#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g6e s GLU 5 N 0.00 4.30 -0.22 0.00 2.02 -1.26 -5.04 118.70 118.49 3g6e s GLU 5 Ca 0.00 1.86 -0.03 0.00 0.02 0.00 0.00 54.97 56.82 3g6e s GLU 5 Cb 0.00 -2.89 0.10 0.00 0.10 0.00 0.00 34.13 31.44 3g6e s GLU 5 CO 0.00 -0.12 0.22 0.12 0.02 0.00 0.00 175.26 175.50 3g6e s PHE 6 N -1.31 -0.23 -0.93 1.61 5.36 -1.26 -5.10 117.98 116.11 3g6e s PHE 6 Ca 0.52 0.03 -0.24 0.00 -0.96 0.00 0.00 56.93 56.28 3g6e s PHE 6 Cb -0.32 -0.44 0.02 0.00 -0.34 0.00 0.00 43.02 41.94 3g6e s PHE 6 CO 0.41 -0.67 1.60 0.34 -1.46 0.00 0.00 175.22 175.43 3g6e s ASP 7 N 2.30 6.01 0.03 6.13 -1.08 -1.26 -4.98 116.67 123.82 3g6e s ASP 7 Ca 0.07 -1.03 -0.21 0.00 -0.52 0.00 0.00 52.55 50.87 3g6e s ASP 7 Cb -0.15 -2.56 -0.06 0.00 -1.46 0.00 0.00 42.92 38.68 3g6e s ASP 7 CO -0.18 -1.95 0.62 0.00 0.52 0.00 0.00 175.17 174.19 3g6e s ALA 8 N 6.75 3.50 0.04 3.66 0.00 -1.26 -4.88 121.76 129.57 3g6e s ALA 8 Ca 0.53 0.08 -0.11 0.00 0.00 0.00 0.00 51.96 52.47 3g6e s ALA 8 Cb -0.03 -2.76 -0.32 0.00 0.00 0.00 0.00 23.12 20.00 3g6e s ALA 8 CO -0.03 0.22 1.02 -0.44 0.00 0.00 0.00 175.76 176.53 3g6e h ASP 9 N 5.28 0.66 -3.90 0.00 3.32 -1.18 -3.45 116.42 117.15 3g6e h ASP 9 Ca -0.46 -0.73 -0.57 0.00 0.02 0.00 0.00 57.03 55.29 3g6e h ASP 9 Cb 1.20 -0.21 -0.31 0.00 0.22 0.00 0.00 39.33 40.23 3g6e h ASP 9 CO 0.68 1.58 -0.84 -0.69 -1.72 0.00 0.00 179.24 178.25 3g6e s VAL 10 N -2.62 1.46 -0.22 -1.35 1.01 -1.05 -5.01 120.40 112.60 3g6e s VAL 10 Ca -0.08 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.19 3g6e s VAL 10 Cb 0.05 -1.25 0.05 0.00 0.00 0.00 0.00 36.38 35.23 3g6e s VAL 10 CO 0.91 0.42 -0.13 -0.63 0.00 0.00 0.00 175.10 175.68 3g6e s ILE 11 N 0.03 1.98 -0.15 2.22 1.01 -1.26 -1.77 121.20 123.26 3g6e s ILE 11 Ca -0.04 -1.30 -0.08 0.00 0.00 0.00 0.00 60.65 59.24 3g6e s ILE 11 Cb -0.12 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 3g6e s ILE 11 CO 0.02 0.15 0.14 -0.69 0.00 0.00 0.00 174.94 174.56 3g6e s VAL 12 N 1.23 5.48 -0.42 2.92 1.01 0.03 -0.73 120.40 129.93 3g6e s VAL 12 Ca -0.04 0.21 -0.17 0.00 0.00 0.00 0.00 61.98 61.98 3g6e s VAL 12 Cb -0.17 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 32.80 3g6e s VAL 12 CO -0.08 0.56 0.40 -0.62 0.00 0.00 0.00 175.10 175.36 3g6e s ASP 13 N -0.57 6.17 0.10 3.32 3.68 -0.58 -0.19 116.67 128.60 3g6e s ASP 13 Ca 0.13 -0.73 0.28 0.00 2.13 0.00 0.00 52.55 54.35 3g6e s ASP 13 Cb -0.12 -2.21 1.03 0.00 -1.45 0.00 0.00 42.92 40.18 3g6e s ASP 13 CO 0.02 -0.55 1.85 0.00 0.13 0.00 0.00 175.17 176.62 3g6e n ALA 14 N 5.48 2.32 -1.69 3.66 0.00 -0.26 -4.66 120.51 125.38 3g6e n ALA 14 Ca -0.08 -0.07 -0.51 0.00 0.00 0.00 0.00 53.44 52.78 3g6e n ALA 14 Cb 0.47 -1.46 -0.06 0.00 0.00 0.00 0.00 19.45 18.40 3g6e n ALA 14 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3g6e n ARG 15 N -1.85 1.83 -1.71 0.00 0.63 -1.25 -1.04 116.66 113.26 3g6e n ARG 15 Ca 0.06 0.67 -0.19 0.00 -0.92 0.00 0.00 57.85 57.47 3g6e n ARG 15 Cb 0.38 -2.48 -0.07 0.00 0.45 0.00 0.00 32.46 30.75 3g6e n ARG 15 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3g6e n ASP 16 N 6.41 -5.31 -4.66 6.15 8.00 -0.86 -4.95 116.55 121.32 3g6e n ASP 16 Ca 0.24 0.37 -0.34 0.00 0.71 0.00 0.00 54.79 55.78 3g6e n ASP 16 Cb 0.24 -4.45 -0.10 0.00 -0.02 0.00 0.00 41.12 36.79 3g6e n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g6e s ILE 18 N -0.95 3.36 0.12 0.00 1.01 0.12 -1.30 121.20 123.56 3g6e s ILE 18 Ca 0.16 0.32 -0.22 0.00 0.00 0.00 0.00 60.65 60.90 3g6e s ILE 18 Cb -0.11 -3.65 -0.05 0.00 0.01 0.00 0.00 42.46 38.65 3g6e s ILE 18 CO 0.05 -0.52 1.16 0.80 0.00 0.00 0.00 174.94 176.43 3g6e n MET 19 N 8.76 -0.32 -0.04 2.79 0.00 0.30 -1.59 117.12 127.02 3g6e n MET 19 Ca 0.24 1.14 0.07 0.00 -0.00 0.00 0.00 57.70 59.15 3g6e n MET 19 Cb 0.49 -1.68 0.45 0.00 0.00 0.00 0.00 33.22 32.49 3g6e n MET 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3g6e h GLY 20 N 0.00 0.59 1.53 -5.12 0.00 -1.91 0.81 103.07 98.97 3g6e h GLY 20 Ca 0.12 -0.20 -0.17 0.00 0.00 0.00 0.00 47.33 47.07 3g6e h GLY 20 CO -0.68 0.17 -0.65 3.21 0.00 0.00 0.00 176.54 178.58 3g6e h ARG 21 N 0.50 0.47 -0.08 4.80 3.08 -1.69 -0.70 114.38 120.77 3g6e h ARG 21 Ca 0.20 -0.34 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 3g6e h ARG 21 Cb 0.18 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3g6e h ARG 21 CO -0.05 0.97 -0.16 0.28 -1.07 0.00 0.00 179.97 179.93 3g6e h VAL 22 N 0.34 1.41 -0.87 2.04 2.07 -0.91 -3.03 116.25 117.30 3g6e h VAL 22 Ca -0.02 -1.47 0.08 0.00 0.82 0.00 0.00 66.70 66.11 3g6e h VAL 22 Cb 1.21 2.19 -0.07 0.00 -1.52 0.00 0.00 31.29 33.10 3g6e h VAL 22 CO 0.12 0.42 0.52 0.00 0.02 0.00 0.00 177.57 178.64 3g6e h ALA 23 N 0.49 1.23 -0.56 1.67 0.00 -0.78 0.67 119.26 121.97 3g6e h ALA 23 Ca 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3g6e h ALA 23 Cb 0.75 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3g6e h ALA 23 CO 0.04 0.19 0.08 1.03 0.00 0.00 0.00 179.25 180.59 3g6e h SER 24 N 0.90 0.86 0.24 0.00 0.87 -1.14 -1.26 113.55 114.02 3g6e h SER 24 Ca 0.40 -0.19 -0.24 0.00 -1.23 0.00 0.00 61.79 60.53 3g6e h SER 24 Cb 0.30 -0.23 0.01 0.00 -0.44 0.00 0.00 62.40 62.04 3g6e h SER 24 CO -0.22 0.88 -1.00 1.56 -0.53 0.00 0.00 176.83 177.53 3g6e h GLN 25 N 0.86 0.50 -0.13 2.24 4.20 -1.21 -2.65 115.11 118.91 3g6e h GLN 25 Ca 0.17 -0.55 -0.09 0.00 0.06 0.00 0.00 58.65 58.25 3g6e h GLN 25 Cb 0.40 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 3g6e h GLN 25 CO 0.01 1.19 -0.31 0.28 -0.67 0.00 0.00 178.83 179.32 3g6e h VAL 26 N 0.27 1.27 -0.09 -0.54 2.07 -0.72 -1.63 116.25 116.89 3g6e h VAL 26 Ca -0.10 -1.29 -0.06 0.00 0.82 0.00 0.00 66.70 66.08 3g6e h VAL 26 Cb 1.64 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 3g6e h VAL 26 CO 0.18 0.39 -0.17 0.00 0.02 0.00 0.00 177.57 177.99 3g6e h ALA 27 N 1.45 0.14 -0.76 1.67 0.00 -1.24 -1.71 119.26 118.81 3g6e h ALA 27 Ca 0.03 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 54.65 3g6e h ALA 27 Cb 0.67 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 3g6e h ALA 27 CO 0.05 0.05 0.45 1.49 0.00 0.00 0.00 179.25 181.29 3g6e h GLU 28 N -0.19 0.80 -0.14 0.00 4.57 -1.32 -2.18 114.58 116.13 3g6e h GLU 28 Ca 0.00 -0.05 -0.18 0.00 -1.18 0.00 0.00 59.36 57.96 3g6e h GLU 28 Cb 0.75 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 29.15 3g6e h GLU 28 CO 0.04 0.53 -0.65 1.96 -1.18 0.00 0.00 179.01 179.71 3g6e h GLN 29 N 0.83 0.53 -0.09 1.92 4.20 -1.29 -2.92 115.11 118.29 3g6e h GLN 29 Ca 0.33 -0.38 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 3g6e h GLN 29 Cb 0.17 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 3g6e h GLN 29 CO -0.17 1.00 -0.31 0.00 -0.67 0.00 0.00 178.83 178.67 3g6e h ALA 30 N 0.90 1.31 0.00 3.87 0.00 -0.85 -1.07 119.26 123.42 3g6e h ALA 30 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3g6e h ALA 30 Cb 1.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3g6e h ALA 30 CO 0.12 0.48 0.00 -0.07 0.00 0.00 0.00 179.25 179.78 3g6e h LEU 31 N 0.15 0.00 -0.96 0.00 3.38 -1.37 -2.83 115.31 113.69 3g6e h LEU 31 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3g6e h LEU 31 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3g6e h LEU 31 CO 0.05 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.05 3g6e n ASP 32 N -2.86 1.47 0.00 -0.43 8.00 -0.76 -4.93 116.55 117.05 3g6e n ASP 32 Ca 0.04 -1.54 0.00 0.00 0.71 0.00 0.00 54.79 54.00 3g6e n ASP 32 Cb 0.48 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 3g6e n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3g6e n GLY 33 N 1.15 0.51 3.78 0.44 0.00 -1.07 -5.07 105.19 104.93 3g6e n GLY 33 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 3g6e n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g6e s GLU 34 N -0.99 4.43 -0.54 1.61 0.41 -0.48 -4.99 118.70 118.16 3g6e s GLU 34 Ca 0.00 1.49 -0.16 0.00 -0.41 0.00 0.00 54.97 55.88 3g6e s GLU 34 Cb 0.00 -2.78 0.12 0.00 -1.78 0.00 0.00 34.13 29.69 3g6e s GLU 34 CO 0.00 0.11 0.52 0.99 -0.49 0.00 0.00 175.26 176.39 3g6e s THR 35 N -1.54 5.14 0.04 3.63 2.01 -1.26 -4.25 115.64 119.41 3g6e s THR 35 Ca 0.52 -1.35 -0.02 0.00 0.31 0.00 0.00 61.69 61.14 3g6e s THR 35 Cb -0.22 -4.34 -0.04 0.00 0.01 0.00 0.00 72.50 67.90 3g6e s THR 35 CO 0.28 -0.88 0.23 -0.69 -0.69 0.00 0.00 174.62 172.88 3g6e s VAL 36 N 1.80 5.36 -0.18 3.82 1.01 -0.91 -0.51 120.40 130.79 3g6e s VAL 36 Ca 0.05 -0.18 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 3g6e s VAL 36 Cb -0.28 -3.59 0.06 0.00 0.00 0.00 0.00 36.38 32.56 3g6e s VAL 36 CO 0.04 0.22 0.04 0.00 0.00 0.00 0.00 175.10 175.40 3g6e s ALA 37 N -1.44 0.93 -0.10 5.51 0.00 -0.73 -2.40 121.76 123.53 3g6e s ALA 37 Ca 0.32 -0.62 -0.23 0.00 0.00 0.00 0.00 51.96 51.42 3g6e s ALA 37 Cb -0.13 -1.14 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 3g6e s ALA 37 CO 0.23 -1.13 0.71 0.08 0.00 0.00 0.00 175.76 175.65 3g6e s VAL 38 N 1.89 5.02 0.17 0.00 1.01 -0.48 -0.79 120.40 127.23 3g6e s VAL 38 Ca -0.00 1.43 0.10 0.00 0.00 0.00 0.00 61.98 63.51 3g6e s VAL 38 Cb -0.17 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 3g6e s VAL 38 CO -0.08 0.19 -0.19 -0.69 0.00 0.00 0.00 175.10 174.34 3g6e s VAL 39 N 1.19 2.67 -1.33 2.92 1.01 0.73 -0.26 120.40 127.33 3g6e s VAL 39 Ca 0.36 -1.83 -0.05 0.00 0.00 0.00 0.00 61.98 60.46 3g6e s VAL 39 Cb -0.17 -2.28 0.02 0.00 0.00 0.00 0.00 36.38 33.95 3g6e s VAL 39 CO 0.16 -0.07 1.01 0.59 0.00 0.00 0.00 175.10 176.79 3g6e n ASN 40 N 0.31 -3.87 0.27 3.32 3.02 0.32 -1.10 115.26 117.53 3g6e n ASN 40 Ca -0.13 -0.65 0.14 0.00 -0.03 0.00 0.00 54.58 53.91 3g6e n ASN 40 Cb 0.55 -4.72 0.74 0.00 -0.61 0.00 0.00 39.78 35.75 3g6e n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3g6e h ALA 41 N 0.95 1.18 0.00 5.41 0.00 -1.74 -2.00 119.26 123.06 3g6e h ALA 41 Ca -0.59 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.17 3g6e h ALA 41 Cb 1.36 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 3g6e h ALA 41 CO 0.56 0.13 -0.29 1.05 0.00 0.00 0.00 179.25 180.70 3g6e h GLU 42 N 0.00 0.00 -0.57 0.00 9.09 -1.88 -2.22 114.58 119.00 3g6e h GLU 42 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3g6e h GLU 42 Cb 0.37 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.47 3g6e h GLU 42 CO 0.01 0.29 0.00 0.54 0.05 0.00 0.00 179.01 179.90 3g6e n ARG 43 N -4.20 2.33 -2.25 1.06 1.74 -0.76 -1.29 116.66 113.30 3g6e n ARG 43 Ca -0.02 -2.05 -0.34 0.00 -0.77 0.00 0.00 57.85 54.67 3g6e n ARG 43 Cb 0.33 -1.45 -0.01 0.00 -1.02 0.00 0.00 32.46 30.32 3g6e n ARG 43 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3g6e s ALA 44 N -1.25 2.77 0.11 7.54 0.00 -0.84 -2.04 121.76 128.06 3g6e s ALA 44 Ca 0.38 0.55 0.09 0.00 0.00 0.00 0.00 51.96 52.97 3g6e s ALA 44 Cb 0.20 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 3g6e s ALA 44 CO 0.26 -0.64 -0.18 0.08 0.00 0.00 0.00 175.76 175.28 3g6e s VAL 45 N -2.17 2.84 -0.08 0.00 1.01 -0.42 -0.52 120.40 121.08 3g6e s VAL 45 Ca 0.66 -1.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.14 3g6e s VAL 45 Cb -0.17 -2.30 0.04 0.00 0.00 0.00 0.00 36.38 33.95 3g6e s VAL 45 CO 0.29 0.12 0.09 -0.51 0.00 0.00 0.00 175.10 175.09 3g6e s ILE 46 N -1.13 -0.13 0.75 2.22 2.07 -0.69 -0.54 121.20 123.75 3g6e s ILE 46 Ca 0.18 0.28 -0.12 0.00 -1.41 0.00 0.00 60.65 59.57 3g6e s ILE 46 Cb -0.11 -0.28 0.05 0.00 0.13 0.00 0.00 42.46 42.25 3g6e s ILE 46 CO 0.10 0.07 1.11 -0.89 -1.91 0.00 0.00 174.94 173.41 3g6e s THR 47 N 2.19 3.13 0.00 4.00 2.01 -1.26 -1.34 115.64 124.37 3g6e s THR 47 Ca 0.04 0.43 0.00 0.00 0.31 0.00 0.00 61.69 62.47 3g6e s THR 47 Cb -0.13 -2.89 0.00 0.00 0.01 0.00 0.00 72.50 69.49 3g6e s THR 47 CO -0.05 -0.43 0.00 0.61 -0.69 0.00 0.00 174.62 174.07 3g6e n GLY 48 N -0.78 -0.63 3.64 4.40 0.00 -0.74 -4.88 105.19 106.20 3g6e n GLY 48 Ca 0.10 -2.24 -0.43 0.00 0.00 0.00 0.00 46.02 43.45 3g6e n GLY 48 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3g6e s ARG 49 N -0.39 4.09 0.29 1.61 3.52 -1.26 -2.78 118.95 124.04 3g6e s ARG 49 Ca 0.00 1.22 0.04 0.00 -0.13 0.00 0.00 55.73 56.85 3g6e s ARG 49 Cb 0.00 -3.75 0.73 0.00 -1.56 0.00 0.00 34.95 30.37 3g6e s ARG 49 CO 0.00 -0.87 1.69 1.49 -0.81 0.00 0.00 175.30 176.80 3g6e h GLU 50 N 8.19 0.35 -0.91 5.12 4.81 -1.94 -1.93 114.58 128.27 3g6e h GLU 50 Ca -0.22 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.01 3g6e h GLU 50 Cb 1.07 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.33 3g6e h GLU 50 CO 1.02 0.23 0.60 0.93 -0.73 0.00 0.00 179.01 181.06 3g6e h GLU 51 N 0.36 1.17 0.08 1.92 3.07 -1.99 -0.95 114.58 118.24 3g6e h GLU 51 Ca 0.56 -0.07 -0.25 0.00 -0.50 0.00 0.00 59.36 59.10 3g6e h GLU 51 Cb 1.08 -0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 28.72 3g6e h GLU 51 CO -0.55 0.77 -1.18 -0.56 -1.40 0.00 0.00 179.01 176.09 3g6e h GLN 52 N 1.20 0.18 -0.03 2.33 -0.00 -1.78 -2.77 115.11 114.24 3g6e h GLN 52 Ca 0.34 -0.30 -0.00 0.00 -0.00 0.00 0.00 58.65 58.69 3g6e h GLN 52 Cb -0.09 0.11 -0.00 0.00 -0.00 0.00 0.00 27.48 27.50 3g6e h GLN 52 CO -0.08 1.13 0.01 0.82 -0.00 0.00 0.00 178.83 180.71 3g6e h ILE 53 N 0.05 1.18 -0.33 1.86 2.04 -1.17 -2.32 117.51 118.81 3g6e h ILE 53 Ca -0.10 -0.52 -0.04 0.00 1.00 0.00 0.00 64.86 65.20 3g6e h ILE 53 Cb 1.91 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 39.45 3g6e h ILE 53 CO 0.18 0.14 0.04 0.58 0.00 0.00 0.00 178.15 179.08 3g6e h VAL 54 N -0.17 1.18 -0.77 1.67 2.07 -1.28 -2.28 116.25 116.67 3g6e h VAL 54 Ca 0.01 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 3g6e h VAL 54 Cb 0.22 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 3g6e h VAL 54 CO -0.00 0.24 0.34 -0.08 0.02 0.00 0.00 177.57 178.09 3g6e h GLU 55 N 0.49 1.13 -0.25 1.57 4.81 -1.29 0.20 114.58 121.24 3g6e h GLU 55 Ca 0.11 -0.18 -0.06 0.00 -0.13 0.00 0.00 59.36 59.09 3g6e h GLU 55 Cb 0.26 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3g6e h GLU 55 CO 0.00 0.90 -0.10 -0.22 -0.73 0.00 0.00 179.01 178.86 3g6e h LYS 56 N 1.10 0.50 0.00 1.92 3.64 -0.92 -1.96 116.57 120.84 3g6e h LYS 56 Ca 0.26 -0.21 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 3g6e h LYS 56 Cb 0.16 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3g6e h LYS 56 CO -0.03 0.75 -0.37 1.88 -2.27 0.00 0.00 179.45 179.41 3g6e h TYR 57 N 0.23 0.00 0.02 1.91 -1.99 -1.17 -2.57 116.97 113.39 3g6e h TYR 57 Ca 0.06 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.58 3g6e h TYR 57 Cb 0.59 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.31 3g6e h TYR 57 CO 0.06 0.37 -0.93 0.93 -0.00 0.00 0.00 178.16 178.59 3g6e h GLU 58 N 0.00 0.12 -0.35 4.88 5.08 -0.52 -3.00 114.58 120.79 3g6e h GLU 58 Ca -0.00 -0.15 -0.15 0.00 -1.00 0.00 0.00 59.36 58.05 3g6e h GLU 58 Cb 0.89 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 3g6e h GLU 58 CO 0.05 0.96 -0.39 -0.22 -1.00 0.00 0.00 179.01 178.41 3g6e h LYS 59 N 0.06 0.86 0.00 2.33 1.63 -1.19 -2.06 116.57 118.20 3g6e h LYS 59 Ca -0.04 -0.45 -0.03 0.00 -0.85 0.00 0.00 60.65 59.28 3g6e h LYS 59 Cb 1.60 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 33.24 3g6e h LYS 59 CO 0.14 1.09 -0.14 0.00 -3.45 0.00 0.00 179.45 177.09 3g6e h ARG 60 N 0.70 0.00 0.23 1.90 3.08 -1.46 -0.45 114.38 118.39 3g6e h ARG 60 Ca 0.06 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.78 3g6e h ARG 60 Cb 0.96 0.00 0.03 0.00 0.08 0.00 0.00 29.97 31.04 3g6e h ARG 60 CO 0.09 0.14 -1.51 0.28 -1.07 0.00 0.00 179.97 177.90 3g6e h VAL 61 N 0.00 1.20 0.00 2.04 2.07 -1.36 -3.33 116.25 116.87 3g6e h VAL 61 Ca -0.00 -2.64 0.00 0.00 0.82 0.00 0.00 66.70 64.88 3g6e h VAL 61 Cb 0.40 2.98 0.00 0.00 -1.52 0.00 0.00 31.29 33.15 3g6e h VAL 61 CO 0.02 0.81 0.00 0.44 0.02 0.00 0.00 177.57 178.86 3g6e h ASP 62 N 0.09 0.00 -3.68 0.57 3.32 -0.69 -3.45 116.42 112.58 3g6e h ASP 62 Ca -0.27 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.27 3g6e h ASP 62 Cb 2.12 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.66 3g6e h ASP 62 CO 0.24 0.00 0.42 -0.63 -1.72 0.00 0.00 179.24 177.56 3g6e s ILE 63 N -3.36 3.91 0.00 0.35 1.01 -0.24 -4.98 121.20 117.89 3g6e s ILE 63 Ca 0.05 1.78 0.00 0.00 0.00 0.00 0.00 60.65 62.48 3g6e s ILE 63 Cb 0.08 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.42 3g6e s ILE 63 CO 0.58 0.37 0.00 0.61 0.00 0.00 0.00 174.94 176.50 3g6e n GLY 64 N 1.68 1.55 0.00 6.18 0.00 -1.26 -4.62 105.19 108.72 3g6e n GLY 64 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.71 3g6e n GLY 64 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3g6e n ASN 65 N 0.00 0.00 0.07 1.61 0.23 -1.26 -4.97 115.26 110.94 3g6e n ASN 65 Ca 0.00 0.00 -0.08 0.00 -0.53 0.00 0.00 54.58 53.97 3g6e n ASN 65 Cb 0.00 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 37.74 3g6e n ASN 65 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3g6e h ASP 66 N 0.00 0.34 -0.15 0.53 3.32 -2.04 -2.93 116.42 115.49 3g6e h ASP 66 Ca 0.00 -0.23 -0.12 0.00 0.02 0.00 0.00 57.03 56.70 3g6e h ASP 66 Cb 0.00 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3g6e h ASP 66 CO 0.00 0.97 -0.30 -1.13 -1.72 0.00 0.00 179.24 177.06 3g6e h ASN 67 N 0.19 0.65 -4.50 6.45 -0.73 -2.05 -3.49 115.58 112.10 3g6e h ASN 67 Ca -0.03 -0.25 0.00 0.00 1.87 0.00 0.00 56.30 57.89 3g6e h ASN 67 Cb 1.32 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 39.73 3g6e h ASN 67 CO 0.12 0.92 0.00 0.61 -0.37 0.00 0.00 177.43 178.71 3g6e n GLY 68 N -0.18 -0.25 2.60 1.57 0.00 -1.11 -5.00 105.19 102.82 3g6e n GLY 68 Ca -0.01 -1.57 -0.24 0.00 0.00 0.00 0.00 46.02 44.21 3g6e n GLY 68 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3g6e s TYR 69 N -3.00 0.21 -0.72 1.61 5.04 -1.26 -4.78 117.35 114.46 3g6e s TYR 69 Ca 0.00 -1.13 -0.27 0.00 -2.44 0.00 0.00 57.07 53.23 3g6e s TYR 69 Cb 0.00 -0.69 0.03 0.00 0.35 0.00 0.00 41.96 41.65 3g6e s TYR 69 CO 0.00 -0.89 1.29 0.12 -1.34 0.00 0.00 175.55 174.74 3g6e s PHE 70 N 1.43 2.29 -0.21 4.97 5.36 -1.26 -4.81 117.98 125.74 3g6e s PHE 70 Ca 0.16 0.03 -0.05 0.00 -0.96 0.00 0.00 56.93 56.10 3g6e s PHE 70 Cb -0.19 -4.60 -0.02 0.00 -0.34 0.00 0.00 43.02 37.87 3g6e s PHE 70 CO -0.08 -2.04 0.01 -0.47 -1.46 0.00 0.00 175.22 171.18 3g6e s TYR 71 N 5.79 3.05 0.32 10.12 5.04 -1.26 -5.09 117.35 135.31 3g6e s TYR 71 Ca 0.37 -0.46 -0.29 0.00 -2.44 0.00 0.00 57.07 54.25 3g6e s TYR 71 Cb -0.08 -2.11 -0.10 0.00 0.35 0.00 0.00 41.96 40.02 3g6e s TYR 71 CO 0.16 -0.26 1.30 -1.25 -1.34 0.00 0.00 175.55 174.16 3g6e s PRO 72 N 1.10 4.38 -0.18 4.97 0.04 -1.26 -4.90 135.00 139.15 3g6e s PRO 72 Ca 0.03 2.18 0.13 0.00 0.04 0.00 0.00 61.00 63.38 3g6e s PRO 72 Cb -0.14 -3.09 -0.23 0.00 0.04 0.00 0.00 34.50 31.07 3g6e s PRO 72 CO 0.02 -0.17 0.14 1.63 0.04 0.00 0.00 177.00 178.66 3g6e n LYS 73 N 1.02 0.68 -2.31 4.56 5.02 -1.26 -4.63 118.16 121.23 3g6e n LYS 73 Ca 0.01 0.08 -0.33 0.00 -2.02 0.00 0.00 58.31 56.05 3g6e n LYS 73 Cb 0.42 -1.58 -0.01 0.00 -0.02 0.00 0.00 35.03 33.84 3g6e n LYS 73 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3g6e s ARG 74 N -2.52 3.60 0.26 1.97 0.52 -1.26 -4.29 118.95 117.23 3g6e s ARG 74 Ca -0.13 1.26 0.24 0.00 -0.52 0.00 0.00 55.73 56.57 3g6e s ARG 74 Cb 0.07 -2.07 0.98 0.00 0.52 0.00 0.00 34.95 34.45 3g6e s ARG 74 CO 0.79 -0.59 1.72 -0.35 0.02 0.00 0.00 175.30 176.90 3g6e n PRO 75 N -1.49 0.21 0.48 3.54 -0.04 -1.26 -1.73 135.00 134.70 3g6e n PRO 75 Ca 0.09 0.41 -0.19 0.00 -0.04 0.00 0.00 63.50 63.77 3g6e n PRO 75 Cb 0.53 -1.88 -0.09 0.00 -0.04 0.00 0.00 33.50 32.02 3g6e n PRO 75 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 3g6e h ASP 76 N 0.00 -1.04 0.81 3.54 3.58 -1.92 -2.91 116.42 118.48 3g6e h ASP 76 Ca 0.00 0.04 -0.17 0.00 0.42 0.00 0.00 57.03 57.32 3g6e h ASP 76 Cb 0.40 0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.69 3g6e h ASP 76 CO 0.00 -0.70 -0.80 1.23 -2.88 0.00 0.00 179.24 176.10 3g6e h GLY 77 N -1.33 0.00 1.01 -0.78 0.00 -1.89 -3.07 103.07 97.01 3g6e h GLY 77 Ca -0.13 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 3g6e h GLY 77 CO 0.21 0.00 0.36 -2.22 0.00 0.00 0.00 176.54 174.89 3g6e h ILE 78 N 0.00 1.23 -0.22 2.60 2.04 -1.37 -0.04 117.51 121.75 3g6e h ILE 78 Ca -0.01 -0.62 -0.15 0.00 1.00 0.00 0.00 64.86 65.08 3g6e h ILE 78 Cb 1.42 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 3g6e h ILE 78 CO 0.10 0.26 -0.49 0.15 0.00 0.00 0.00 178.15 178.18 3g6e h PHE 79 N 1.00 0.72 -0.36 1.37 -0.00 -1.56 -1.63 116.94 116.47 3g6e h PHE 79 Ca 0.25 -0.24 -0.10 0.00 -0.00 0.00 0.00 57.97 57.89 3g6e h PHE 79 Cb 0.09 -0.14 -0.02 0.00 -0.00 0.00 0.00 35.95 35.88 3g6e h PHE 79 CO 0.00 0.96 -0.17 -0.22 -0.00 0.00 0.00 178.31 178.88 3g6e h LYS 80 N 0.46 0.66 -0.10 1.11 1.63 -1.37 -2.21 116.57 116.76 3g6e h LYS 80 Ca 0.02 -0.23 -0.19 0.00 -0.85 0.00 0.00 60.65 59.40 3g6e h LYS 80 Cb 1.03 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.61 3g6e h LYS 80 CO 0.10 0.80 -0.73 -0.09 -3.45 0.00 0.00 179.45 176.08 3g6e h ARG 81 N 0.59 0.49 -0.58 1.90 9.65 -0.80 -2.23 114.38 123.40 3g6e h ARG 81 Ca 0.09 -0.39 -0.05 0.00 -1.10 0.00 0.00 59.98 58.54 3g6e h ARG 81 Cb 0.63 0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 29.26 3g6e h ARG 81 CO 0.04 1.02 0.18 1.15 2.80 0.00 0.00 179.97 185.16 3g6e h THR 82 N 0.33 1.23 -0.31 0.20 2.02 -1.02 -2.16 112.91 113.20 3g6e h THR 82 Ca -0.03 -0.78 -0.16 0.00 0.77 0.00 0.00 66.41 66.21 3g6e h THR 82 Cb 1.31 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 68.31 3g6e h THR 82 CO 0.13 0.30 -0.45 0.40 0.37 0.00 0.00 175.52 176.27 3g6e h ILE 83 N 0.85 1.28 -0.03 3.11 2.04 -1.29 -3.11 117.51 120.36 3g6e h ILE 83 Ca 0.19 -1.63 -0.02 0.00 1.00 0.00 0.00 64.86 64.40 3g6e h ILE 83 Cb 0.25 1.57 -0.00 0.00 -0.74 0.00 0.00 36.82 37.90 3g6e h ILE 83 CO -0.01 0.53 -0.08 -0.09 0.00 0.00 0.00 178.15 178.51 3g6e h ARG 84 N 0.63 0.05 0.00 2.37 2.43 -0.97 -0.97 114.38 117.92 3g6e h ARG 84 Ca 0.03 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3g6e h ARG 84 Cb 1.05 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 3g6e h ARG 84 CO 0.10 0.13 0.00 0.41 -1.51 0.00 0.00 179.97 179.11 3g6e n GLY 85 N -1.24 -1.32 0.68 2.80 0.00 -0.85 -2.28 105.19 102.98 3g6e n GLY 85 Ca -0.02 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 45.99 3g6e n GLY 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3g6e n MET 86 N -1.52 2.04 -4.72 1.61 2.81 -0.39 -4.97 117.12 111.99 3g6e n MET 86 Ca 0.06 -1.82 -0.24 0.00 -1.81 0.00 0.00 57.70 53.89 3g6e n MET 86 Cb 0.28 -1.30 -0.15 0.00 -0.71 0.00 0.00 33.22 31.34 3g6e n MET 86 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3g6e s LEU 87 N -1.05 2.05 -1.59 4.03 1.43 -0.97 -4.90 118.68 117.69 3g6e s LEU 87 Ca 0.23 -0.33 -0.11 0.00 -1.03 0.00 0.00 54.13 52.90 3g6e s LEU 87 Cb 0.13 -0.82 -0.06 0.00 0.03 0.00 0.00 46.19 45.47 3g6e s LEU 87 CO 0.18 0.18 2.82 -0.81 0.23 0.00 0.00 176.35 178.95 3g6e n PRO 88 N 2.54 3.59 0.15 1.29 -0.04 -1.26 -4.76 135.00 136.51 3g6e n PRO 88 Ca -0.15 -2.31 0.06 0.00 -0.04 0.00 0.00 63.50 61.05 3g6e n PRO 88 Cb 0.54 -2.88 0.29 0.00 -0.04 0.00 0.00 33.50 31.42 3g6e n PRO 88 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3g6e n HIS 89 N 3.96 0.37 0.06 0.54 1.44 -1.26 -1.21 115.22 119.11 3g6e n HIS 89 Ca 0.74 0.19 -0.03 0.00 -2.01 0.00 0.00 57.72 56.61 3g6e n HIS 89 Cb 0.26 -0.58 -0.08 0.00 0.12 0.00 0.00 29.99 29.72 3g6e n HIS 89 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 3g6e h LYS 90 N 0.00 0.00 -7.01 -1.40 6.56 -1.90 -3.35 116.57 109.46 3g6e h LYS 90 Ca 0.00 0.00 -0.49 0.00 -1.06 0.00 0.00 60.65 59.10 3g6e h LYS 90 Cb 0.67 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.34 3g6e h LYS 90 CO 0.00 0.58 0.24 0.15 -2.06 0.00 0.00 179.45 178.36 3g6e s LYS 91 N -2.80 3.83 0.13 3.15 1.02 -0.35 -4.91 119.74 119.81 3g6e s LYS 91 Ca -0.00 0.67 -0.22 0.00 0.02 0.00 0.00 55.97 56.43 3g6e s LYS 91 Cb 0.09 -2.27 -0.01 0.00 -0.52 0.00 0.00 37.83 35.11 3g6e s LYS 91 CO 0.80 -0.16 1.66 0.37 -0.92 0.00 0.00 175.35 177.10 3g6e h GLN 92 N 1.01 -0.18 -0.60 1.68 4.15 -1.90 0.38 115.11 119.65 3g6e h GLN 92 Ca -0.47 0.01 -0.06 0.00 0.77 0.00 0.00 58.65 58.90 3g6e h GLN 92 Cb 1.19 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.89 3g6e h GLN 92 CO 0.63 -0.12 0.13 -0.09 -1.93 0.00 0.00 178.83 177.45 3g6e h ARG 93 N -0.19 0.94 -0.25 1.69 2.43 -1.95 -2.12 114.38 114.94 3g6e h ARG 93 Ca 0.10 -0.21 -0.16 0.00 -0.81 0.00 0.00 59.98 58.90 3g6e h ARG 93 Cb 0.34 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3g6e h ARG 93 CO -0.26 0.85 -0.49 0.78 -1.51 0.00 0.00 179.97 179.33 3g6e h GLY 94 N 1.02 0.73 1.27 2.80 0.00 -1.61 -2.26 103.07 105.03 3g6e h GLY 94 Ca 0.19 -0.81 -0.16 0.00 0.00 0.00 0.00 47.33 46.55 3g6e h GLY 94 CO 0.00 0.73 -0.45 -0.09 0.00 0.00 0.00 176.54 176.73 3g6e h ARG 95 N 0.53 0.78 -0.51 4.80 2.43 -0.72 -1.85 114.38 119.84 3g6e h ARG 95 Ca 0.02 -0.44 -0.07 0.00 -0.81 0.00 0.00 59.98 58.68 3g6e h ARG 95 Cb 1.05 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 3g6e h ARG 95 CO 0.10 1.07 0.03 0.93 -1.51 0.00 0.00 179.97 180.59 3g6e h GLU 96 N 0.63 0.84 -0.35 0.20 5.08 -1.34 0.02 114.58 119.65 3g6e h GLU 96 Ca 0.04 -0.22 -0.08 0.00 -1.00 0.00 0.00 59.36 58.09 3g6e h GLU 96 Cb 1.02 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 3g6e h GLU 96 CO 0.10 0.82 -0.11 0.00 -1.00 0.00 0.00 179.01 178.82 3g6e h ALA 97 N 1.24 0.49 -0.48 3.43 0.00 -1.29 -2.76 119.26 119.89 3g6e h ALA 97 Ca 0.15 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 3g6e h ALA 97 Cb 0.44 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3g6e h ALA 97 CO 0.02 0.36 -0.12 0.35 0.00 0.00 0.00 179.25 179.86 3g6e h PHE 98 N 0.48 1.04 0.00 0.00 3.57 -1.08 -2.94 116.94 118.01 3g6e h PHE 98 Ca 0.09 -0.23 0.00 0.00 3.53 0.00 0.00 57.97 61.36 3g6e h PHE 98 Cb 0.63 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.12 3g6e h PHE 98 CO 0.05 1.01 0.00 0.39 -2.23 0.00 0.00 178.31 177.53 3g6e n GLU 99 N -4.22 0.05 -0.59 1.11 1.02 -0.03 -2.05 120.64 115.93 3g6e n GLU 99 Ca 0.00 0.21 0.10 0.00 -0.02 0.00 0.00 57.16 57.45 3g6e n GLU 99 Cb 0.40 -1.58 0.36 0.00 -0.02 0.00 0.00 31.44 30.59 3g6e n GLU 99 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3g6e n SER 100 N -1.66 4.70 -4.17 1.62 3.41 -1.05 -4.84 113.62 111.63 3g6e n SER 100 Ca 0.04 -2.40 -0.28 0.00 -0.26 0.00 0.00 58.87 55.97 3g6e n SER 100 Cb 0.24 -0.57 -0.16 0.00 -0.26 0.00 0.00 64.21 63.46 3g6e n SER 100 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3g6e s VAL 101 N -1.76 1.63 -0.00 -3.33 1.01 -0.87 -2.15 120.40 114.93 3g6e s VAL 101 Ca 0.51 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.68 3g6e s VAL 101 Cb 0.32 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 35.30 3g6e s VAL 101 CO 0.26 0.46 -0.02 -0.13 0.00 0.00 0.00 175.10 175.67 3g6e s ARG 102 N 0.09 0.17 -0.09 2.72 0.52 -1.01 -4.97 118.95 116.39 3g6e s ARG 102 Ca -0.07 -0.05 -0.01 0.00 -0.52 0.00 0.00 55.73 55.07 3g6e s ARG 102 Cb -0.13 -0.18 -0.03 0.00 0.52 0.00 0.00 34.95 35.12 3g6e s ARG 102 CO 0.04 0.02 -0.01 0.08 0.02 0.00 0.00 175.30 175.45 3g6e s VAL 103 N 0.06 4.17 0.11 3.52 1.01 -1.26 -1.38 120.40 126.62 3g6e s VAL 103 Ca -0.00 -0.30 0.08 0.00 0.00 0.00 0.00 61.98 61.76 3g6e s VAL 103 Cb -0.02 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 3g6e s VAL 103 CO -0.00 0.60 -0.20 -0.31 0.00 0.00 0.00 175.10 175.18 3g6e s TYR 104 N -0.78 1.77 -0.34 5.22 1.51 0.64 -4.95 117.35 120.41 3g6e s TYR 104 Ca 0.12 -0.42 -0.20 0.00 -1.01 0.00 0.00 57.07 55.55 3g6e s TYR 104 Cb -0.11 -0.96 -0.00 0.00 -0.11 0.00 0.00 41.96 40.77 3g6e s TYR 104 CO 0.02 0.21 0.63 -0.51 -1.11 0.00 0.00 175.55 174.78 3g6e s LEU 105 N -1.96 4.22 0.00 -1.29 1.43 -1.26 -2.44 118.68 117.38 3g6e s LEU 105 Ca 0.07 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 3g6e s LEU 105 Cb -0.10 -2.78 0.00 0.00 0.03 0.00 0.00 46.19 43.34 3g6e s LEU 105 CO 0.04 -0.55 0.00 0.61 0.23 0.00 0.00 176.35 176.68 3g6e n GLY 106 N 4.60 -0.35 2.65 -3.19 0.00 -1.26 -4.71 105.19 102.93 3g6e n GLY 106 Ca -0.01 -1.14 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 3g6e n GLY 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3g6e s ASN 107 N -4.00 3.37 0.00 1.61 3.04 -1.26 -0.52 114.94 117.18 3g6e s ASN 107 Ca 0.00 -1.19 0.28 0.00 0.04 0.00 0.00 52.86 51.99 3g6e s ASN 107 Cb 0.00 -0.54 1.28 0.00 -1.54 0.00 0.00 41.25 40.45 3g6e s ASN 107 CO 0.00 -0.39 1.92 -0.81 -3.04 0.00 0.00 177.10 174.78 3g6e n PRO 108 N 5.09 0.19 -2.99 0.43 -0.04 -1.26 -4.85 135.00 131.56 3g6e n PRO 108 Ca -0.06 0.03 -0.21 0.00 -0.04 0.00 0.00 63.50 63.22 3g6e n PRO 108 Cb 0.44 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.42 3g6e n PRO 108 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3g6e s TYR 109 N -2.80 3.08 -0.00 0.54 1.51 -1.26 -5.03 117.35 113.39 3g6e s TYR 109 Ca 0.19 0.03 -0.03 0.00 -1.01 0.00 0.00 57.07 56.26 3g6e s TYR 109 Cb 0.18 -2.37 -0.28 0.00 -0.11 0.00 0.00 41.96 39.39 3g6e s TYR 109 CO 0.46 -0.43 0.83 -0.44 -1.11 0.00 0.00 175.55 174.87 3g6e h ASP 110 N 0.43 0.39 -4.01 2.29 3.32 -2.06 -3.46 116.42 113.32 3g6e h ASP 110 Ca -0.45 -0.55 -0.50 0.00 0.02 0.00 0.00 57.03 55.55 3g6e h ASP 110 Cb 1.27 -0.13 0.05 0.00 0.22 0.00 0.00 39.33 40.75 3g6e h ASP 110 CO 0.54 1.46 0.46 -1.61 -1.72 0.00 0.00 179.24 178.38 3g6e s GLU 111 N -2.61 3.78 0.21 3.56 2.02 -1.26 -5.04 118.70 119.37 3g6e s GLU 111 Ca -0.10 1.69 -0.14 0.00 0.02 0.00 0.00 54.97 56.45 3g6e s GLU 111 Cb 0.07 -2.37 -0.08 0.00 0.10 0.00 0.00 34.13 31.85 3g6e s GLU 111 CO 0.85 -0.51 0.61 -0.51 0.02 0.00 0.00 175.26 175.72 3g6e s ASP 112 N -1.47 6.80 0.68 -0.19 1.11 -1.26 -5.02 116.67 117.32 3g6e s ASP 112 Ca 0.64 1.13 -0.11 0.00 0.18 0.00 0.00 52.55 54.39 3g6e s ASP 112 Cb -0.26 -2.31 -0.00 0.00 1.07 0.00 0.00 42.92 41.41 3g6e s ASP 112 CO 0.32 -0.01 1.06 -0.83 1.18 0.00 0.00 175.17 176.88 3g6e s GLY 113 N -1.98 1.65 -0.02 0.21 0.00 -1.26 -4.98 107.32 100.94 3g6e s GLY 113 Ca 0.44 -0.10 -0.10 0.00 0.00 0.00 0.00 44.72 44.96 3g6e s GLY 113 CO 0.20 0.22 0.30 -1.83 0.00 0.00 0.00 173.10 171.99 3g6e s GLU 114 N -5.17 3.68 -0.34 2.90 -1.05 0.09 -4.55 118.70 114.26 3g6e s GLU 114 Ca 0.57 0.11 -0.18 0.00 -0.15 0.00 0.00 54.97 55.32 3g6e s GLU 114 Cb -0.12 -3.14 -0.01 0.00 -0.44 0.00 0.00 34.13 30.42 3g6e s GLU 114 CO 0.54 0.68 0.52 0.08 0.95 0.00 0.00 175.26 178.04 3g6e s VAL 115 N -1.17 5.01 0.49 1.83 1.01 -1.26 -1.53 120.40 124.78 3g6e s VAL 115 Ca 0.24 0.41 -0.21 0.00 0.00 0.00 0.00 61.98 62.41 3g6e s VAL 115 Cb -0.14 -3.96 -0.07 0.00 0.00 0.00 0.00 36.38 32.21 3g6e s VAL 115 CO 0.12 -0.20 1.13 -0.76 0.00 0.00 0.00 175.10 175.39 3g6e s LEU 116 N 2.41 3.91 0.22 3.92 1.43 -1.26 -4.99 118.68 124.32 3g6e s LEU 116 Ca 0.19 2.19 -0.31 0.00 -1.03 0.00 0.00 54.13 55.18 3g6e s LEU 116 Cb -0.15 -4.40 -0.10 0.00 0.03 0.00 0.00 46.19 41.57 3g6e s LEU 116 CO 0.13 -0.98 1.48 -1.81 0.23 0.00 0.00 176.35 175.41 3g6e s ASP 117 N -1.60 6.63 0.00 2.29 1.01 -1.26 -3.00 116.67 120.73 3g6e s ASP 117 Ca 0.67 2.64 0.00 0.00 0.71 0.00 0.00 52.55 56.57 3g6e s ASP 117 Cb -0.25 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.07 3g6e s ASP 117 CO 0.29 -0.75 0.00 0.61 0.21 0.00 0.00 175.17 175.54 3g6e n GLY 118 N 2.77 1.43 0.09 0.21 0.00 -1.26 -4.89 105.19 103.53 3g6e n GLY 118 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 3g6e n GLY 118 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3g6e n THR 119 N -2.00 1.61 -1.97 2.61 -2.24 -1.16 -4.95 114.28 106.17 3g6e n THR 119 Ca 0.00 -0.79 -0.40 0.00 -2.27 0.00 0.00 64.05 60.59 3g6e n THR 119 Cb 0.00 -1.05 -0.00 0.00 -2.10 0.00 0.00 70.33 67.18 3g6e n THR 119 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3g6e s SER 120 N -6.11 6.29 -0.14 3.42 0.01 -1.26 0.13 113.70 116.03 3g6e s SER 120 Ca -0.06 2.77 -0.01 0.00 1.31 0.00 0.00 55.95 59.96 3g6e s SER 120 Cb 0.08 -2.65 -0.02 0.00 0.21 0.00 0.00 66.02 63.64 3g6e s SER 120 CO 0.82 -0.88 -0.11 -0.22 0.41 0.00 0.00 173.24 173.26 3g6e s LEU 121 N -2.36 2.80 -0.51 2.44 2.96 -0.00 -4.82 118.68 119.19 3g6e s LEU 121 Ca 0.56 -0.31 -0.25 0.00 -0.22 0.00 0.00 54.13 53.90 3g6e s LEU 121 Cb -0.41 -1.64 0.03 0.00 0.50 0.00 0.00 46.19 44.67 3g6e s LEU 121 CO 0.53 0.15 0.98 -0.62 -1.32 0.00 0.00 176.35 176.06 3g6e s ASP 122 N 0.48 6.44 0.56 3.68 2.15 -1.26 -4.88 116.67 123.83 3g6e s ASP 122 Ca -0.08 -0.04 0.24 0.00 0.43 0.00 0.00 52.55 53.10 3g6e s ASP 122 Cb -0.15 -2.46 1.59 0.00 -0.30 0.00 0.00 42.92 41.59 3g6e s ASP 122 CO 0.04 -1.18 2.21 0.03 -0.17 0.00 0.00 175.17 176.10 3g6e h ARG 123 N 9.23 0.00 0.00 4.34 3.08 -1.95 -1.13 114.38 127.95 3g6e h ARG 123 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.80 3g6e h ARG 123 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 3g6e h ARG 123 CO 1.07 0.00 0.00 -0.07 -1.07 0.00 0.00 179.97 179.90 3g6e h LEU 124 N 0.00 0.00 -0.07 3.04 3.38 -2.06 -3.08 115.31 116.52 3g6e h LEU 124 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3g6e h LEU 124 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3g6e h LEU 124 CO -0.00 0.00 -0.51 -1.20 0.09 0.00 0.00 178.44 176.82 3g6e n SER 125 N -2.41 0.61 -3.96 -0.43 7.64 -0.49 -5.01 113.62 109.57 3g6e n SER 125 Ca 0.03 -0.81 -0.18 0.00 1.01 0.00 0.00 58.87 58.93 3g6e n SER 125 Cb 0.34 0.95 -0.15 0.00 -1.01 0.00 0.00 64.21 64.34 3g6e n SER 125 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3g6e s ASN 126 N -2.02 0.89 0.00 6.43 0.01 -0.85 -5.01 114.94 114.40 3g6e s ASN 126 Ca 0.05 -0.13 0.00 0.00 -0.71 0.00 0.00 52.86 52.06 3g6e s ASN 126 Cb 0.09 -0.22 0.00 0.00 0.41 0.00 0.00 41.25 41.52 3g6e s ASN 126 CO 0.45 0.04 0.00 0.00 -1.51 0.00 0.00 177.10 176.08 3g6e n ILE 127 N 3.29 0.00 -3.06 0.60 3.06 -1.26 -4.69 119.36 117.30 3g6e n ILE 127 Ca -0.18 0.00 -0.45 0.00 -2.50 0.00 0.00 62.75 59.63 3g6e n ILE 127 Cb 0.55 -0.14 -0.02 0.00 0.54 0.00 0.00 39.64 40.58 3g6e n ILE 127 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 3g6e s LYS 128 N -1.88 3.76 0.16 9.51 1.02 -1.26 -4.92 119.74 126.12 3g6e s LYS 128 Ca 0.00 -2.22 -0.24 0.00 0.02 0.00 0.00 55.97 53.53 3g6e s LYS 128 Cb 0.00 -4.81 0.06 0.00 -0.52 0.00 0.00 37.83 32.56 3g6e s LYS 128 CO 0.00 -1.62 0.87 -0.59 -0.92 0.00 0.00 175.35 173.10 3g6e s PHE 129 N 1.54 -0.20 0.06 3.18 -0.12 -1.12 -1.79 117.98 119.53 3g6e s PHE 129 Ca 0.31 -0.11 0.03 0.00 -0.05 0.00 0.00 56.93 57.11 3g6e s PHE 129 Cb -0.06 0.64 -0.03 0.00 -0.63 0.00 0.00 43.02 42.94 3g6e s PHE 129 CO -0.07 -0.88 -0.08 0.08 -0.05 0.00 0.00 175.22 174.21 3g6e s VAL 130 N -3.43 0.65 0.13 -2.49 1.01 -0.45 -4.83 120.40 110.99 3g6e s VAL 130 Ca 0.10 -1.25 -0.16 0.00 0.00 0.00 0.00 61.98 60.67 3g6e s VAL 130 Cb -0.02 -0.85 -0.07 0.00 0.00 0.00 0.00 36.38 35.44 3g6e s VAL 130 CO 0.01 -0.44 0.57 -0.89 0.00 0.00 0.00 175.10 174.35 3g6e s THR 131 N -1.73 4.79 0.47 3.92 2.01 -1.26 -1.70 115.64 122.14 3g6e s THR 131 Ca -0.05 1.00 0.14 0.00 0.31 0.00 0.00 61.69 63.09 3g6e s THR 131 Cb -0.08 -3.80 0.30 0.00 0.01 0.00 0.00 72.50 68.94 3g6e s THR 131 CO -0.00 0.33 2.06 -0.07 -0.69 0.00 0.00 174.62 176.25 3g6e h LEU 132 N 3.84 0.23 -0.93 4.42 3.38 -0.78 -1.91 115.31 123.56 3g6e h LEU 132 Ca -0.49 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.37 3g6e h LEU 132 Cb 1.20 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 3g6e h LEU 132 CO 0.65 0.15 -0.46 1.23 0.09 0.00 0.00 178.44 180.11 3g6e h GLY 133 N 0.26 0.19 1.79 0.83 0.00 -1.46 -2.39 103.07 102.29 3g6e h GLY 133 Ca 0.15 -0.19 -0.12 0.00 0.00 0.00 0.00 47.33 47.18 3g6e h GLY 133 CO -0.03 0.17 -0.46 0.83 0.00 0.00 0.00 176.54 177.05 3g6e h GLU 134 N 0.14 0.23 -0.18 4.80 5.08 -1.62 -1.72 114.58 121.31 3g6e h GLU 134 Ca 0.01 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.17 3g6e h GLU 134 Cb 0.86 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 3g6e h GLU 134 CO 0.07 0.64 -0.21 0.82 -1.00 0.00 0.00 179.01 179.33 3g6e h ILE 135 N 0.19 1.34 -0.31 3.13 2.04 -1.33 -2.93 117.51 119.65 3g6e h ILE 135 Ca 0.01 -1.39 -0.03 0.00 1.00 0.00 0.00 64.86 64.44 3g6e h ILE 135 Cb 0.88 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.78 3g6e h ILE 135 CO 0.07 0.42 0.05 0.28 0.00 0.00 0.00 178.15 178.97 3g6e h SER 136 N 0.11 0.41 0.14 1.72 0.02 -1.22 -0.42 113.55 114.31 3g6e h SER 136 Ca 0.02 -0.06 -0.16 0.00 -0.84 0.00 0.00 61.79 60.75 3g6e h SER 136 Cb 0.76 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 3g6e h SER 136 CO 0.05 0.44 -0.61 -0.33 -1.14 0.00 0.00 176.83 175.25 3g6e h GLU 137 N 0.44 0.46 -0.03 3.45 5.08 -1.32 -0.47 114.58 122.19 3g6e h GLU 137 Ca 0.10 -0.32 -0.16 0.00 -1.00 0.00 0.00 59.36 57.98 3g6e h GLU 137 Cb 0.22 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3g6e h GLU 137 CO 0.00 0.93 -0.72 1.15 -1.00 0.00 0.00 179.01 179.37 3g6e h THR 138 N 0.34 1.44 0.00 1.13 2.02 -1.22 -2.95 112.91 113.68 3g6e h THR 138 Ca -0.01 -2.28 -0.00 0.00 0.77 0.00 0.00 66.41 64.89 3g6e h THR 138 Cb 1.15 2.22 -0.00 0.00 -1.74 0.00 0.00 68.15 69.78 3g6e h THR 138 CO 0.11 0.67 -0.01 -0.07 0.37 0.00 0.00 175.52 176.58 3g6e h LEU 139 N 0.12 0.00 0.00 2.58 3.38 -0.96 -3.47 115.31 116.96 3g6e h LEU 139 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3g6e h LEU 139 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3g6e h LEU 139 CO 0.11 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.26 3g6e n GLY 140 N 0.26 0.94 3.76 0.83 0.00 -0.97 -5.07 105.19 104.94 3g6e n GLY 140 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 3g6e n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g6e s ALA 141 N -2.00 2.56 -0.26 4.61 0.00 -0.22 -4.98 121.76 121.47 3g6e s ALA 141 Ca 0.00 0.84 -0.27 0.00 0.00 0.00 0.00 51.96 52.53 3g6e s ALA 141 Cb 0.00 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.74 3g6e s ALA 141 CO 0.00 -1.08 0.98 1.21 0.00 0.00 0.00 175.76 176.87 3g6e s ASN 142 N -1.88 6.95 -0.61 0.00 3.04 -1.26 -4.61 114.94 116.57 3g6e s ASN 142 Ca 0.73 1.14 -0.26 0.00 0.04 0.00 0.00 52.86 54.51 3g6e s ASN 142 Cb -0.26 -2.51 -0.04 0.00 -1.54 0.00 0.00 41.25 36.91 3g6e s ASN 142 CO 0.33 -0.69 2.04 -0.75 -3.04 0.00 0.00 177.10 174.99 3g6e s LYS 143 N 3.22 2.44 -0.27 0.43 2.20 -1.26 -4.79 119.74 121.71 3g6e s LYS 143 Ca 0.41 0.75 0.10 0.00 -0.36 0.00 0.00 55.97 56.87 3g6e s LYS 143 Cb -0.14 -4.51 0.49 0.00 -1.51 0.00 0.00 37.83 32.16 3g6e s LYS 143 CO 0.09 -3.00 1.42 -2.37 -0.36 0.00 0.00 175.35 171.14 3g6e n THR 144 N 7.54 2.48 -0.56 3.43 5.66 -1.26 -5.23 114.28 126.33 3g6e n THR 144 Ca 0.27 -2.77 0.00 0.00 -3.05 0.00 0.00 64.05 58.50 3g6e n THR 144 Cb 0.52 -0.30 0.00 0.00 -1.55 0.00 0.00 70.33 69.00 3g6e n THR 144 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35