#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bng h GLU 13 N 0.00 0.03 0.45 0.54 4.81 -1.99 -1.41 114.58 117.02 2bng h GLU 13 Ca 0.00 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 2bng h GLU 13 Cb 0.00 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2bng h GLU 13 CO 0.00 0.18 -0.22 1.15 -0.73 0.00 0.00 179.01 179.39 2bng h THR 14 N 0.03 0.55 -0.98 0.32 2.02 -2.00 -1.75 112.91 111.11 2bng h THR 14 Ca 0.01 -0.18 0.04 0.00 0.77 0.00 0.00 66.41 67.05 2bng h THR 14 Cb 0.28 0.63 -0.06 0.00 -1.74 0.00 0.00 68.15 67.26 2bng h THR 14 CO 0.02 0.03 0.64 0.74 0.37 0.00 0.00 175.52 177.32 2bng h THR 15 N -0.71 1.15 0.09 3.16 2.02 -1.87 -1.59 112.91 115.16 2bng h THR 15 Ca -0.06 -0.42 -0.00 0.00 0.77 0.00 0.00 66.41 66.70 2bng h THR 15 Cb 0.52 -0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 2bng h THR 15 CO 0.10 0.22 -0.05 -0.08 0.37 0.00 0.00 175.52 176.09 2bng h GLU 16 N 1.21 -0.12 -0.59 6.66 4.81 -1.20 -1.28 114.58 124.08 2bng h GLU 16 Ca 0.40 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.68 2bng h GLU 16 Cb 0.05 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.41 2bng h GLU 16 CO -0.13 -0.03 0.33 0.00 -0.73 0.00 0.00 179.01 178.45 2bng h ALA 17 N 0.72 0.76 -0.21 2.92 0.00 -0.91 -1.08 119.26 121.46 2bng h ALA 17 Ca -0.01 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2bng h ALA 17 Cb 0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2bng h ALA 17 CO 0.02 0.02 0.10 0.82 0.00 0.00 0.00 179.25 180.22 2bng h ILE 18 N 0.63 1.00 -0.53 0.00 2.04 -1.16 -2.44 117.51 117.05 2bng h ILE 18 Ca 0.25 -0.08 -0.08 0.00 1.00 0.00 0.00 64.86 65.96 2bng h ILE 18 Cb 0.11 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 2bng h ILE 18 CO -0.14 0.04 0.02 0.03 0.00 0.00 0.00 178.15 178.09 2bng h ARG 19 N 0.23 0.88 -0.70 2.37 3.08 -0.86 -0.58 114.38 118.78 2bng h ARG 19 Ca 0.09 -0.24 0.02 0.00 0.07 0.00 0.00 59.98 59.92 2bng h ARG 19 Cb 0.02 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 2bng h ARG 19 CO -0.06 0.87 0.45 0.00 -1.07 0.00 0.00 179.97 180.16 2bng h ALA 20 N 1.19 0.91 -0.35 0.04 0.00 -1.02 0.30 119.26 120.34 2bng h ALA 20 Ca 0.16 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 2bng h ALA 20 Cb 0.47 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2bng h ALA 20 CO 0.02 0.25 -0.10 0.28 0.00 0.00 0.00 179.25 179.70 2bng h VAL 21 N 0.89 1.28 -0.20 0.00 2.07 -0.93 -0.38 116.25 118.98 2bng h VAL 21 Ca 0.28 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 2bng h VAL 21 Cb -0.02 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2bng h VAL 21 CO -0.09 0.38 0.07 -0.33 0.02 0.00 0.00 177.57 177.62 2bng h GLU 22 N 0.47 0.30 -0.86 1.57 5.08 -0.91 -0.87 114.58 119.35 2bng h GLU 22 Ca 0.09 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.43 2bng h GLU 22 Cb 0.61 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 2bng h GLU 22 CO 0.04 0.38 0.55 0.00 -1.00 0.00 0.00 179.01 178.98 2bng h ALA 23 N 0.91 1.15 -0.29 3.43 0.00 -0.39 -0.94 119.26 123.14 2bng h ALA 23 Ca 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2bng h ALA 23 Cb 0.20 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2bng h ALA 23 CO -0.00 0.36 0.12 0.35 0.00 0.00 0.00 179.25 180.07 2bng h PHE 24 N 1.05 0.44 -0.08 0.00 3.57 -0.68 -1.20 116.94 120.03 2bng h PHE 24 Ca 0.35 -0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.66 2bng h PHE 24 Cb 0.06 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 2bng h PHE 24 CO -0.02 0.43 -0.67 -0.07 -2.23 0.00 0.00 178.31 175.75 2bng h LEU 25 N 0.31 0.40 -0.79 0.59 3.38 -0.84 -1.68 115.31 116.68 2bng h LEU 25 Ca 0.10 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 2bng h LEU 25 Cb 0.18 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2bng h LEU 25 CO -0.01 0.95 0.07 0.78 0.09 0.00 0.00 178.44 180.32 2bng h ASN 26 N 0.24 0.94 -0.34 -0.43 2.35 -1.17 -2.39 115.58 114.79 2bng h ASN 26 Ca -0.02 -0.23 -0.02 0.00 -0.55 0.00 0.00 56.30 55.49 2bng h ASN 26 Cb 1.22 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 39.32 2bng h ASN 26 CO 0.11 0.96 0.14 0.00 -1.65 0.00 0.00 177.43 177.00 2bng h ALA 27 N 1.14 0.44 -0.13 -0.83 0.00 -0.87 0.14 119.26 119.16 2bng h ALA 27 Ca 0.18 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2bng h ALA 27 Cb 0.44 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 2bng h ALA 27 CO 0.02 0.04 -0.18 -0.07 0.00 0.00 0.00 179.25 179.05 2bng h LEU 28 N 0.41 -0.56 -1.23 0.00 3.38 -1.22 -0.13 115.31 115.96 2bng h LEU 28 Ca 0.11 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 2bng h LEU 28 Cb 0.17 0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 2bng h LEU 28 CO -0.01 -0.23 0.31 -0.61 0.09 0.00 0.00 178.44 177.99 2bng h GLN 29 N -0.23 0.83 -0.14 1.13 4.15 -1.21 -2.82 115.11 116.82 2bng h GLN 29 Ca 0.10 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2bng h GLN 29 Cb 0.37 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.90 2bng h GLN 29 CO -0.27 0.63 0.00 0.09 -1.93 0.00 0.00 178.83 177.36 2bng n ASN 30 N -4.37 1.93 -3.32 -0.69 3.02 0.48 -4.72 115.26 107.59 2bng n ASN 30 Ca 0.05 -1.71 -0.24 0.00 -0.03 0.00 0.00 54.58 52.66 2bng n ASN 30 Cb 0.11 -0.09 0.03 0.00 -0.61 0.00 0.00 39.78 39.23 2bng n ASN 30 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2bng n GLU 31 N 0.50 -4.97 -3.11 3.52 1.02 -0.17 -4.92 120.64 112.52 2bng n GLU 31 Ca 0.17 0.74 -0.45 0.00 -0.02 0.00 0.00 57.16 57.60 2bng n GLU 31 Cb 0.39 -5.59 -0.01 0.00 -0.02 0.00 0.00 31.44 26.22 2bng n GLU 31 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2bng s ASP 32 N -2.87 7.03 0.45 1.62 2.15 -0.57 -4.87 116.67 119.61 2bng s ASP 32 Ca 0.42 -2.97 0.25 0.00 0.43 0.00 0.00 52.55 50.68 2bng s ASP 32 Cb -0.20 -2.32 0.61 0.00 -0.30 0.00 0.00 42.92 40.71 2bng s ASP 32 CO 0.52 -0.64 1.70 -0.26 -0.17 0.00 0.00 175.17 176.32 2bng h PHE 33 N 7.38 0.00 -0.45 -5.34 0.04 -1.91 -2.32 116.94 114.33 2bng h PHE 33 Ca 0.22 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.85 2bng h PHE 33 Cb 0.92 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.06 2bng h PHE 33 CO 1.00 0.07 -0.27 -0.44 -0.60 0.00 0.00 178.31 178.08 2bng h ASP 34 N 0.00 1.01 -0.40 2.17 3.45 -1.98 -0.98 116.42 119.68 2bng h ASP 34 Ca -0.00 -0.42 -0.02 0.00 0.43 0.00 0.00 57.03 57.02 2bng h ASP 34 Cb 0.90 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 39.37 2bng h ASP 34 CO 0.01 1.21 0.18 0.74 -1.57 0.00 0.00 179.24 179.81 2bng h THR 35 N 0.82 1.19 -0.50 0.35 2.02 -1.91 -0.62 112.91 114.26 2bng h THR 35 Ca 0.09 -0.55 0.10 0.00 0.77 0.00 0.00 66.41 66.82 2bng h THR 35 Cb 0.85 0.80 -0.09 0.00 -1.74 0.00 0.00 68.15 67.98 2bng h THR 35 CO 0.08 0.20 -0.06 0.58 0.37 0.00 0.00 175.52 176.69 2bng h VAL 36 N 0.51 0.55 -0.01 3.16 2.07 -1.35 0.92 116.25 122.11 2bng h VAL 36 Ca 0.14 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.67 2bng h VAL 36 Cb 0.16 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 2bng h VAL 36 CO -0.01 0.01 -0.22 0.44 0.02 0.00 0.00 177.57 177.81 2bng h ASP 37 N 0.06 -0.64 -0.57 0.57 3.32 -0.82 -2.74 116.42 115.60 2bng h ASP 37 Ca 0.25 0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.43 2bng h ASP 37 Cb 0.38 0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.17 2bng h ASP 37 CO -0.46 -0.28 0.38 0.00 -1.72 0.00 0.00 179.24 177.15 2bng h ALA 38 N 0.54 1.73 0.00 3.45 0.00 -0.71 -2.99 119.26 121.28 2bng h ALA 38 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2bng h ALA 38 Cb 0.42 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2bng h ALA 38 CO -0.20 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.25 2bng h ALA 39 N 1.67 1.00 -3.05 0.00 0.00 -0.54 -3.45 119.26 114.90 2bng h ALA 39 Ca 0.23 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.53 2bng h ALA 39 Cb 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.77 2bng h ALA 39 CO -0.06 0.00 -0.44 -0.51 0.00 0.00 0.00 179.25 178.24 2bng s LEU 40 N -5.86 4.13 0.53 0.00 1.43 -1.10 -0.13 118.68 117.69 2bng s LEU 40 Ca 0.06 0.21 -0.20 0.00 -1.03 0.00 0.00 54.13 53.17 2bng s LEU 40 Cb 0.07 -2.19 -0.06 0.00 0.03 0.00 0.00 46.19 44.04 2bng s LEU 40 CO 0.62 0.04 1.12 -0.83 0.23 0.00 0.00 176.35 177.53 2bng s GLY 41 N 1.01 2.64 0.29 -3.19 0.00 0.62 -4.80 107.32 103.89 2bng s GLY 41 Ca 0.10 0.81 0.02 0.00 0.00 0.00 0.00 44.72 45.65 2bng s GLY 41 CO 0.05 1.18 1.85 -0.55 0.00 0.00 0.00 173.10 175.62 2bng h ASP 42 N 1.29 0.90 -0.79 1.64 3.45 -1.95 -1.70 116.42 119.27 2bng h ASP 42 Ca -0.50 0.04 -0.34 0.00 0.43 0.00 0.00 57.03 56.66 2bng h ASP 42 Cb 1.26 -0.14 -0.20 0.00 -0.56 0.00 0.00 39.33 39.68 2bng h ASP 42 CO 0.57 0.49 0.43 0.47 -1.57 0.00 0.00 179.24 179.64 2bng n ASP 43 N -4.59 4.06 -4.62 6.45 10.43 -1.26 -1.93 116.55 125.09 2bng n ASP 43 Ca 0.18 -3.27 -0.49 0.00 2.57 0.00 0.00 54.79 53.78 2bng n ASP 43 Cb 0.35 -0.77 -0.05 0.00 1.84 0.00 0.00 41.12 42.49 2bng n ASP 43 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 2bng n LEU 44 N -0.57 2.22 -4.57 0.64 7.94 -0.69 -4.66 117.00 117.32 2bng n LEU 44 Ca 0.46 1.11 -0.34 0.00 -1.11 0.00 0.00 56.01 56.12 2bng n LEU 44 Cb 1.43 -1.29 -0.11 0.00 0.53 0.00 0.00 43.42 43.98 2bng n LEU 44 CO 0.48 -0.76 -0.29 0.68 -1.11 0.00 0.00 177.39 176.38 2bng s VAL 45 N 0.59 4.42 -0.21 1.96 -7.23 -0.57 0.31 120.40 119.67 2bng s VAL 45 Ca 0.81 -0.16 0.01 0.00 -1.81 0.00 0.00 61.98 60.83 2bng s VAL 45 Cb -0.84 -2.98 0.04 0.00 0.56 0.00 0.00 36.38 33.16 2bng s VAL 45 CO 0.44 0.46 -0.10 -0.47 -0.31 0.00 0.00 175.10 175.11 2bng s TYR 46 N 0.49 2.50 -0.09 2.82 5.04 -0.14 -0.59 117.35 127.38 2bng s TYR 46 Ca 0.01 -1.67 0.03 0.00 -2.44 0.00 0.00 57.07 53.01 2bng s TYR 46 Cb -0.13 -1.67 0.00 0.00 0.35 0.00 0.00 41.96 40.51 2bng s TYR 46 CO 0.02 -0.76 -0.21 -1.21 -1.34 0.00 0.00 175.55 172.05 2bng s GLU 47 N 1.37 2.67 -0.46 4.97 2.02 0.15 -1.03 118.70 128.38 2bng s GLU 47 Ca -0.02 -0.75 -0.17 0.00 0.02 0.00 0.00 54.97 54.05 2bng s GLU 47 Cb -0.17 -2.05 0.04 0.00 0.10 0.00 0.00 34.13 32.06 2bng s GLU 47 CO -0.08 0.13 0.48 -0.80 0.02 0.00 0.00 175.26 175.02 2bng s ASN 48 N 0.44 6.19 0.15 -0.19 0.01 -0.52 -1.02 114.94 120.01 2bng s ASN 48 Ca -0.17 -0.88 -0.31 0.00 -0.71 0.00 0.00 52.86 50.78 2bng s ASN 48 Cb -0.17 -2.23 -0.11 0.00 0.41 0.00 0.00 41.25 39.15 2bng s ASN 48 CO 0.07 -0.69 1.74 0.54 -1.51 0.00 0.00 177.10 177.25 2bng s VAL 49 N 2.18 2.44 0.00 1.60 0.11 -0.16 -0.19 120.40 126.39 2bng s VAL 49 Ca 0.11 0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.31 2bng s VAL 49 Cb -0.19 -3.10 0.00 0.00 -1.53 0.00 0.00 36.38 31.56 2bng s VAL 49 CO 0.12 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.50 2bng n GLY 50 N 4.05 1.38 0.41 6.54 0.00 -1.26 -4.84 105.19 111.47 2bng n GLY 50 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2bng n GLY 50 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2bng n PHE 51 N -2.00 0.00 -3.68 1.61 3.72 0.74 -5.12 117.46 112.73 2bng n PHE 51 Ca 0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.26 2bng n PHE 51 Cb 0.00 0.05 -0.08 0.00 -0.94 0.00 0.00 39.48 38.50 2bng n PHE 51 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2bng s SER 52 N -4.09 -0.51 -0.03 4.37 1.04 -0.73 -4.98 113.70 108.77 2bng s SER 52 Ca 0.00 0.85 0.01 0.00 0.48 0.00 0.00 55.95 57.29 2bng s SER 52 Cb 0.00 0.87 0.01 0.00 0.10 0.00 0.00 66.02 67.00 2bng s SER 52 CO 0.00 -0.29 -0.06 -0.60 0.98 0.00 0.00 173.24 173.27 2bng s ARG 53 N -0.21 0.82 -0.02 4.02 3.52 -1.26 -1.44 118.95 124.38 2bng s ARG 53 Ca -0.04 -0.17 0.05 0.00 -0.13 0.00 0.00 55.73 55.44 2bng s ARG 53 Cb -0.03 -0.80 -0.01 0.00 -1.56 0.00 0.00 34.95 32.55 2bng s ARG 53 CO 0.03 -0.01 -0.17 0.42 -0.81 0.00 0.00 175.30 174.77 2bng s ILE 54 N 0.59 1.32 -0.13 4.11 1.01 -0.20 -4.99 121.20 122.92 2bng s ILE 54 Ca -0.08 -0.71 -0.02 0.00 0.00 0.00 0.00 60.65 59.84 2bng s ILE 54 Cb -0.12 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 2bng s ILE 54 CO 0.00 0.38 -0.05 -0.13 0.00 0.00 0.00 174.94 175.14 2bng s ARG 55 N -0.31 3.38 0.00 2.79 3.00 -1.26 -0.97 118.95 125.58 2bng s ARG 55 Ca 0.05 -0.53 0.00 0.00 0.00 0.00 0.00 55.73 55.25 2bng s ARG 55 Cb -0.07 -2.81 0.00 0.00 0.00 0.00 0.00 34.95 32.07 2bng s ARG 55 CO -0.00 0.38 0.00 0.41 0.00 0.00 0.00 175.30 176.09 2bng n GLY 56 N 3.10 2.32 0.30 -3.53 0.00 0.15 -4.78 105.19 102.74 2bng n GLY 56 Ca -0.18 -1.09 0.07 0.00 0.00 0.00 0.00 46.02 44.83 2bng n GLY 56 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bng h GLY 57 N 0.00 1.33 1.04 -0.02 0.00 -0.86 -2.01 103.07 102.54 2bng h GLY 57 Ca 0.00 -0.21 -0.19 0.00 0.00 0.00 0.00 47.33 46.93 2bng h GLY 57 CO 0.00 -0.08 -0.69 3.21 0.00 0.00 0.00 176.54 178.98 2bng h ARG 58 N 0.54 0.66 -0.87 4.80 3.08 -1.81 0.12 114.38 120.90 2bng h ARG 58 Ca 0.46 -0.56 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 2bng h ARG 58 Cb 0.69 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.82 2bng h ARG 58 CO -0.39 1.18 0.52 -0.09 -1.07 0.00 0.00 179.97 180.11 2bng h ARG 59 N 0.32 1.19 -0.16 0.04 2.43 -1.86 -1.12 114.38 115.23 2bng h ARG 59 Ca -0.05 -0.11 -0.07 0.00 -0.81 0.00 0.00 59.98 58.93 2bng h ARG 59 Cb 1.33 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2bng h ARG 59 CO 0.14 0.84 -0.19 1.15 -1.51 0.00 0.00 179.97 180.40 2bng h THR 60 N 1.21 1.35 -0.65 0.20 2.02 -1.21 -2.31 112.91 113.51 2bng h THR 60 Ca 0.31 -1.37 0.05 0.00 0.77 0.00 0.00 66.41 66.17 2bng h THR 60 Cb -0.04 1.87 -0.05 0.00 -1.74 0.00 0.00 68.15 68.20 2bng h THR 60 CO -0.06 0.41 0.38 0.00 0.37 0.00 0.00 175.52 176.62 2bng h ALA 61 N 0.61 0.87 -0.00 6.16 0.00 -0.70 -0.71 119.26 125.48 2bng h ALA 61 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 2bng h ALA 61 Cb 0.74 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2bng h ALA 61 CO 0.05 0.08 -0.75 1.79 0.00 0.00 0.00 179.25 180.42 2bng h THR 62 N 0.72 1.51 -0.52 0.00 1.35 -1.23 -0.71 112.91 114.03 2bng h THR 62 Ca 0.28 -2.50 -0.04 0.00 -0.55 0.00 0.00 66.41 63.60 2bng h THR 62 Cb 0.12 2.35 -0.02 0.00 -1.73 0.00 0.00 68.15 68.87 2bng h THR 62 CO -0.15 0.72 0.18 0.25 -0.25 0.00 0.00 175.52 176.27 2bng h LEU 63 N 0.03 0.74 -0.38 3.87 5.85 -0.94 -0.12 115.31 124.36 2bng h LEU 63 Ca -0.01 -0.19 -0.11 0.00 0.84 0.00 0.00 57.88 58.41 2bng h LEU 63 Cb 1.32 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 2bng h LEU 63 CO 0.10 0.74 -0.18 -0.07 -0.34 0.00 0.00 178.44 178.69 2bng h LEU 64 N 0.71 0.82 -1.18 2.25 3.38 -1.06 -2.99 115.31 117.23 2bng h LEU 64 Ca 0.17 -0.40 0.06 0.00 0.09 0.00 0.00 57.88 57.79 2bng h LEU 64 Cb 0.25 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 2bng h LEU 64 CO -0.01 1.04 0.57 -0.09 0.09 0.00 0.00 178.44 180.04 2bng h ARG 65 N 0.59 0.97 -2.22 1.13 2.43 -0.88 -3.28 114.38 113.13 2bng h ARG 65 Ca 0.09 -0.06 -0.18 0.00 -0.81 0.00 0.00 59.98 59.01 2bng h ARG 65 Cb 0.73 -0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 30.00 2bng h ARG 65 CO 0.05 0.64 -0.04 0.54 -1.51 0.00 0.00 179.97 179.66 2bng n ARG 66 N -4.48 1.76 -1.34 0.20 1.74 -0.08 -4.94 116.66 109.52 2bng n ARG 66 Ca 0.13 -0.90 0.00 0.00 -0.77 0.00 0.00 57.85 56.31 2bng n ARG 66 Cb 0.18 -1.96 0.00 0.00 -1.02 0.00 0.00 32.46 29.66 2bng n ARG 66 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2bng n GLN 68 N 2.65 -1.70 0.00 5.56 7.27 -1.24 -4.91 117.38 125.01 2bng n GLN 68 Ca 0.38 1.26 0.00 0.00 0.07 0.00 0.00 57.00 58.71 2bng n GLN 68 Cb 0.74 -1.74 0.00 0.00 2.41 0.00 0.00 30.24 31.64 2bng n GLN 68 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2bng n GLY 69 N -0.62 2.11 0.02 1.69 0.00 -1.26 -4.80 105.19 102.34 2bng n GLY 69 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2bng n GLY 69 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2bng n ARG 70 N -2.00 0.54 -4.31 1.61 0.00 -1.26 -5.02 116.66 106.22 2bng n ARG 70 Ca 0.00 0.02 -0.24 0.00 -0.00 0.00 0.00 57.85 57.63 2bng n ARG 70 Cb 0.00 -1.07 -0.17 0.00 -0.00 0.00 0.00 32.46 31.23 2bng n ARG 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2bng s VAL 71 N -2.07 0.96 0.19 8.89 0.11 -1.26 -4.39 120.40 122.83 2bng s VAL 71 Ca -0.04 -0.34 -0.03 0.00 -2.93 0.00 0.00 61.98 58.64 2bng s VAL 71 Cb 0.01 -0.92 -0.05 0.00 -1.53 0.00 0.00 36.38 33.89 2bng s VAL 71 CO 0.08 0.33 0.40 -0.83 -3.33 0.00 0.00 175.10 171.75 2bng s GLY 72 N 1.00 1.96 -0.06 6.54 0.00 -0.23 -4.40 107.32 112.12 2bng s GLY 72 Ca -0.09 -0.71 0.06 0.00 0.00 0.00 0.00 44.72 43.98 2bng s GLY 72 CO -0.00 -0.64 -0.25 -1.36 0.00 0.00 0.00 173.10 170.85 2bng s PHE 73 N -1.82 2.46 0.02 1.90 0.08 -1.26 -0.72 117.98 118.64 2bng s PHE 73 Ca 0.40 -0.76 0.06 0.00 0.12 0.00 0.00 56.93 56.75 2bng s PHE 73 Cb -0.11 -1.62 -0.03 0.00 -0.57 0.00 0.00 43.02 40.69 2bng s PHE 73 CO 0.28 -0.24 -0.17 -1.21 -0.10 0.00 0.00 175.22 173.77 2bng s GLU 74 N -0.10 2.16 -0.04 0.44 2.02 -0.52 -4.29 118.70 118.38 2bng s GLU 74 Ca -0.06 -0.92 0.01 0.00 0.02 0.00 0.00 54.97 54.02 2bng s GLU 74 Cb -0.14 -2.22 0.02 0.00 0.10 0.00 0.00 34.13 31.89 2bng s GLU 74 CO 0.04 0.56 -0.02 0.08 0.02 0.00 0.00 175.26 175.94 2bng s VAL 75 N -0.89 0.36 -0.16 2.63 1.01 -1.26 -1.52 120.40 120.57 2bng s VAL 75 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.10 2bng s VAL 75 Cb -0.11 -0.42 0.03 0.00 0.00 0.00 0.00 36.38 35.89 2bng s VAL 75 CO 0.04 0.18 -0.10 -0.75 0.00 0.00 0.00 175.10 174.48 2bng s LYS 76 N 0.93 1.89 -0.35 2.72 2.20 0.79 -4.99 119.74 122.94 2bng s LYS 76 Ca -0.11 -0.58 -0.19 0.00 -0.36 0.00 0.00 55.97 54.73 2bng s LYS 76 Cb -0.14 -2.09 -0.00 0.00 -1.51 0.00 0.00 37.83 34.09 2bng s LYS 76 CO -0.01 -0.34 0.56 0.42 -0.36 0.00 0.00 175.35 175.62 2bng s ILE 77 N 1.53 4.97 -0.05 5.43 1.01 -1.26 -0.86 121.20 131.97 2bng s ILE 77 Ca 0.02 0.47 -0.07 0.00 0.00 0.00 0.00 60.65 61.07 2bng s ILE 77 Cb -0.14 -4.00 -0.29 0.00 0.01 0.00 0.00 42.46 38.04 2bng s ILE 77 CO -0.09 -0.24 0.66 0.45 0.00 0.00 0.00 174.94 175.72 2bng h HIS 78 N 8.43 0.58 -3.15 3.97 3.86 -1.18 -3.48 115.15 124.18 2bng h HIS 78 Ca -0.27 -0.42 -0.15 0.00 -1.16 0.00 0.00 60.37 58.36 2bng h HIS 78 Cb 1.12 -0.02 -0.24 0.00 1.06 0.00 0.00 27.41 29.33 2bng h HIS 78 CO 0.73 1.60 -0.40 1.03 0.86 0.00 0.00 177.93 181.75 2bng s ARG 79 N -2.58 0.38 -0.15 2.45 0.52 -1.17 -5.01 118.95 113.39 2bng s ARG 79 Ca -0.15 0.18 -0.11 0.00 -0.52 0.00 0.00 55.73 55.13 2bng s ARG 79 Cb 0.06 0.18 0.04 0.00 0.52 0.00 0.00 34.95 35.75 2bng s ARG 79 CO 0.84 -0.07 0.38 -1.50 0.02 0.00 0.00 175.30 174.97 2bng s ILE 80 N -0.27 -0.01 0.15 1.52 2.07 -1.26 -0.97 121.20 122.42 2bng s ILE 80 Ca -0.04 0.04 -0.10 0.00 -1.41 0.00 0.00 60.65 59.14 2bng s ILE 80 Cb -0.03 -0.54 0.00 0.00 0.13 0.00 0.00 42.46 42.02 2bng s ILE 80 CO 0.01 0.02 0.30 -0.83 -1.91 0.00 0.00 174.94 172.53 2bng s GLY 81 N 0.67 0.27 0.18 1.50 0.00 -0.66 -5.00 107.32 104.29 2bng s GLY 81 Ca -0.04 -0.69 0.10 0.00 0.00 0.00 0.00 44.72 44.09 2bng s GLY 81 CO -0.04 -0.72 -0.14 0.00 0.00 0.00 0.00 173.10 172.19 2bng s ALA 82 N -3.92 2.81 -0.35 3.20 0.00 -1.26 -0.51 121.76 121.72 2bng s ALA 82 Ca 0.12 -1.51 -0.00 0.00 0.00 0.00 0.00 51.96 50.57 2bng s ALA 82 Cb 0.03 -0.61 0.13 0.00 0.00 0.00 0.00 23.12 22.67 2bng s ALA 82 CO -0.04 0.46 0.20 0.34 0.00 0.00 0.00 175.76 176.73 2bng s ASP 83 N -2.74 3.12 1.90 0.00 2.15 0.34 -4.96 116.67 116.49 2bng s ASP 83 Ca 0.23 -2.09 0.00 0.00 0.43 0.00 0.00 52.55 51.12 2bng s ASP 83 Cb -0.09 -0.45 0.00 0.00 -0.30 0.00 0.00 42.92 42.08 2bng s ASP 83 CO 0.13 -0.33 0.00 0.61 -0.17 0.00 0.00 175.17 175.42 2bng n GLY 84 N 4.18 2.39 0.07 2.66 0.00 -1.26 -1.34 105.19 111.89 2bng n GLY 84 Ca 0.09 0.25 0.12 0.00 0.00 0.00 0.00 46.02 46.48 2bng n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bng n ALA 85 N 10.76 2.80 -2.10 4.61 0.00 -1.26 -4.68 120.51 130.64 2bng n ALA 85 Ca 0.00 -0.20 -0.33 0.00 0.00 0.00 0.00 53.44 52.91 2bng n ALA 85 Cb 0.00 -1.24 -0.06 0.00 0.00 0.00 0.00 19.45 18.15 2bng n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bng s ALA 86 N -3.15 3.30 -0.06 0.00 0.00 -0.45 -1.79 121.76 119.61 2bng s ALA 86 Ca 0.07 0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.14 2bng s ALA 86 Cb 0.13 -2.81 0.02 0.00 0.00 0.00 0.00 23.12 20.46 2bng s ALA 86 CO 0.69 0.31 -0.09 0.08 0.00 0.00 0.00 175.76 176.75 2bng s VAL 87 N -1.97 0.90 0.02 0.00 1.01 0.16 -0.50 120.40 120.02 2bng s VAL 87 Ca 0.54 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 62.21 2bng s VAL 87 Cb -0.11 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 2bng s VAL 87 CO 0.17 0.31 -0.00 -0.76 0.00 0.00 0.00 175.10 174.82 2bng s LEU 88 N 0.79 3.49 0.02 3.92 1.02 0.33 -0.36 118.68 127.89 2bng s LEU 88 Ca -0.13 -0.05 0.03 0.00 0.02 0.00 0.00 54.13 54.00 2bng s LEU 88 Cb -0.15 -2.06 -0.02 0.00 0.02 0.00 0.00 46.19 43.98 2bng s LEU 88 CO 0.02 0.25 -0.10 0.42 0.02 0.00 0.00 176.35 176.96 2bng s THR 89 N -1.14 0.76 -0.19 5.49 -4.23 0.46 -1.65 115.64 115.15 2bng s THR 89 Ca 0.21 -0.75 -0.02 0.00 -1.18 0.00 0.00 61.69 59.95 2bng s THR 89 Cb -0.12 -0.71 -0.01 0.00 1.34 0.00 0.00 72.50 73.01 2bng s THR 89 CO 0.12 -0.02 -0.09 -0.70 -0.54 0.00 0.00 174.62 173.39 2bng s GLU 90 N -0.86 3.32 0.15 3.99 2.12 -0.14 -2.05 118.70 125.22 2bng s GLU 90 Ca -0.01 -0.67 0.02 0.00 0.36 0.00 0.00 54.97 54.67 2bng s GLU 90 Cb -0.06 -2.84 -0.04 0.00 0.26 0.00 0.00 34.13 31.44 2bng s GLU 90 CO 0.00 -0.09 -0.02 1.03 -0.54 0.00 0.00 175.26 175.64 2bng s ARG 91 N 1.16 1.04 -0.16 4.30 0.52 0.39 -0.53 118.95 125.67 2bng s ARG 91 Ca 0.01 -1.48 -0.02 0.00 -0.52 0.00 0.00 55.73 53.73 2bng s ARG 91 Cb -0.14 -0.28 -0.01 0.00 0.52 0.00 0.00 34.95 35.04 2bng s ARG 91 CO -0.03 -0.09 -0.09 0.99 0.02 0.00 0.00 175.30 176.10 2bng s THR 92 N -3.63 3.26 0.36 0.02 2.01 -0.04 -1.62 115.64 116.00 2bng s THR 92 Ca 0.20 -0.57 0.09 0.00 0.31 0.00 0.00 61.69 61.72 2bng s THR 92 Cb 0.06 -2.41 -0.06 0.00 0.01 0.00 0.00 72.50 70.10 2bng s THR 92 CO 0.02 0.50 0.03 -1.81 -0.69 0.00 0.00 174.62 172.66 2bng s ASP 93 N 0.64 4.15 -0.16 3.53 -0.00 -0.37 -0.15 116.67 124.31 2bng s ASP 93 Ca -0.05 -1.06 -0.10 0.00 -0.00 0.00 0.00 52.55 51.34 2bng s ASP 93 Cb -0.15 -0.50 0.05 0.00 -0.00 0.00 0.00 42.92 42.33 2bng s ASP 93 CO 0.03 -0.30 0.39 0.00 -0.00 0.00 0.00 175.17 175.29 2bng s ALA 94 N -2.56 -1.00 -0.07 5.23 0.00 -0.58 -1.77 121.76 121.01 2bng s ALA 94 Ca 0.35 1.42 -0.13 0.00 0.00 0.00 0.00 51.96 53.60 2bng s ALA 94 Cb 0.02 -0.86 -0.05 0.00 0.00 0.00 0.00 23.12 22.23 2bng s ALA 94 CO 0.19 -0.25 0.32 -0.51 0.00 0.00 0.00 175.76 175.52 2bng s LEU 95 N 1.18 4.39 -0.17 0.00 1.43 0.16 -1.43 118.68 124.23 2bng s LEU 95 Ca -0.08 0.73 0.01 0.00 -1.03 0.00 0.00 54.13 53.76 2bng s LEU 95 Cb -0.08 -2.42 0.03 0.00 0.03 0.00 0.00 46.19 43.75 2bng s LEU 95 CO -0.10 0.27 -0.13 -0.63 0.23 0.00 0.00 176.35 175.99 2bng s ILE 96 N -0.59 1.65 -0.30 -0.59 1.01 0.10 -0.22 121.20 122.27 2bng s ILE 96 Ca 0.20 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 60.04 2bng s ILE 96 Cb -0.15 -1.62 0.08 0.00 0.01 0.00 0.00 42.46 40.78 2bng s ILE 96 CO 0.09 0.33 -0.01 -0.63 0.00 0.00 0.00 174.94 174.72 2bng s ILE 97 N 1.43 2.01 0.00 2.92 1.01 0.17 -1.06 121.20 127.67 2bng s ILE 97 Ca 0.02 -1.87 0.00 0.00 0.00 0.00 0.00 60.65 58.80 2bng s ILE 97 Cb -0.14 -2.33 0.00 0.00 0.01 0.00 0.00 42.46 39.99 2bng s ILE 97 CO -0.10 -0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.11 2bng n GLY 98 N 4.42 3.42 0.07 6.18 0.00 -1.26 -0.94 105.19 117.07 2bng n GLY 98 Ca -0.05 0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.21 2bng n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2bng n PRO 99 N 14.00 0.18 -2.60 1.61 -0.04 -1.26 -4.81 135.00 142.08 2bng n PRO 99 Ca 0.00 0.14 -0.43 0.00 -0.04 0.00 0.00 63.50 63.17 2bng n PRO 99 Cb 0.00 -1.70 -0.02 0.00 -0.04 0.00 0.00 33.50 31.74 2bng n PRO 99 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2bng s LEU 100 N -4.01 4.16 -0.18 1.53 2.96 -0.12 -4.86 118.68 118.16 2bng s LEU 100 Ca 0.11 1.52 -0.00 0.00 -0.22 0.00 0.00 54.13 55.54 2bng s LEU 100 Cb 0.15 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.30 2bng s LEU 100 CO 0.59 -0.63 -0.14 -0.60 -1.32 0.00 0.00 176.35 174.24 2bng s ARG 101 N 2.92 3.17 -0.28 1.98 3.52 -1.26 -0.65 118.95 128.35 2bng s ARG 101 Ca 0.48 -0.75 -0.01 0.00 -0.13 0.00 0.00 55.73 55.32 2bng s ARG 101 Cb -0.18 -2.70 0.04 0.00 -1.56 0.00 0.00 34.95 30.56 2bng s ARG 101 CO 0.12 -0.12 -0.04 0.08 -0.81 0.00 0.00 175.30 174.53 2bng s VAL 102 N 1.15 2.82 0.03 7.11 1.01 0.69 -3.94 120.40 129.28 2bng s VAL 102 Ca 0.01 -1.31 0.03 0.00 0.00 0.00 0.00 61.98 60.71 2bng s VAL 102 Cb -0.14 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 2bng s VAL 102 CO -0.06 0.00 -0.04 -1.58 0.00 0.00 0.00 175.10 173.43 2bng s GLN 103 N 1.25 2.57 -0.14 2.72 0.74 -1.26 -0.67 119.66 124.88 2bng s GLN 103 Ca -0.04 -0.75 -0.30 0.00 0.05 0.00 0.00 55.36 54.32 2bng s GLN 103 Cb -0.19 -2.54 0.12 0.00 1.10 0.00 0.00 33.01 31.51 2bng s GLN 103 CO -0.03 0.59 0.96 -0.59 -0.55 0.00 0.00 175.29 175.67 2bng s PHE 104 N -1.11 -0.39 0.51 1.67 -0.12 -0.73 -4.30 117.98 113.51 2bng s PHE 104 Ca 0.20 0.63 -0.19 0.00 -0.05 0.00 0.00 56.93 57.52 2bng s PHE 104 Cb -0.11 0.46 -0.08 0.00 -0.63 0.00 0.00 43.02 42.66 2bng s PHE 104 CO 0.11 -0.38 1.02 1.67 -0.05 0.00 0.00 175.22 177.59 2bng s TRP 105 N -1.32 3.13 -0.07 3.49 1.48 -1.26 -1.23 118.94 123.16 2bng s TRP 105 Ca -0.02 1.55 -0.04 0.00 -1.06 0.00 0.00 56.10 56.53 2bng s TRP 105 Cb -0.00 -2.96 0.03 0.00 -1.16 0.00 0.00 33.47 29.38 2bng s TRP 105 CO 0.01 -0.68 0.17 0.08 -4.06 0.00 0.00 176.95 172.47 2bng s VAL 106 N -2.25 -0.04 -0.21 -0.66 1.01 -0.64 -4.58 120.40 113.03 2bng s VAL 106 Ca 0.64 0.13 -0.06 0.00 0.00 0.00 0.00 61.98 62.69 2bng s VAL 106 Cb -0.14 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 2bng s VAL 106 CO 0.25 0.05 0.02 0.00 0.00 0.00 0.00 175.10 175.42 2bng s GLY 108 N 1.16 1.70 -0.06 0.00 0.00 -0.87 -0.69 107.32 108.55 2bng s GLY 108 Ca 0.03 -0.86 0.04 0.00 0.00 0.00 0.00 44.72 43.92 2bng s GLY 108 CO 0.02 -0.44 -0.17 -1.34 0.00 0.00 0.00 173.10 171.17 2bng s VAL 109 N -0.36 2.84 0.10 1.40 -7.23 0.60 -0.40 120.40 117.35 2bng s VAL 109 Ca 0.05 -0.79 0.06 0.00 -1.81 0.00 0.00 61.98 59.49 2bng s VAL 109 Cb -0.12 -2.11 -0.03 0.00 0.56 0.00 0.00 36.38 34.68 2bng s VAL 109 CO 0.02 0.58 -0.16 -0.36 -0.31 0.00 0.00 175.10 174.87 2bng s PHE 110 N -0.46 1.45 -0.09 2.82 0.40 0.51 -1.09 117.98 121.51 2bng s PHE 110 Ca 0.06 -0.49 0.04 0.00 -0.60 0.00 0.00 56.93 55.94 2bng s PHE 110 Cb -0.12 -0.78 0.00 0.00 0.51 0.00 0.00 43.02 42.63 2bng s PHE 110 CO 0.02 0.14 -0.21 -1.21 0.70 0.00 0.00 175.22 174.66 2bng s GLU 111 N -2.19 2.69 -0.03 0.44 2.02 -0.45 -0.66 118.70 120.52 2bng s GLU 111 Ca 0.05 -0.76 0.07 0.00 0.02 0.00 0.00 54.97 54.36 2bng s GLU 111 Cb -0.08 -2.07 -0.02 0.00 0.10 0.00 0.00 34.13 32.07 2bng s GLU 111 CO 0.03 0.14 -0.25 0.54 0.02 0.00 0.00 175.26 175.74 2bng s VAL 112 N 0.43 1.98 -0.13 2.63 0.11 -0.74 0.10 120.40 124.78 2bng s VAL 112 Ca -0.18 -1.06 -0.02 0.00 -2.93 0.00 0.00 61.98 57.79 2bng s VAL 112 Cb -0.17 -1.65 0.04 0.00 -1.53 0.00 0.00 36.38 33.07 2bng s VAL 112 CO 0.07 0.56 0.02 -0.62 -3.33 0.00 0.00 175.10 171.80 2bng s ASP 113 N -0.49 2.17 -1.34 3.54 2.15 0.43 -4.80 116.67 118.33 2bng s ASP 113 Ca 0.07 -0.41 -0.04 0.00 0.43 0.00 0.00 52.55 52.60 2bng s ASP 113 Cb -0.11 -0.51 0.02 0.00 -0.30 0.00 0.00 42.92 42.03 2bng s ASP 113 CO 0.00 -0.24 0.87 0.47 -0.17 0.00 0.00 175.17 176.10 2bng n ASP 114 N 5.11 -2.67 0.00 -0.34 10.43 -1.26 -1.36 116.55 126.46 2bng n ASP 114 Ca -0.08 -0.74 0.00 0.00 2.57 0.00 0.00 54.79 56.54 2bng n ASP 114 Cb 0.49 -4.35 0.00 0.00 1.84 0.00 0.00 41.12 39.10 2bng n ASP 114 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2bng n GLY 115 N -1.56 1.71 3.71 0.44 0.00 -1.26 -4.99 105.19 103.24 2bng n GLY 115 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 2bng n GLY 115 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bng s ARG 116 N -0.09 2.97 -0.26 1.61 1.81 -0.46 -4.84 118.95 119.68 2bng s ARG 116 Ca 0.00 -0.46 -0.27 0.00 -1.72 0.00 0.00 55.73 53.28 2bng s ARG 116 Cb 0.00 -2.80 0.01 0.00 -0.45 0.00 0.00 34.95 31.71 2bng s ARG 116 CO 0.00 0.68 0.97 0.42 -0.68 0.00 0.00 175.30 176.68 2bng s ILE 117 N -1.01 4.70 -0.10 1.52 1.01 0.82 -0.43 121.20 127.71 2bng s ILE 117 Ca 0.17 1.76 0.17 0.00 0.00 0.00 0.00 60.65 62.75 2bng s ILE 117 Cb -0.12 -4.26 -0.26 0.00 0.01 0.00 0.00 42.46 37.83 2bng s ILE 117 CO 0.07 -0.22 0.41 0.35 0.00 0.00 0.00 174.94 175.55 2bng n THR 118 N 5.44 0.00 -3.91 2.92 -2.24 0.11 -0.27 114.28 116.33 2bng n THR 118 Ca 0.09 -0.36 -0.17 0.00 -2.27 0.00 0.00 64.05 61.34 2bng n THR 118 Cb 0.47 0.20 -0.16 0.00 -2.10 0.00 0.00 70.33 68.73 2bng n THR 118 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2bng s LEU 119 N -4.05 1.16 -0.17 3.22 2.96 -1.09 -1.51 118.68 119.20 2bng s LEU 119 Ca -0.05 -0.02 -0.02 0.00 -0.22 0.00 0.00 54.13 53.82 2bng s LEU 119 Cb 0.11 -0.20 0.05 0.00 0.50 0.00 0.00 46.19 46.66 2bng s LEU 119 CO 0.71 -0.10 0.02 0.86 -1.32 0.00 0.00 176.35 176.52 2bng s TRP 120 N 1.02 1.02 -0.20 5.38 -0.00 0.24 -1.34 118.94 125.05 2bng s TRP 120 Ca -0.10 -0.75 -0.02 0.00 -0.00 0.00 0.00 56.10 55.22 2bng s TRP 120 Cb -0.13 -1.01 0.06 0.00 -0.00 0.00 0.00 33.47 32.39 2bng s TRP 120 CO -0.02 -0.56 0.03 0.50 -0.00 0.00 0.00 176.95 176.90 2bng s ARG 121 N 1.86 0.76 -0.19 5.86 3.52 -0.25 -0.67 118.95 129.83 2bng s ARG 121 Ca 0.00 -0.52 -0.07 0.00 -0.13 0.00 0.00 55.73 55.01 2bng s ARG 121 Cb -0.16 -2.16 -0.04 0.00 -1.56 0.00 0.00 34.95 31.03 2bng s ARG 121 CO -0.07 -0.65 0.06 -0.51 -0.81 0.00 0.00 175.30 173.31 2bng s ASP 122 N 1.80 5.54 -0.11 -2.12 1.01 -0.19 -0.29 116.67 122.32 2bng s ASP 122 Ca -0.01 0.03 -0.03 0.00 0.71 0.00 0.00 52.55 53.25 2bng s ASP 122 Cb -0.17 -1.96 -0.03 0.00 1.01 0.00 0.00 42.92 41.77 2bng s ASP 122 CO -0.09 0.14 0.01 -0.31 0.21 0.00 0.00 175.17 175.13 2bng s TYR 123 N 0.56 3.17 0.32 4.23 1.51 0.13 -0.99 117.35 126.29 2bng s TYR 123 Ca 0.03 0.12 -0.17 0.00 -1.01 0.00 0.00 57.07 56.04 2bng s TYR 123 Cb -0.13 -1.85 0.03 0.00 -0.11 0.00 0.00 41.96 39.90 2bng s TYR 123 CO 0.01 0.37 0.71 -0.59 -1.11 0.00 0.00 175.55 174.94 2bng s PHE 124 N -0.56 0.07 -0.10 2.71 -0.71 -1.26 -1.26 117.98 116.87 2bng s PHE 124 Ca 0.10 -0.60 0.03 0.00 -1.04 0.00 0.00 56.93 55.42 2bng s PHE 124 Cb -0.12 0.66 -0.01 0.00 -1.21 0.00 0.00 43.02 42.35 2bng s PHE 124 CO 0.02 -1.35 -0.21 0.34 -1.34 0.00 0.00 175.22 172.69 2bng s ASP 125 N -3.01 3.38 0.41 1.98 2.15 -1.26 -5.01 116.67 115.30 2bng s ASP 125 Ca 0.15 -0.47 0.17 0.00 0.43 0.00 0.00 52.55 52.83 2bng s ASP 125 Cb -0.05 -1.32 0.89 0.00 -0.30 0.00 0.00 42.92 42.14 2bng s ASP 125 CO 0.10 0.19 1.88 -0.37 -0.17 0.00 0.00 175.17 176.79 2bng h VAL 126 N 5.42 1.05 -0.16 1.11 -1.51 -2.00 -2.70 116.25 117.46 2bng h VAL 126 Ca -0.25 -1.11 -0.07 0.00 -1.23 0.00 0.00 66.70 64.04 2bng h VAL 126 Cb 1.22 1.62 -0.00 0.00 -2.13 0.00 0.00 31.29 32.00 2bng h VAL 126 CO 0.49 0.30 -0.19 0.22 -1.23 0.00 0.00 177.57 177.16 2bng h TYR 127 N 0.00 0.50 0.00 5.19 3.20 -2.05 -0.07 116.97 123.74 2bng h TYR 127 Ca -0.00 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.71 2bng h TYR 127 Cb 0.60 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.77 2bng h TYR 127 CO 0.00 0.81 0.00 -3.47 -1.64 0.00 0.00 178.16 173.86 2bng n ASP 128 N -4.49 0.24 0.00 -2.11 2.03 -1.02 -1.35 116.55 109.85 2bng n ASP 128 Ca -0.06 -0.26 0.00 0.00 0.52 0.00 0.00 54.79 54.99 2bng n ASP 128 Cb 0.40 -0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 2bng n ASP 128 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2bng n PHE 130 N 0.64 0.00 -0.37 -0.67 7.35 -0.04 -1.13 117.46 123.24 2bng n PHE 130 Ca 0.00 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.67 2bng n PHE 130 Cb 0.05 0.00 0.11 0.00 0.35 0.00 0.00 39.48 39.98 2bng n PHE 130 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 2bng h LYS 131 N 0.00 1.31 -0.71 -4.13 1.57 -1.47 -0.45 116.57 112.69 2bng h LYS 131 Ca 0.00 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 2bng h LYS 131 Cb 0.00 -0.29 -0.03 0.00 0.08 0.00 0.00 32.23 31.98 2bng h LYS 131 CO 0.00 0.87 0.38 0.78 -0.57 0.00 0.00 179.45 180.91 2bng h GLY 132 N 1.34 1.07 0.95 3.86 0.00 -1.31 -0.69 103.07 108.29 2bng h GLY 132 Ca 0.36 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 2bng h GLY 132 CO -0.08 0.48 0.00 -2.00 0.00 0.00 0.00 176.54 174.94 2bng h LEU 133 N 0.99 0.00 -0.44 3.11 5.85 -1.68 -0.20 115.31 122.93 2bng h LEU 133 Ca 0.25 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.96 2bng h LEU 133 Cb 0.06 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 2bng h LEU 133 CO -0.04 0.06 0.20 -0.07 -0.34 0.00 0.00 178.44 178.25 2bng h LEU 134 N -0.05 0.27 -0.71 2.25 3.38 -0.77 0.46 115.31 120.14 2bng h LEU 134 Ca 0.00 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2bng h LEU 134 Cb 0.05 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 2bng h LEU 134 CO -0.00 0.19 0.47 -0.09 0.09 0.00 0.00 178.44 179.10 2bng h ARG 135 N 0.40 0.92 -0.15 1.13 2.43 -1.07 0.19 114.38 118.23 2bng h ARG 135 Ca 0.20 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.34 2bng h ARG 135 Cb 0.14 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 2bng h ARG 135 CO -0.16 0.61 -0.02 0.78 -1.51 0.00 0.00 179.97 179.66 2bng h GLY 136 N 0.95 0.12 0.94 2.80 0.00 -0.54 -0.90 103.07 106.44 2bng h GLY 136 Ca 0.26 0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.59 2bng h GLY 136 CO -0.06 -0.04 0.10 1.41 0.00 0.00 0.00 176.54 177.95 2bng h LEU 137 N 0.02 0.63 -0.53 3.11 3.38 -0.60 -1.87 115.31 119.44 2bng h LEU 137 Ca 0.07 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 2bng h LEU 137 Cb 0.10 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2bng h LEU 137 CO -0.14 0.69 0.33 0.58 0.09 0.00 0.00 178.44 179.99 2bng h VAL 138 N 0.53 1.15 0.00 1.22 2.07 -0.94 -2.12 116.25 118.16 2bng h VAL 138 Ca 0.13 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 2bng h VAL 138 Cb 0.31 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2bng h VAL 138 CO 0.00 0.16 -0.03 0.00 0.02 0.00 0.00 177.57 177.71 2bng h ALA 139 N 1.16 1.52 0.00 1.67 0.00 -0.93 0.12 119.26 122.80 2bng h ALA 139 Ca 0.19 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2bng h ALA 139 Cb -0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2bng h ALA 139 CO -0.04 0.04 -0.16 1.25 0.00 0.00 0.00 179.25 180.34 2bng h LEU 140 N 0.00 0.00 0.00 0.00 5.85 -0.63 -2.02 115.31 118.51 2bng h LEU 140 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2bng h LEU 140 Cb 0.08 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 2bng h LEU 140 CO 0.00 0.16 -1.57 1.33 -0.34 0.00 0.00 178.44 178.03 2bng n VAL 141 N -3.56 0.02 -3.78 1.05 0.24 -0.67 -4.77 118.33 106.86 2bng n VAL 141 Ca -0.01 -0.29 -0.29 0.00 -2.04 0.00 0.00 64.34 61.71 2bng n VAL 141 Cb 0.30 0.19 -0.13 0.00 -1.47 0.00 0.00 33.84 32.74 2bng n VAL 141 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2bng s VAL 142 N -2.83 1.97 -1.46 3.34 1.01 0.33 -4.98 120.40 117.78 2bng s VAL 142 Ca -0.05 -3.22 0.00 0.00 0.00 0.00 0.00 61.98 58.72 2bng s VAL 142 Cb 0.08 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 34.11 2bng s VAL 142 CO 0.51 -0.94 0.35 -2.65 0.00 0.00 0.00 175.10 172.37 2bng n PRO 143 N 2.93 0.00 0.00 2.72 -0.02 -0.77 -4.14 135.00 135.73 2bng n PRO 143 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 2bng n PRO 143 Cb 0.36 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 2bng n PRO 143 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93