd h TYR 107 N -0.58 -1.23 -0.89 1.13 3.20 -0.95 0.34 116.97 118.00 2btd h TYR 107 Ca -0.00 0.06 0.19 0.00 3.14 0.00 0.00 58.73 62.12 2btd h TYR 107 Cb 0.53 0.59 -0.07 0.00 1.54 0.00 0.00 36.73 39.32 2btd h TYR 107 CO 0.10 -0.33 0.59 0.37 -1.64 0.00 0.00 178.16 177.25 2btd h GLN 108 N -0.23 0.41 0.05 1.82 5.75 -1.43 0.52 115.11 122.01 2btd h GLN 108 Ca 0.06 -0.02 -0.23 0.00 -0.15 0.00 0.00 58.65 58.30 2btd h GLN 108 Cb 0.40 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 2btd h GLN 108 CO -0.47 0.27 -1.06 1.98 -2.65 0.00 0.00 178.83 176.91 2btd h MET 109 N 0.42 0.19 -0.30 1.69 1.85 -0.05 -0.66 114.93 118.07 2btd h MET 109 Ca 0.46 -0.28 -0.13 0.00 -0.61 0.00 0.00 59.70 59.15 2btd h MET 109 Cb 1.11 0.10 -0.00 0.00 0.43 0.00 0.00 31.60 33.24 2btd h MET 109 CO -0.17 1.08 -0.30 0.74 -0.40 0.00 0.00 176.91 177.86 2btd h PHE 110 N 0.08 0.88 -0.64 1.39 0.04 0.12 -1.41 116.94 117.40 2btd h PHE 110 Ca -0.07 -0.27 0.09 0.00 2.80 0.00 0.00 57.97 60.52 2btd h PHE 110 Cb 1.76 -0.18 -0.07 0.00 2.20 0.00 0.00 35.95 39.66 2btd h PHE 110 CO 0.04 1.02 0.27 -0.09 -0.60 0.00 0.00 178.31 178.95 2btd h ARG 111 N 0.49 0.47 0.07 1.51 9.65 0.13 0.28 114.38 126.98 2btd h ARG 111 Ca 0.05 -0.03 -0.25 0.00 -1.10 0.00 0.00 59.98 58.65 2btd h ARG 111 Cb 0.88 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.35 2btd h ARG 111 CO 0.07 0.31 -1.09 -0.44 2.80 0.00 0.00 179.97 181.62 2btd h ASP 112 N 0.48 0.49 0.05 -3.80 5.19 -1.08 -1.31 116.42 116.43 2btd h ASP 112 Ca 0.32 -0.45 -0.00 0.00 -0.62 0.00 0.00 57.03 56.28 2btd h ASP 112 Cb 0.36 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 39.71 2btd h ASP 112 CO -0.28 1.29 -0.03 1.23 -3.12 0.00 0.00 179.24 178.33 2btd h GLY 113 N 1.38 -0.07 0.75 2.75 0.00 -0.76 -0.81 103.07 106.30 2btd h GLY 113 Ca -0.11 0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.28 2btd h GLY 113 CO 0.18 -0.03 0.03 0.00 0.00 0.00 0.00 176.54 176.72 2btd h ALA 114 N 0.87 0.20 -1.00 3.60 0.00 -0.44 -1.59 119.26 120.90 2btd h ALA 114 Ca -0.00 0.04 0.20 0.00 0.00 0.00 0.00 54.91 55.15 2btd h ALA 114 Cb 0.07 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 17.82 2btd h ALA 114 CO 0.00 -0.40 0.61 -0.44 0.00 0.00 0.00 179.25 179.02 2btd h ASP 115 N 0.11 0.72 -0.29 0.00 3.32 -1.13 0.18 116.42 119.32 2btd h ASP 115 Ca 0.09 0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 2btd h ASP 115 Cb 0.10 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2btd h ASP 115 CO -0.13 0.24 -0.00 1.23 -1.72 0.00 0.00 179.24 178.86 2btd h GLY 116 N 0.69 0.55 1.34 2.75 0.00 -0.24 0.12 103.07 108.28 2btd h GLY 116 Ca 0.57 -0.41 -0.16 0.00 0.00 0.00 0.00 47.33 47.34 2btd h GLY 116 CO -0.36 0.38 -0.47 -0.39 0.00 0.00 0.00 176.54 175.70 2btd h VAL 117 N 0.30 1.29 -0.45 4.60 -1.51 -0.43 -0.37 116.25 119.69 2btd h VAL 117 Ca 0.08 -1.67 -0.11 0.00 -1.23 0.00 0.00 66.70 63.77 2btd h VAL 117 Cb 0.43 1.59 -0.01 0.00 -2.13 0.00 0.00 31.29 31.17 2btd h VAL 117 CO 0.02 0.53 -0.16 0.40 -1.23 0.00 0.00 177.57 177.13 2btd h ILE 118 N 0.56 1.27 0.00 7.19 2.04 -0.57 -1.13 117.51 126.88 2btd h ILE 118 Ca 0.03 -1.30 -0.12 0.00 1.00 0.00 0.00 64.86 64.47 2btd h ILE 118 Cb 1.03 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 2btd h ILE 118 CO 0.10 0.44 -0.58 0.77 0.00 0.00 0.00 178.15 178.89 2btd h SER 119 N 0.74 0.00 0.17 1.72 4.64 -0.67 0.25 113.55 120.39 2btd h SER 119 Ca 0.11 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 2btd h SER 119 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2btd h SER 119 CO 0.06 0.58 -0.08 -0.09 -0.87 0.00 0.00 176.83 176.42 2btd h ARG 120 N 0.00 -0.22 -0.01 4.77 1.12 -0.85 -3.37 114.38 115.82 2btd h ARG 120 Ca -0.01 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.88 2btd h ARG 120 Cb 1.12 0.05 0.00 0.00 -0.01 0.00 0.00 29.97 31.13 2btd h ARG 120 CO 0.08 0.20 -0.51 0.41 -3.11 0.00 0.00 179.97 177.04 2btd n GLY 121 N 0.54 -0.10 2.37 2.80 0.00 -0.45 -4.99 105.19 105.36 2btd n GLY 121 Ca -0.08 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 2btd n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2btd n LYS 122 N -0.24 -0.93 -2.50 1.61 5.02 0.89 -4.97 118.16 117.03 2btd n LYS 122 Ca 0.08 0.92 -0.38 0.00 -2.02 0.00 0.00 58.31 56.91 2btd n LYS 122 Cb 0.42 -5.00 -0.04 0.00 -0.02 0.00 0.00 35.03 30.39 2btd n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2btd s ALA 123 N -2.51 3.20 0.20 7.82 0.00 -1.26 -5.05 121.76 124.17 2btd s ALA 123 Ca 0.00 0.79 0.05 0.00 0.00 0.00 0.00 51.96 52.80 2btd s ALA 123 Cb 0.00 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 2btd s ALA 123 CO 0.00 -0.23 0.22 -1.21 0.00 0.00 0.00 175.76 174.55 2btd s GLU 124 N -2.13 3.10 0.17 0.00 2.02 -1.26 -4.92 118.70 115.68 2btd s GLU 124 Ca 0.53 -0.87 -0.33 0.00 0.02 0.00 0.00 54.97 54.32 2btd s GLU 124 Cb -0.26 -2.72 -0.15 0.00 0.10 0.00 0.00 34.13 31.10 2btd s GLU 124 CO 0.33 0.45 1.29 -2.30 0.02 0.00 0.00 175.26 175.05 2btd n PRO 125 N -0.85 1.44 -0.04 0.39 -0.02 -1.26 -1.09 135.00 133.57 2btd n PRO 125 Ca -0.08 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2btd n PRO 125 Cb 0.56 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 2btd n PRO 125 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2btd n GLY 126 N 2.26 1.00 0.10 -1.23 0.00 -1.26 -4.93 105.19 101.13 2btd n GLY 126 Ca 0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.27 2btd n GLY 126 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2btd n ASP 127 N 0.00 0.51 -1.09 1.61 8.00 -0.25 -4.50 116.55 120.82 2btd n ASP 127 Ca 0.00 0.64 0.00 0.00 0.71 0.00 0.00 54.79 56.14 2btd n ASP 127 Cb 0.00 -0.74 0.00 0.00 -0.02 0.00 0.00 41.12 40.36 2btd n ASP 127 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2btd n LYS 128 N -2.07 0.00 -4.38 -1.24 4.81 -1.26 -1.30 118.16 112.72 2btd n LYS 128 Ca 0.02 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.24 2btd n LYS 128 Cb 0.19 -2.20 -0.08 0.00 0.02 0.00 0.00 35.03 32.96 2btd n LYS 128 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 2btd s THR 129 N -2.96 0.22 0.46 3.15 -4.23 -1.26 -4.88 115.64 106.15 2btd s THR 129 Ca 0.00 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.79 2btd s THR 129 Cb 0.00 -2.42 0.48 0.00 1.34 0.00 0.00 72.50 71.90 2btd s THR 129 CO 0.00 0.00 1.74 0.00 -0.54 0.00 0.00 174.62 175.82 2btd h MET 130 N 1.99 0.18 -0.10 3.99 -0.00 -1.93 -0.56 114.93 118.51 2btd h MET 130 Ca -0.29 -0.01 0.03 0.00 -0.00 0.00 0.00 59.70 59.43 2btd h MET 130 Cb 1.25 -0.04 -0.00 0.00 -0.00 0.00 0.00 31.60 32.80 2btd h MET 130 CO 0.44 0.12 0.15 0.00 -0.00 0.00 0.00 176.91 177.62 2btd h ASP 132 N 0.00 0.00 0.05 0.00 3.32 -1.44 -1.44 116.42 116.91 2btd h ASP 132 Ca 0.05 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.73 2btd h ASP 132 Cb 0.34 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 2btd h ASP 132 CO -0.00 0.00 -2.12 0.52 -1.72 0.00 0.00 179.24 175.92 2btd n VAL 133 N -2.40 1.61 -0.19 -1.35 0.31 0.23 -4.48 118.33 112.07 2btd n VAL 133 Ca 0.04 -0.49 -0.03 0.00 -0.01 0.00 0.00 64.34 63.84 2btd n VAL 133 Cb 0.35 -1.70 0.07 0.00 -0.91 0.00 0.00 33.84 31.64 2btd n VAL 133 CO 0.00 0.00 0.00 -0.50 -1.32 0.00 0.00 176.83 175.01 2btd h TRP 134 N -0.27 0.53 0.37 3.52 -0.00 -0.95 -2.01 115.95 117.13 2btd h TRP 134 Ca -0.50 0.02 -0.02 0.00 -0.00 0.00 0.00 58.89 58.39 2btd h TRP 134 Cb 1.82 -0.15 0.00 0.00 -0.00 0.00 0.00 29.16 30.83 2btd h TRP 134 CO 0.04 0.25 -0.18 0.28 -0.00 0.00 0.00 178.44 178.83 2btd h VAL 135 N 0.55 0.64 -0.30 1.49 2.07 -1.52 0.21 116.25 119.40 2btd h VAL 135 Ca 0.25 -0.11 -0.07 0.00 0.82 0.00 0.00 66.70 67.60 2btd h VAL 135 Cb 0.16 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2btd h VAL 135 CO -0.17 0.02 -0.10 1.55 0.02 0.00 0.00 177.57 178.89 2btd h PRO 136 N -0.55 0.49 0.30 1.57 0.13 -1.77 -0.75 132.00 131.41 2btd h PRO 136 Ca -0.05 -0.13 -0.01 0.00 -0.87 0.00 0.00 66.00 64.93 2btd h PRO 136 Cb 0.42 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.49 2btd h PRO 136 CO 0.08 0.59 -0.15 0.28 -0.23 0.00 0.00 178.00 178.58 2btd h VAL 137 N 0.46 0.72 -1.00 1.56 2.07 -1.15 0.14 116.25 119.04 2btd h VAL 137 Ca 0.09 -0.18 0.22 0.00 0.82 0.00 0.00 66.70 67.65 2btd h VAL 137 Cb 0.45 0.82 -0.11 0.00 -1.52 0.00 0.00 31.29 30.93 2btd h VAL 137 CO 0.02 0.04 0.61 0.58 0.02 0.00 0.00 177.57 178.84 2btd h VAL 138 N -0.50 0.63 -0.06 2.57 2.07 -0.42 -1.48 116.25 119.07 2btd h VAL 138 Ca -0.04 -0.23 -0.19 0.00 0.82 0.00 0.00 66.70 67.06 2btd h VAL 138 Cb 0.37 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.04 2btd h VAL 138 CO 0.07 0.12 -0.77 -0.08 0.02 0.00 0.00 177.57 176.93 2btd h GLU 139 N 0.67 0.40 -0.18 1.57 4.57 -0.43 -1.66 114.58 119.52 2btd h GLU 139 Ca 0.61 -0.35 0.01 0.00 -1.18 0.00 0.00 59.36 58.44 2btd h GLU 139 Cb 1.06 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.72 2btd h GLU 139 CO -0.41 1.00 0.10 1.03 -1.18 0.00 0.00 179.01 179.54 2btd h SER 140 N 0.26 0.15 -0.39 1.04 0.87 -0.11 -1.95 113.55 113.42 2btd h SER 140 Ca -0.04 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.47 2btd h SER 140 Cb 1.36 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 63.27 2btd h SER 140 CO 0.13 0.11 0.06 -0.07 -0.53 0.00 0.00 176.83 176.53 2btd h LEU 141 N 0.20 0.70 -0.47 2.23 3.38 -1.01 0.15 115.31 120.49 2btd h LEU 141 Ca 0.07 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2btd h LEU 141 Cb 0.00 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2btd h LEU 141 CO -0.04 0.73 0.27 -0.09 0.09 0.00 0.00 178.44 179.40 2btd h ARG 142 N 0.71 0.65 0.00 1.13 2.43 -1.02 0.11 114.38 118.40 2btd h ARG 142 Ca 0.15 -0.07 -0.16 0.00 -0.81 0.00 0.00 59.98 59.09 2btd h ARG 142 Cb 0.35 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 2btd h ARG 142 CO 0.01 0.50 -0.78 1.96 -1.51 0.00 0.00 179.97 180.15 2btd h GLN 143 N 0.62 0.00 -0.48 0.20 1.08 -0.67 -1.36 115.11 114.50 2btd h GLN 143 Ca 0.17 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.25 2btd h GLN 143 Cb 0.03 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 2btd h GLN 143 CO -0.03 0.78 -0.18 0.77 -0.95 0.00 0.00 178.83 179.23 2btd h SER 144 N 0.00 0.95 -0.71 1.46 0.02 -0.45 -1.70 113.55 113.12 2btd h SER 144 Ca -0.01 -0.33 -0.06 0.00 -0.84 0.00 0.00 61.79 60.55 2btd h SER 144 Cb 1.51 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.76 2btd h SER 144 CO 0.10 1.10 0.21 -1.28 -1.14 0.00 0.00 176.83 175.82 2btd h SER 145 N 0.82 1.06 -0.76 3.07 0.87 -0.66 -2.41 113.55 115.54 2btd h SER 145 Ca 0.12 -0.21 0.08 0.00 -1.23 0.00 0.00 61.79 60.55 2btd h SER 145 Cb 0.73 -0.28 -0.07 0.00 -0.44 0.00 0.00 62.40 62.34 2btd h SER 145 CO 0.06 1.00 0.42 -0.08 -0.53 0.00 0.00 176.83 177.70 2btd h GLU 146 N 1.08 0.72 -0.22 2.24 4.22 -0.83 -1.88 114.58 119.90 2btd h GLU 146 Ca 0.23 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.63 2btd h GLU 146 Cb 0.33 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2btd h GLU 146 CO -0.00 0.47 0.00 1.04 -2.18 0.00 0.00 179.01 178.34 2btd n GLN 147 N -4.77 1.53 -4.15 1.92 6.02 -0.68 -4.93 117.38 112.33 2btd n GLN 147 Ca 0.11 -0.83 -0.29 0.00 -0.01 0.00 0.00 57.00 55.99 2btd n GLN 147 Cb 0.24 -1.20 -0.08 0.00 1.02 0.00 0.00 30.24 30.21 2btd n GLN 147 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2btd n ASN 148 N 0.16 0.58 -4.74 1.08 3.02 -0.71 -4.95 115.26 109.69 2btd n ASN 148 Ca 0.09 -1.16 -0.30 0.00 -0.03 0.00 0.00 54.58 53.17 2btd n ASN 148 Cb 0.20 -1.44 0.12 0.00 -0.61 0.00 0.00 39.78 38.05 2btd n ASN 148 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2btd s LEU 149 N -7.01 2.34 0.62 3.41 1.43 -0.96 -5.03 118.68 113.48 2btd s LEU 149 Ca 0.03 1.41 -0.15 0.00 -1.03 0.00 0.00 54.13 54.40 2btd s LEU 149 Cb -0.02 -3.88 -0.02 0.00 0.03 0.00 0.00 46.19 42.30 2btd s LEU 149 CO 0.91 -2.45 1.06 -0.94 0.23 0.00 0.00 176.35 175.16 2btd s SER 150 N -3.58 5.65 0.18 2.29 1.04 -1.26 -4.84 113.70 113.19 2btd s SER 150 Ca 0.63 1.78 -0.19 0.00 0.48 0.00 0.00 55.95 58.65 2btd s SER 150 Cb -0.17 -2.53 0.12 0.00 0.10 0.00 0.00 66.02 63.55 2btd s SER 150 CO 0.56 -1.26 1.62 0.58 0.98 0.00 0.00 173.24 175.73 2btd h VAL 151 N 0.15 0.35 -0.82 5.02 2.07 -1.96 -1.04 116.25 120.03 2btd h VAL 151 Ca -0.46 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.14 2btd h VAL 151 Cb 1.22 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 2btd h VAL 151 CO 0.57 0.00 0.54 -0.65 0.02 0.00 0.00 177.57 178.05 2btd h PRO 152 N -0.13 0.82 0.20 1.57 0.11 -1.91 0.36 132.00 133.02 2btd h PRO 152 Ca 0.22 -0.05 -0.34 0.00 0.11 0.00 0.00 66.00 65.93 2btd h PRO 152 Cb 0.47 -0.19 0.02 0.00 0.11 0.00 0.00 31.00 31.41 2btd h PRO 152 CO -0.54 0.55 -1.65 -0.39 -0.21 0.00 0.00 178.00 175.76 2btd h VAL 153 N 0.85 1.07 -0.66 3.15 -1.51 -1.76 -1.88 116.25 115.52 2btd h VAL 153 Ca 0.37 -2.61 0.14 0.00 -1.23 0.00 0.00 66.70 63.37 2btd h VAL 153 Cb 0.31 2.85 -0.11 0.00 -2.13 0.00 0.00 31.29 32.22 2btd h VAL 153 CO -0.14 0.84 0.07 0.00 -1.23 0.00 0.00 177.57 177.11 2btd h ALA 154 N 0.18 0.73 -0.06 5.19 0.00 -1.06 -0.67 119.26 123.57 2btd h ALA 154 Ca -0.31 0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 2btd h ALA 154 Cb 2.11 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 20.18 2btd h ALA 154 CO 0.21 -0.37 -0.48 -0.07 0.00 0.00 0.00 179.25 178.54 2btd h LEU 155 N 0.17 0.15 -0.61 0.00 3.38 -0.21 0.94 115.31 119.13 2btd h LEU 155 Ca 0.35 -0.07 -0.14 0.00 0.09 0.00 0.00 57.88 58.12 2btd h LEU 155 Cb 0.58 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2btd h LEU 155 CO -0.52 0.61 -0.65 -0.08 0.09 0.00 0.00 178.44 177.88 2btd h GLU 156 N 0.11 0.00 0.04 1.13 4.57 -1.05 -0.90 114.58 118.48 2btd h GLU 156 Ca 0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2btd h GLU 156 Cb 0.89 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.48 2btd h GLU 156 CO 0.07 0.65 -0.02 0.00 -1.18 0.00 0.00 179.01 178.53 2btd h ALA 157 N 1.35 -0.05 -1.04 2.92 0.00 -0.52 -2.71 119.26 119.20 2btd h ALA 157 Ca -0.01 -0.32 0.27 0.00 0.00 0.00 0.00 54.91 54.86 2btd h ALA 157 Cb 1.21 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 2btd h ALA 157 CO 0.09 -0.18 0.68 0.00 0.00 0.00 0.00 179.25 179.84 2btd h ALA 158 N 0.13 2.35 -0.18 0.00 0.00 -0.84 -2.06 119.26 118.65 2btd h ALA 158 Ca -0.01 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2btd h ALA 158 Cb 0.65 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2btd h ALA 158 CO 0.01 -0.73 -0.20 1.03 0.00 0.00 0.00 179.25 179.36 2btd h SER 159 N 0.34 0.49 0.88 0.00 0.87 -1.03 -1.14 113.55 113.96 2btd h SER 159 Ca 0.58 -0.49 -0.16 0.00 -1.23 0.00 0.00 61.79 60.49 2btd h SER 159 Cb 1.57 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 63.37 2btd h SER 159 CO -0.25 0.88 -0.76 0.77 -0.53 0.00 0.00 176.83 176.95 2btd h SER 160 N 0.12 0.00 -0.65 6.23 4.64 -1.09 -2.26 113.55 120.53 2btd h SER 160 Ca 0.03 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.38 2btd h SER 160 Cb 0.75 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.79 2btd h SER 160 CO 0.05 0.76 0.40 0.40 -0.87 0.00 0.00 176.83 177.57 2btd h ILE 161 N 0.00 1.07 -0.88 0.95 2.04 -1.42 -1.50 117.51 117.77 2btd h ILE 161 Ca -0.01 -0.27 0.18 0.00 1.00 0.00 0.00 64.86 65.76 2btd h ILE 161 Cb 1.40 0.22 -0.11 0.00 -0.74 0.00 0.00 36.82 37.60 2btd h ILE 161 CO 0.10 0.14 0.44 0.00 0.00 0.00 0.00 178.15 178.83 2btd h ALA 162 N 1.29 1.36 0.23 1.87 0.00 -0.83 0.15 119.26 123.33 2btd h ALA 162 Ca 0.27 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 2btd h ALA 162 Cb 0.04 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2btd h ALA 162 CO -0.12 -0.18 -0.11 0.93 0.00 0.00 0.00 179.25 179.78 2btd h GLU 163 N 0.56 -0.29 -0.89 0.00 5.08 -0.83 -1.55 114.58 116.66 2btd h GLU 163 Ca 0.51 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.98 2btd h GLU 163 Cb 0.82 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 30.06 2btd h GLU 163 CO -0.42 -0.06 0.53 0.77 -1.00 0.00 0.00 179.01 178.83 2btd h SER 164 N -0.49 0.79 0.38 1.42 0.02 -0.96 -1.25 113.55 113.47 2btd h SER 164 Ca -0.03 0.04 -0.16 0.00 -0.84 0.00 0.00 61.79 60.80 2btd h SER 164 Cb 0.37 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2btd h SER 164 CO 0.05 0.45 -0.67 0.00 -1.14 0.00 0.00 176.83 175.52 2btd h ALA 165 N 1.47 0.75 -0.12 3.77 0.00 -0.55 0.12 119.26 124.70 2btd h ALA 165 Ca 0.42 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2btd h ALA 165 Cb 0.35 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2btd h ALA 165 CO -0.24 0.77 -0.07 0.00 0.00 0.00 0.00 179.25 179.72 2btd h ALA 166 N 1.11 0.16 -0.57 0.00 0.00 -0.87 -2.94 119.26 116.16 2btd h ALA 166 Ca -0.02 -0.27 0.11 0.00 0.00 0.00 0.00 54.91 54.73 2btd h ALA 166 Cb 1.21 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 2btd h ALA 166 CO 0.11 -0.04 0.11 0.37 0.00 0.00 0.00 179.25 179.80 2btd h GLN 167 N -0.11 0.24 0.00 0.00 4.15 -0.94 -0.97 115.11 117.48 2btd h GLN 167 Ca 0.02 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.43 2btd h GLN 167 Cb 0.54 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.17 2btd h GLN 167 CO 0.02 0.16 0.00 -1.13 -1.93 0.00 0.00 178.83 175.95 2btd n SER 168 N -5.13 0.57 0.08 -0.69 3.41 0.39 -1.19 113.62 111.07 2btd n SER 168 Ca 0.08 0.75 0.13 0.00 -0.26 0.00 0.00 58.87 59.57 2btd n SER 168 Cb 0.30 -0.83 0.46 0.00 -0.26 0.00 0.00 64.21 63.88 2btd n SER 168 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2btd n THR 169 N -2.26 0.45 0.06 6.66 -2.24 -0.37 -3.60 114.28 112.99 2btd n THR 169 Ca -0.01 -0.22 0.05 0.00 -2.27 0.00 0.00 64.05 61.60 2btd n THR 169 Cb 0.06 -0.57 0.47 0.00 -2.10 0.00 0.00 70.33 68.19 2btd n THR 169 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 2btd h ILE 170 N 0.00 1.09 0.00 2.28 -0.00 -1.27 -2.57 117.51 117.04 2btd h ILE 170 Ca 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 64.86 64.68 2btd h ILE 170 Cb 0.68 0.65 0.00 0.00 -0.00 0.00 0.00 36.82 38.15 2btd h ILE 170 CO 0.00 0.09 -0.73 0.74 -0.00 0.00 0.00 178.15 178.25 2btd h THR 171 N 0.42 0.00 -4.10 0.16 2.02 -1.77 0.22 112.91 109.85 2btd h THR 171 Ca 0.11 -0.79 -0.47 0.00 0.77 0.00 0.00 66.41 66.03 2btd h THR 171 Cb -0.03 1.39 0.02 0.00 -1.74 0.00 0.00 68.15 67.79 2btd h THR 171 CO -0.02 0.00 0.37 -0.04 0.37 0.00 0.00 175.52 176.20 2btd s MET 172 N -3.27 3.86 -0.06 6.66 -1.94 -0.97 -4.69 119.30 118.89 2btd s MET 172 Ca 0.03 1.23 -0.14 0.00 -1.71 0.00 0.00 55.69 55.10 2btd s MET 172 Cb 0.11 -2.11 -0.05 0.00 2.01 0.00 0.00 34.83 34.78 2btd s MET 172 CO 0.75 -0.37 0.35 -1.14 -0.01 0.00 0.00 175.02 174.60 2btd s GLN 173 N -3.45 3.94 -0.05 2.03 0.74 -1.26 -4.15 119.66 117.47 2btd s GLN 173 Ca 0.64 0.27 -0.30 0.00 0.05 0.00 0.00 55.36 56.03 2btd s GLN 173 Cb -0.14 -3.27 -0.04 0.00 1.10 0.00 0.00 33.01 30.66 2btd s GLN 173 CO 0.22 0.57 1.38 0.00 -0.55 0.00 0.00 175.29 176.91 2btd s ALA 174 N -0.63 3.59 -2.30 1.58 0.00 -1.26 -4.41 121.76 118.32 2btd s ALA 174 Ca 0.21 0.77 0.21 0.00 0.00 0.00 0.00 51.96 53.15 2btd s ALA 174 Cb -0.15 -3.61 0.10 0.00 0.00 0.00 0.00 23.12 19.46 2btd s ALA 174 CO 0.10 -1.00 1.10 0.54 0.00 0.00 0.00 175.76 176.49 2btd n ARG 175 N 5.80 1.72 -3.99 0.00 5.12 -0.42 -4.19 116.66 120.70 2btd n ARG 175 Ca 0.13 -1.42 -0.11 0.00 -1.93 0.00 0.00 57.85 54.52 2btd n ARG 175 Cb 0.44 -1.40 -0.12 0.00 -1.16 0.00 0.00 32.46 30.22 2btd n ARG 175 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2btd s LYS 176 N -1.95 0.31 0.93 5.56 -0.14 -1.25 -4.90 119.74 118.29 2btd s LYS 176 Ca 0.21 -0.48 0.00 0.00 -1.36 0.00 0.00 55.97 54.34 2btd s LYS 176 Cb 0.17 -0.05 0.00 0.00 -1.68 0.00 0.00 37.83 36.27 2btd s LYS 176 CO 0.36 -0.00 0.00 0.41 -0.76 0.00 0.00 175.35 175.36 2btd n GLY 177 N 2.00 -1.70 0.37 -3.33 0.00 -1.26 -3.59 105.19 97.68 2btd n GLY 177 Ca -0.20 -1.23 0.19 0.00 0.00 0.00 0.00 46.02 44.78 2btd n GLY 177 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2btd h ARG 178 N 0.00 0.00 0.00 1.61 3.08 -1.99 -0.63 114.38 116.45 2btd h ARG 178 Ca 0.01 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 2btd h ARG 178 Cb 0.41 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 2btd h ARG 178 CO 0.00 0.00 -0.54 0.00 -1.07 0.00 0.00 179.97 178.36 2btd h ALA 179 N 1.49 1.04 0.00 0.04 0.00 -1.69 -2.14 119.26 118.00 2btd h ALA 179 Ca 0.13 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 2btd h ALA 179 Cb 0.91 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2btd h ALA 179 CO -0.00 0.68 -0.11 0.66 0.00 0.00 0.00 179.25 180.48 2btd h SER 180 N 0.00 0.00 0.00 0.00 4.64 -1.16 -1.52 113.55 115.51 2btd h SER 180 Ca -0.01 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2btd h SER 180 Cb 1.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2btd h SER 180 CO 0.07 0.11 -0.00 1.88 -0.87 0.00 0.00 176.83 178.02 2btd h TYR 181 N 0.00 0.00 -0.00 4.77 0.99 -1.50 0.82 116.97 122.05 2btd h TYR 181 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2btd h TYR 181 Cb 0.28 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.01 2btd h TYR 181 CO 0.00 0.00 -0.14 1.28 -0.00 0.00 0.00 178.16 179.30 2btd n LEU 182 N -3.68 0.54 0.00 3.88 4.77 -0.57 -5.00 117.00 116.94 2btd n LEU 182 Ca -0.03 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2btd n LEU 182 Cb 0.08 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2btd n LEU 182 CO 0.26 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2btd n GLY 183 N 1.30 2.38 0.17 -0.72 0.00 0.28 -1.34 105.19 107.26 2btd n GLY 183 Ca 0.13 0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.47 2btd n GLY 183 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2btd h GLU 184 N 0.00 0.00 -0.00 1.61 5.08 -1.94 -1.09 114.58 118.24 2btd h GLU 184 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2btd h GLU 184 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2btd h GLU 184 CO 0.00 0.00 -0.02 0.54 -1.00 0.00 0.00 179.01 178.53 2btd n ARG 185 N -2.35 0.23 0.19 2.33 1.74 -0.45 -2.69 116.66 115.66 2btd n ARG 185 Ca -0.01 -0.01 0.13 0.00 -0.77 0.00 0.00 57.85 57.19 2btd n ARG 185 Cb 0.09 -1.50 0.31 0.00 -1.02 0.00 0.00 32.46 30.34 2btd n ARG 185 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2btd h SER 186 N 0.03 0.00 -3.40 0.55 4.64 -1.33 -3.45 113.55 110.59 2btd h SER 186 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 2btd h SER 186 Cb 0.39 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.51 2btd h SER 186 CO 0.00 0.00 0.63 -0.63 -0.87 0.00 0.00 176.83 175.96 2btd s ILE 187 N -3.23 3.32 0.00 0.95 1.01 -1.10 -2.96 121.20 119.19 2btd s ILE 187 Ca 0.07 1.08 0.00 0.00 0.00 0.00 0.00 60.65 61.80 2btd s ILE 187 Cb 0.08 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.86 2btd s ILE 187 CO 0.62 0.16 0.00 0.61 0.00 0.00 0.00 174.94 176.33 2btd n GLY 188 N 2.36 0.58 2.97 6.18 0.00 0.71 -5.01 105.19 112.98 2btd n GLY 188 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 2btd n GLY 188 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2btd s HIS 189 N -2.00 1.15 0.25 1.61 3.76 -0.91 -4.95 115.29 114.20 2btd s HIS 189 Ca 0.00 -0.39 -0.30 0.00 -0.15 0.00 0.00 55.06 54.21 2btd s HIS 189 Cb 0.00 -0.89 -0.11 0.00 1.11 0.00 0.00 32.58 32.69 2btd s HIS 189 CO 0.00 -0.24 1.53 -1.14 -0.85 0.00 0.00 174.74 174.04 2btd s GLN 190 N 0.75 4.20 0.14 1.40 0.74 -1.26 -4.19 119.66 121.45 2btd s GLN 190 Ca -0.13 2.42 -0.31 0.00 0.05 0.00 0.00 55.36 57.39 2btd s GLN 190 Cb -0.15 -3.09 -0.09 0.00 1.10 0.00 0.00 33.01 30.78 2btd s GLN 190 CO 0.02 -0.54 1.48 0.34 -0.55 0.00 0.00 175.29 176.04 2btd s ASP 191 N 0.58 6.71 0.08 6.67 2.15 -1.26 -4.88 116.67 126.72 2btd s ASP 191 Ca 0.63 2.47 -0.35 0.00 0.43 0.00 0.00 52.55 55.73 2btd s ASP 191 Cb -0.45 -2.59 -0.17 0.00 -0.30 0.00 0.00 42.92 39.41 2btd s ASP 191 CO 0.42 -0.74 1.58 -0.65 -0.17 0.00 0.00 175.17 175.61 2btd h PRO 192 N 6.82 -0.98 -0.61 4.34 0.11 -1.90 -1.93 132.00 137.86 2btd h PRO 192 Ca -0.42 0.07 0.12 0.00 0.11 0.00 0.00 66.00 65.87 2btd h PRO 192 Cb 1.21 0.22 -0.09 0.00 0.11 0.00 0.00 31.00 32.45 2btd h PRO 192 CO 0.89 -0.65 0.09 0.78 -0.21 0.00 0.00 178.00 178.89 2btd h GLY 193 N -1.02 0.74 1.88 -0.55 0.00 -1.94 0.48 103.07 102.66 2btd h GLY 193 Ca -0.07 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 2btd h GLY 193 CO 0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 176.54 176.30 2btd h ALA 194 N 1.51 1.67 -0.33 3.60 0.00 -1.77 -1.65 119.26 122.29 2btd h ALA 194 Ca 0.32 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.91 2btd h ALA 194 Cb 0.50 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2btd h ALA 194 CO -0.45 0.25 -0.47 1.15 0.00 0.00 0.00 179.25 179.73 2btd h THR 195 N 0.14 1.27 -0.50 0.00 2.02 0.69 -2.04 112.91 114.50 2btd h THR 195 Ca 0.03 -1.65 0.08 0.00 0.77 0.00 0.00 66.41 65.64 2btd h THR 195 Cb 0.26 1.53 -0.06 0.00 -1.74 0.00 0.00 68.15 68.13 2btd h THR 195 CO 0.01 0.54 0.14 0.28 0.37 0.00 0.00 175.52 176.87 2btd h SER 196 N 0.70 0.08 -0.90 4.18 0.02 -0.42 0.21 113.55 117.43 2btd h SER 196 Ca 0.03 0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 2btd h SER 196 Cb 1.07 0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.66 2btd h SER 196 CO 0.11 0.07 0.59 0.58 -1.14 0.00 0.00 176.83 177.04 2btd h VAL 197 N 0.29 1.24 -0.40 2.27 2.07 -1.21 0.14 116.25 120.65 2btd h VAL 197 Ca 0.25 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 2btd h VAL 197 Cb 0.31 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 2btd h VAL 197 CO -0.29 0.23 0.16 -0.03 0.02 0.00 0.00 177.57 177.66 2btd h MET 198 N 1.23 0.60 -0.01 1.57 -1.53 -0.53 -0.85 114.93 115.42 2btd h MET 198 Ca 0.33 -0.11 0.02 0.00 -3.44 0.00 0.00 59.70 56.50 2btd h MET 198 Cb -0.13 -0.10 -0.02 0.00 -0.55 0.00 0.00 31.60 30.81 2btd h MET 198 CO -0.07 0.56 -0.08 0.74 0.14 0.00 0.00 176.91 178.20 2btd h PHE 199 N 0.50 -0.21 -0.94 1.39 0.04 0.23 -1.16 116.94 116.78 2btd h PHE 199 Ca 0.13 0.01 0.17 0.00 2.80 0.00 0.00 57.97 61.08 2btd h PHE 199 Cb 0.19 0.09 -0.10 0.00 2.20 0.00 0.00 35.95 38.33 2btd h PHE 199 CO -0.00 -0.13 0.54 0.52 -0.60 0.00 0.00 178.31 178.64 2btd h MET 200 N -0.14 0.70 -0.00 1.51 2.86 -0.49 -1.50 114.93 117.87 2btd h MET 200 Ca 0.04 -0.04 -0.17 0.00 -2.06 0.00 0.00 59.70 57.46 2btd h MET 200 Cb 0.19 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 2btd h MET 200 CO -0.09 0.46 -0.80 0.52 1.06 0.00 0.00 176.91 178.06 2btd h MET 201 N 0.72 0.08 -0.53 1.72 2.86 -0.65 -0.36 114.93 118.76 2btd h MET 201 Ca 0.53 -0.08 -0.09 0.00 -2.06 0.00 0.00 59.70 58.01 2btd h MET 201 Cb 0.79 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.45 2btd h MET 201 CO -0.37 0.83 -0.00 1.96 1.06 0.00 0.00 176.91 180.39 2btd h GLN 202 N 0.05 0.94 -0.23 1.72 4.20 -0.74 -0.40 115.11 120.64 2btd h GLN 202 Ca -0.02 -0.30 -0.12 0.00 0.06 0.00 0.00 58.65 58.27 2btd h GLN 202 Cb 1.40 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.08 2btd h GLN 202 CO 0.11 0.96 -0.37 0.52 -0.67 0.00 0.00 178.83 179.38 2btd h MET 203 N 0.82 0.52 -0.29 1.46 2.86 -1.15 -1.92 114.93 117.23 2btd h MET 203 Ca 0.15 -0.25 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2btd h MET 203 Cb 0.53 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 2btd h MET 203 CO 0.03 0.81 0.17 1.25 1.06 0.00 0.00 176.91 180.23 2btd h LEU 204 N 0.44 0.35 -0.36 1.22 6.46 -0.91 0.29 115.31 122.80 2btd h LEU 204 Ca 0.04 -0.06 0.05 0.00 -0.12 0.00 0.00 57.88 57.79 2btd h LEU 204 Cb 0.84 -0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 40.64 2btd h LEU 204 CO 0.07 0.31 0.09 0.00 -0.62 0.00 0.00 178.44 178.30 2btd h ALA 205 N 1.05 0.40 0.69 1.25 0.00 -0.86 -2.40 119.26 119.41 2btd h ALA 205 Ca 0.10 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2btd h ALA 205 Cb 0.03 0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.89 2btd h ALA 205 CO -0.02 -0.31 -0.33 1.25 0.00 0.00 0.00 179.25 179.84 2btd h LEU 206 N 0.23 -0.79 -1.44 0.00 5.85 -1.16 -1.98 115.31 116.01 2btd h LEU 206 Ca 0.17 0.03 0.46 0.00 0.84 0.00 0.00 57.88 59.38 2btd h LEU 206 Cb 0.18 0.20 -0.10 0.00 0.37 0.00 0.00 40.66 41.31 2btd h LEU 206 CO -0.20 -0.55 0.98 0.00 -0.34 0.00 0.00 178.44 178.32 2btd n ALA 207 N -2.48 1.41 0.94 1.25 0.00 0.99 0.19 120.51 122.81 2btd n ALA 207 Ca -0.12 0.70 0.11 0.00 0.00 0.00 0.00 53.44 54.13 2btd n ALA 207 Cb 0.37 -0.97 0.03 0.00 0.00 0.00 0.00 19.45 18.88 2btd n ALA 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2btd n ALA 208 N -2.65 3.08 -1.76 0.00 0.00 -0.90 -4.82 120.51 113.46 2btd n ALA 208 Ca 0.37 -0.65 -0.39 0.00 0.00 0.00 0.00 53.44 52.78 2btd n ALA 208 Cb 1.56 -0.75 0.02 0.00 0.00 0.00 0.00 19.45 20.28 2btd n ALA 208 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2btd s LYS 209 N -2.17 3.48 0.00 0.00 2.20 0.13 -4.58 119.74 118.80 2btd s LYS 209 Ca 0.21 2.28 0.00 0.00 -0.36 0.00 0.00 55.97 58.10 2btd s LYS 209 Cb 0.18 -2.48 0.00 0.00 -1.51 0.00 0.00 37.83 34.02 2btd s LYS 209 CO 0.44 -0.94 0.42 -1.91 -0.36 0.00 0.00 175.35 173.00