#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gmq n LYS 14 N 0.00 0.00 -5.07 1.61 4.81 -1.25 -4.89 118.16 113.37 2gmq n LYS 14 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.15 2gmq n LYS 14 Cb 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 34.89 2gmq n LYS 14 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2gmq s GLU 15 N 0.00 2.30 -0.03 1.64 2.12 -1.26 0.02 118.70 123.48 2gmq s GLU 15 Ca 0.00 -0.77 0.03 0.00 0.36 0.00 0.00 54.97 54.59 2gmq s GLU 15 Cb 0.00 -1.92 0.00 0.00 0.26 0.00 0.00 34.13 32.47 2gmq s GLU 15 CO 0.00 0.28 -0.11 -1.50 -0.54 0.00 0.00 175.26 173.39 2gmq s ILE 16 N 0.03 0.97 -0.03 -3.70 2.07 -0.36 -5.00 121.20 115.18 2gmq s ILE 16 Ca -0.06 -0.46 -0.18 0.00 -1.41 0.00 0.00 60.65 58.53 2gmq s ILE 16 Cb -0.14 -0.86 -0.05 0.00 0.13 0.00 0.00 42.46 41.54 2gmq s ILE 16 CO 0.04 0.30 0.52 0.00 -1.91 0.00 0.00 174.94 173.88 2gmq s ALA 17 N 0.16 3.54 -0.05 1.50 0.00 -1.26 -0.40 121.76 125.26 2gmq s ALA 17 Ca -0.04 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 51.86 2gmq s ALA 17 Cb -0.10 -2.63 0.02 0.00 0.00 0.00 0.00 23.12 20.41 2gmq s ALA 17 CO 0.01 0.21 -0.07 0.42 0.00 0.00 0.00 175.76 176.34 2gmq s ILE 18 N -0.26 0.69 0.20 0.00 1.01 -0.44 -4.89 121.20 117.50 2gmq s ILE 18 Ca 0.28 -0.22 -0.32 0.00 0.00 0.00 0.00 60.65 60.39 2gmq s ILE 18 Cb -0.17 -0.67 -0.11 0.00 0.01 0.00 0.00 42.46 41.51 2gmq s ILE 18 CO 0.15 0.25 1.66 0.00 0.00 0.00 0.00 174.94 177.00 2gmq s GLN 19 N 0.77 4.16 0.41 2.79 -2.07 -1.26 -1.67 119.66 122.79 2gmq s GLN 19 Ca -0.12 2.51 0.20 0.00 -1.82 0.00 0.00 55.36 56.13 2gmq s GLN 19 Cb -0.14 -3.10 1.14 0.00 -1.09 0.00 0.00 33.01 29.81 2gmq s GLN 19 CO 0.01 -0.69 1.78 1.49 -1.32 0.00 0.00 175.29 176.56 2gmq h GLU 20 N 6.68 0.35 0.00 9.60 4.22 -0.83 -1.35 114.58 133.25 2gmq h GLU 20 Ca -0.43 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 58.99 2gmq h GLU 20 Cb 1.20 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2gmq h GLU 20 CO 0.93 0.23 0.00 1.57 -2.18 0.00 0.00 179.01 179.56 2gmq h LYS 21 N 0.36 0.00 -0.35 1.92 2.10 -1.91 -1.45 116.57 117.25 2gmq h LYS 21 Ca 0.58 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.23 2gmq h LYS 21 Cb 1.53 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.86 2gmq h LYS 21 CO -0.26 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 176.94 2gmq n ASP 22 N -2.29 2.30 -4.33 7.07 8.00 -0.51 -4.94 116.55 121.85 2gmq n ASP 22 Ca 0.00 -1.91 -0.31 0.00 0.71 0.00 0.00 54.79 53.28 2gmq n ASP 22 Cb 0.14 -0.23 -0.16 0.00 -0.02 0.00 0.00 41.12 40.85 2gmq n ASP 22 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2gmq s LEU 23 N -1.24 2.13 -0.31 0.64 1.43 -0.55 -0.55 118.68 120.23 2gmq s LEU 23 Ca 0.32 -0.45 -0.13 0.00 -1.03 0.00 0.00 54.13 52.84 2gmq s LEU 23 Cb 0.17 -1.36 -0.03 0.00 0.03 0.00 0.00 46.19 45.00 2gmq s LEU 23 CO 0.24 0.32 0.27 -0.89 0.23 0.00 0.00 176.35 176.52 2gmq s THR 24 N -0.63 5.25 -0.15 5.49 2.01 0.19 -4.89 115.64 122.91 2gmq s THR 24 Ca 0.10 0.11 -0.12 0.00 0.31 0.00 0.00 61.69 62.10 2gmq s THR 24 Cb -0.10 -3.67 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 2gmq s THR 24 CO -0.01 0.09 0.23 -0.76 -0.69 0.00 0.00 174.62 173.48 2gmq s LEU 25 N 1.86 4.28 -0.30 4.42 1.43 -1.26 -1.27 118.68 127.84 2gmq s LEU 25 Ca 0.09 0.47 -0.06 0.00 -1.03 0.00 0.00 54.13 53.60 2gmq s LEU 25 Cb -0.16 -2.27 0.02 0.00 0.03 0.00 0.00 46.19 43.81 2gmq s LEU 25 CO 0.11 0.19 0.06 -1.58 0.23 0.00 0.00 176.35 175.36 2gmq s GLN 26 N 0.06 2.91 -0.16 1.70 0.74 -0.08 -5.02 119.66 119.80 2gmq s GLN 26 Ca 0.15 -0.97 -0.06 0.00 0.05 0.00 0.00 55.36 54.52 2gmq s GLN 26 Cb -0.13 -3.32 -0.04 0.00 1.10 0.00 0.00 33.01 30.63 2gmq s GLN 26 CO 0.03 -0.49 0.05 -1.58 -0.55 0.00 0.00 175.29 172.75 2gmq s TRP 27 N 1.44 3.24 0.04 1.67 0.52 -1.26 -1.18 118.94 123.41 2gmq s TRP 27 Ca 0.01 0.08 -0.32 0.00 0.02 0.00 0.00 56.10 55.88 2gmq s TRP 27 Cb -0.18 -2.02 -0.11 0.00 -1.15 0.00 0.00 33.47 30.01 2gmq s TRP 27 CO 0.01 0.21 1.86 -2.13 0.02 0.00 0.00 176.95 176.92 2gmq n ARG 28 N 3.27 2.56 -1.52 4.98 0.63 0.40 -0.50 116.66 126.49 2gmq n ARG 28 Ca -0.17 0.94 -0.18 0.00 -0.92 0.00 0.00 57.85 57.52 2gmq n ARG 28 Cb 0.53 -2.82 -0.08 0.00 0.45 0.00 0.00 32.46 30.54 2gmq n ARG 28 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2gmq n GLY 29 N 4.28 1.75 4.65 5.14 0.00 -1.26 -0.47 105.19 119.28 2gmq n GLY 29 Ca 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2gmq n GLY 29 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2gmq n ASN 30 N -0.93 0.00 0.00 1.61 3.02 0.34 -4.53 115.26 114.77 2gmq n ASN 30 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 2gmq n ASN 30 Cb 0.59 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 2gmq n ASN 30 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2gmq n THR 31 N -1.40 0.00 0.00 3.41 -2.24 -1.16 -4.78 114.28 108.11 2gmq n THR 31 Ca 0.00 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2gmq n THR 31 Cb 0.00 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 2gmq n THR 31 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gmq n GLY 32 N 0.32 1.36 3.77 3.38 0.00 0.38 -3.36 105.19 111.03 2gmq n GLY 32 Ca 0.00 -1.18 -0.39 0.00 0.00 0.00 0.00 46.02 44.45 2gmq n GLY 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2gmq s LYS 33 N 3.55 3.89 -0.21 1.61 2.20 -1.26 -1.52 119.74 128.00 2gmq s LYS 33 Ca 0.00 2.00 -0.29 0.00 -0.36 0.00 0.00 55.97 57.32 2gmq s LYS 33 Cb 0.00 -2.64 -0.00 0.00 -1.51 0.00 0.00 37.83 33.68 2gmq s LYS 33 CO 0.00 -0.50 1.16 -1.17 -0.36 0.00 0.00 175.35 174.47 2gmq s LEU 34 N -2.63 4.12 -0.27 5.43 2.96 0.21 -0.46 118.68 128.04 2gmq s LEU 34 Ca 0.59 1.51 -0.11 0.00 -0.22 0.00 0.00 54.13 55.90 2gmq s LEU 34 Cb -0.34 -3.54 -0.14 0.00 0.50 0.00 0.00 46.19 42.67 2gmq s LEU 34 CO 0.43 -0.74 -0.27 0.52 -1.32 0.00 0.00 176.35 174.97 2gmq n VAL 35 N 5.40 1.53 -3.53 1.68 0.31 -0.32 -4.57 118.33 118.83 2gmq n VAL 35 Ca 0.13 -0.41 -0.11 0.00 -0.01 0.00 0.00 64.34 63.94 2gmq n VAL 35 Cb 0.46 -1.78 -0.03 0.00 -0.91 0.00 0.00 33.84 31.57 2gmq n VAL 35 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 2gmq s LYS 36 N -2.50 1.16 0.02 5.55 -2.85 -1.21 -0.93 119.74 118.98 2gmq s LYS 36 Ca -0.37 -0.59 0.05 0.00 -1.00 0.00 0.00 55.97 54.05 2gmq s LYS 36 Cb 0.13 0.52 -0.02 0.00 -2.06 0.00 0.00 37.83 36.41 2gmq s LYS 36 CO 0.53 -0.48 -0.14 0.14 0.10 0.00 0.00 175.35 175.49 2gmq s VAL 37 N -3.77 1.12 -0.04 1.79 -7.23 -0.53 -0.91 120.40 110.84 2gmq s VAL 37 Ca 0.02 -0.86 0.05 0.00 -1.81 0.00 0.00 61.98 59.38 2gmq s VAL 37 Cb 0.01 -0.98 -0.01 0.00 0.56 0.00 0.00 36.38 35.96 2gmq s VAL 37 CO -0.12 0.12 -0.18 -0.60 -0.31 0.00 0.00 175.10 174.00 2gmq s ARG 38 N -0.84 1.80 0.36 4.82 3.52 -0.40 -0.91 118.95 127.31 2gmq s ARG 38 Ca 0.03 -0.65 -0.27 0.00 -0.13 0.00 0.00 55.73 54.71 2gmq s ARG 38 Cb -0.07 -1.59 -0.09 0.00 -1.56 0.00 0.00 34.95 31.64 2gmq s ARG 38 CO 0.01 0.29 1.26 -0.51 -0.81 0.00 0.00 175.30 175.53 2gmq s LEU 39 N -0.07 4.33 0.79 -0.88 2.01 -0.61 -0.63 118.68 123.61 2gmq s LEU 39 Ca -0.02 2.58 -0.12 0.00 0.01 0.00 0.00 54.13 56.58 2gmq s LEU 39 Cb -0.11 -3.80 0.07 0.00 0.01 0.00 0.00 46.19 42.37 2gmq s LEU 39 CO 0.02 -0.62 1.14 -0.54 1.01 0.00 0.00 176.35 177.35 2gmq s LYS 40 N -2.00 1.93 0.17 1.70 1.02 0.28 -4.78 119.74 118.07 2gmq s LYS 40 Ca 0.52 1.45 -0.13 0.00 0.02 0.00 0.00 55.97 57.84 2gmq s LYS 40 Cb -0.37 -1.84 0.08 0.00 -0.52 0.00 0.00 37.83 35.18 2gmq s LYS 40 CO 0.48 -1.93 1.78 -0.91 -0.92 0.00 0.00 175.35 173.84 2gmq h ASN 41 N -0.99 0.74 -0.15 2.83 4.21 -1.94 -0.32 115.58 119.97 2gmq h ASN 41 Ca -0.45 -0.11 -0.02 0.00 1.21 0.00 0.00 56.30 56.94 2gmq h ASN 41 Cb 1.26 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 38.26 2gmq h ASN 41 CO 0.48 0.64 0.03 0.74 -1.29 0.00 0.00 177.43 178.03 2gmq h THR 42 N 0.79 1.21 -0.79 2.81 2.02 -1.97 -2.63 112.91 114.36 2gmq h THR 42 Ca 0.20 -0.67 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 2gmq h THR 42 Cb 0.07 1.38 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 2gmq h THR 42 CO -0.03 0.20 0.46 -0.09 0.37 0.00 0.00 175.52 176.43 2gmq h ARG 43 N 0.03 1.08 -1.22 6.66 9.65 -1.90 -1.45 114.38 127.23 2gmq h ARG 43 Ca 0.05 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 2gmq h ARG 43 Cb 0.28 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 28.64 2gmq h ARG 43 CO 0.00 0.77 0.00 0.00 2.80 0.00 0.00 179.97 183.55 2gmq n ALA 44 N -2.35 1.40 -0.56 2.80 0.00 -0.14 -4.58 120.51 117.09 2gmq n ALA 44 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2gmq n ALA 44 Cb 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.52 2gmq n ALA 44 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2gmq n GLU 46 N 0.77 -0.71 0.00 0.00 2.13 -0.55 -4.68 120.64 117.60 2gmq n GLU 46 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2gmq n GLU 46 Cb 0.03 -1.33 0.00 0.00 0.27 0.00 0.00 31.44 30.41 2gmq n GLU 46 CO 0.00 0.00 0.00 1.87 -0.41 0.00 0.00 177.13 178.59 2gmq n TRP 48 N -0.46 0.00 -0.14 4.31 -0.00 -1.26 -1.82 117.44 118.07 2gmq n TRP 48 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.50 57.44 2gmq n TRP 48 Cb 0.05 0.00 0.13 0.00 -0.00 0.00 0.00 31.31 31.48 2gmq n TRP 48 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 177.69 179.57 2gmq h TYR 49 N 0.00 0.93 0.00 5.87 0.05 -1.96 -2.93 116.97 118.93 2gmq h TYR 49 Ca 0.00 -0.14 0.00 0.00 0.05 0.00 0.00 58.73 58.64 2gmq h TYR 49 Cb 0.00 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 37.49 2gmq h TYR 49 CO 0.00 0.84 -0.42 0.09 -1.05 0.00 0.00 178.16 177.63 2gmq n ASN 50 N -4.21 0.53 -3.12 3.88 3.02 -0.76 -4.95 115.26 109.66 2gmq n ASN 50 Ca 0.03 0.11 -0.23 0.00 -0.03 0.00 0.00 54.58 54.46 2gmq n ASN 50 Cb 0.31 -0.02 0.03 0.00 -0.61 0.00 0.00 39.78 39.49 2gmq n ASN 50 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2gmq n LYS 51 N -1.83 -4.62 -0.06 3.52 4.76 -1.11 -4.89 118.16 113.93 2gmq n LYS 51 Ca 0.05 0.80 -0.14 0.00 -2.87 0.00 0.00 58.31 56.15 2gmq n LYS 51 Cb 0.39 -5.63 -0.06 0.00 -1.84 0.00 0.00 35.03 27.88 2gmq n LYS 51 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 2gmq h GLN 52 N -1.32 0.48 -5.16 1.97 4.15 -1.88 -3.41 115.11 109.94 2gmq h GLN 52 Ca -0.51 -0.28 -0.49 0.00 0.77 0.00 0.00 58.65 58.14 2gmq h GLN 52 Cb 1.35 0.02 -0.30 0.00 0.21 0.00 0.00 27.48 28.76 2gmq h GLN 52 CO 0.56 0.86 -0.81 0.42 -1.93 0.00 0.00 178.83 177.93 2gmq s ILE 53 N -4.20 1.12 0.15 2.39 1.01 -1.26 -5.05 121.20 115.35 2gmq s ILE 53 Ca -0.13 -0.58 -0.00 0.00 0.00 0.00 0.00 60.65 59.94 2gmq s ILE 53 Cb 0.06 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 2gmq s ILE 53 CO 0.79 0.32 0.04 0.42 0.00 0.00 0.00 174.94 176.51 2gmq s THR 54 N -0.14 0.31 0.31 2.92 -4.23 -1.26 -4.58 115.64 108.98 2gmq s THR 54 Ca 0.02 -1.93 0.03 0.00 -1.18 0.00 0.00 61.69 58.62 2gmq s THR 54 Cb -0.07 -2.07 0.29 0.00 1.34 0.00 0.00 72.50 71.98 2gmq s THR 54 CO 0.00 -0.47 1.89 -0.08 -0.54 0.00 0.00 174.62 175.42 2gmq h GLU 55 N 2.80 0.90 -0.60 3.99 4.81 -2.01 -0.40 114.58 124.07 2gmq h GLU 55 Ca -0.36 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 58.73 2gmq h GLU 55 Cb 1.20 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.35 2gmq h GLU 55 CO 0.61 0.60 0.03 0.93 -0.73 0.00 0.00 179.01 180.44 2gmq h GLU 56 N 0.93 1.02 -0.01 1.92 5.08 -2.03 -3.32 114.58 118.18 2gmq h GLU 56 Ca 0.42 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2gmq h GLU 56 Cb 0.38 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2gmq h GLU 56 CO -0.18 0.98 -0.52 0.27 -1.00 0.00 0.00 179.01 178.56 2gmq n ASN 57 N -4.19 1.28 0.01 1.42 0.23 -0.87 -4.63 115.26 108.51 2gmq n ASN 57 Ca 0.03 -1.14 0.03 0.00 -0.53 0.00 0.00 54.58 52.97 2gmq n ASN 57 Cb 0.32 0.69 0.39 0.00 -2.08 0.00 0.00 39.78 39.10 2gmq n ASN 57 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 2gmq h ILE 58 N 1.08 1.14 0.00 1.53 2.10 -1.19 -0.91 117.51 121.25 2gmq h ILE 58 Ca 0.00 -0.41 0.00 0.00 1.08 0.00 0.00 64.86 65.53 2gmq h ILE 58 Cb 0.49 0.69 0.00 0.00 -1.09 0.00 0.00 36.82 36.91 2gmq h ILE 58 CO 0.00 0.16 0.00 0.00 -1.08 0.00 0.00 178.15 177.23 2gmq n GLN 59 N -4.40 0.93 0.13 2.19 6.02 -1.26 -2.33 117.38 118.67 2gmq n GLN 59 Ca 0.02 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.14 2gmq n GLN 59 Cb 0.13 -1.50 0.22 0.00 1.02 0.00 0.00 30.24 30.11 2gmq n GLN 59 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2gmq h GLU 60 N 0.00 0.00 -6.31 -1.09 4.39 -1.49 -3.45 114.58 106.63 2gmq h GLU 60 Ca 0.00 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.15 2gmq h GLU 60 Cb 0.01 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 2gmq h GLU 60 CO 0.00 0.00 0.81 0.42 -1.16 0.00 0.00 179.01 179.08 2gmq s ILE 61 N -3.19 3.99 -0.04 3.13 1.01 -0.98 -3.94 121.20 121.17 2gmq s ILE 61 Ca 0.07 1.32 0.15 0.00 0.00 0.00 0.00 60.65 62.19 2gmq s ILE 61 Cb 0.10 -3.85 -0.24 0.00 0.01 0.00 0.00 42.46 38.49 2gmq s ILE 61 CO 0.68 -0.03 0.35 0.35 0.00 0.00 0.00 174.94 176.29 2gmq n THR 62 N 4.80 0.00 -3.76 2.92 -2.24 0.10 -4.48 114.28 111.61 2gmq n THR 62 Ca 0.13 -0.34 -0.13 0.00 -2.27 0.00 0.00 64.05 61.43 2gmq n THR 62 Cb 0.45 0.18 -0.14 0.00 -2.10 0.00 0.00 70.33 68.72 2gmq n THR 62 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2gmq s THR 63 N -3.04 -0.04 -0.22 4.28 2.01 -1.09 -1.29 115.64 116.26 2gmq s THR 63 Ca -0.05 0.14 -0.08 0.00 0.31 0.00 0.00 61.69 62.01 2gmq s THR 63 Cb 0.10 -0.24 -0.04 0.00 0.01 0.00 0.00 72.50 72.32 2gmq s THR 63 CO 0.64 0.06 0.09 -0.22 -0.69 0.00 0.00 174.62 174.50 2gmq s LEU 64 N 0.95 3.79 -0.53 4.42 2.96 0.20 -1.23 118.68 129.24 2gmq s LEU 64 Ca -0.07 0.00 -0.17 0.00 -0.22 0.00 0.00 54.13 53.68 2gmq s LEU 64 Cb -0.09 -1.99 0.11 0.00 0.50 0.00 0.00 46.19 44.71 2gmq s LEU 64 CO -0.05 0.08 0.52 0.21 -1.32 0.00 0.00 176.35 175.80 2gmq s ASN 65 N 0.94 6.18 -0.10 3.68 2.47 0.47 -0.20 114.94 128.38 2gmq s ASN 65 Ca 0.05 -1.56 -0.30 0.00 0.42 0.00 0.00 52.86 51.47 2gmq s ASN 65 Cb -0.14 -2.23 -0.01 0.00 -1.45 0.00 0.00 41.25 37.42 2gmq s ASN 65 CO 0.03 -0.86 1.01 -0.63 -3.72 0.00 0.00 177.10 172.93 2gmq s ILE 66 N 1.88 4.77 -0.10 -5.21 1.01 0.29 -1.33 121.20 122.51 2gmq s ILE 66 Ca 0.06 2.03 0.00 0.00 0.00 0.00 0.00 60.65 62.74 2gmq s ILE 66 Cb -0.27 -4.31 -0.02 0.00 0.01 0.00 0.00 42.46 37.87 2gmq s ILE 66 CO 0.05 0.01 -0.10 -0.63 0.00 0.00 0.00 174.94 174.28 2gmq s ILE 67 N 1.95 3.39 -0.29 2.92 -1.09 -0.67 -1.12 121.20 126.29 2gmq s ILE 67 Ca 0.49 -0.57 -0.24 0.00 -2.23 0.00 0.00 60.65 58.10 2gmq s ILE 67 Cb -0.19 -2.41 0.15 0.00 -1.58 0.00 0.00 42.46 38.44 2gmq s ILE 67 CO 0.19 0.55 1.21 -0.75 -1.23 0.00 0.00 174.94 174.90 2gmq s LYS 68 N -0.18 0.30 -1.46 2.79 2.20 -0.61 -0.07 119.74 122.71 2gmq s LYS 68 Ca 0.01 0.37 -0.09 0.00 -0.36 0.00 0.00 55.97 55.90 2gmq s LYS 68 Cb -0.13 0.14 0.04 0.00 -1.51 0.00 0.00 37.83 36.37 2gmq s LYS 68 CO 0.03 -0.04 0.80 0.09 -0.36 0.00 0.00 175.35 175.87 2gmq n ASN 69 N 2.06 -5.43 -0.37 1.43 3.02 -1.26 -0.57 115.26 114.14 2gmq n ASN 69 Ca -0.12 -0.47 -0.05 0.00 -0.03 0.00 0.00 54.58 53.91 2gmq n ASN 69 Cb 0.56 -4.36 -0.02 0.00 -0.61 0.00 0.00 39.78 35.35 2gmq n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gmq n GLY 70 N -1.60 0.65 3.60 7.41 0.00 -1.26 -5.00 105.19 109.00 2gmq n GLY 70 Ca -0.03 -0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 2gmq n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gmq s LYS 71 N -1.88 1.97 -0.02 1.61 1.02 0.27 -5.16 119.74 117.55 2gmq s LYS 71 Ca 0.00 -1.85 -0.02 0.00 0.02 0.00 0.00 55.97 54.12 2gmq s LYS 71 Cb 0.00 -1.82 0.00 0.00 -0.52 0.00 0.00 37.83 35.49 2gmq s LYS 71 CO 0.00 0.11 0.05 0.45 -0.92 0.00 0.00 175.35 175.04 2gmq s SER 72 N -3.68 -0.03 -0.12 2.83 0.15 -1.26 -1.58 113.70 110.01 2gmq s SER 72 Ca 0.34 0.04 -0.04 0.00 0.70 0.00 0.00 55.95 57.00 2gmq s SER 72 Cb 0.02 0.11 0.05 0.00 -1.71 0.00 0.00 66.02 64.49 2gmq s SER 72 CO 0.18 -0.06 0.07 -0.22 1.20 0.00 0.00 173.24 174.42 2gmq s LEU 73 N -0.16 0.33 0.04 3.45 2.96 -0.28 -4.96 118.68 120.07 2gmq s LEU 73 Ca -0.02 -0.37 -0.25 0.00 -0.22 0.00 0.00 54.13 53.27 2gmq s LEU 73 Cb -0.02 -0.23 -0.05 0.00 0.50 0.00 0.00 46.19 46.39 2gmq s LEU 73 CO 0.00 -0.31 0.77 0.00 -1.32 0.00 0.00 176.35 175.49 2gmq s ALA 74 N 2.13 3.36 -0.06 5.97 0.00 -1.26 -0.55 121.76 131.35 2gmq s ALA 74 Ca 0.03 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.28 2gmq s ALA 74 Cb -0.15 -3.01 0.02 0.00 0.00 0.00 0.00 23.12 19.99 2gmq s ALA 74 CO -0.07 0.05 -0.06 -0.51 0.00 0.00 0.00 175.76 175.17 2gmq s LEU 75 N 0.01 1.31 0.40 0.00 1.43 0.73 -4.99 118.68 117.57 2gmq s LEU 75 Ca 0.39 -0.19 -0.25 0.00 -1.03 0.00 0.00 54.13 53.05 2gmq s LEU 75 Cb -0.20 -0.59 -0.08 0.00 0.03 0.00 0.00 46.19 45.34 2gmq s LEU 75 CO 0.23 -0.05 1.13 -1.61 0.23 0.00 0.00 176.35 176.28 2gmq s GLU 76 N 1.06 4.07 0.42 1.70 0.41 -1.26 -0.63 118.70 124.48 2gmq s GLU 76 Ca -0.08 1.74 0.07 0.00 -0.41 0.00 0.00 54.97 56.29 2gmq s GLU 76 Cb -0.14 -2.63 -0.03 0.00 -1.78 0.00 0.00 34.13 29.55 2gmq s GLU 76 CO -0.01 -0.28 0.31 0.14 -0.49 0.00 0.00 175.26 174.93 2gmq s VAL 77 N -1.48 2.45 -0.68 2.63 -7.23 -0.41 0.07 120.40 115.75 2gmq s VAL 77 Ca 0.58 -1.49 -0.18 0.00 -1.81 0.00 0.00 61.98 59.08 2gmq s VAL 77 Cb -0.28 -2.94 0.13 0.00 0.56 0.00 0.00 36.38 33.85 2gmq s VAL 77 CO 0.35 0.00 0.75 -0.31 -0.31 0.00 0.00 175.10 175.58 2gmq s TYR 78 N -2.54 3.19 0.55 2.82 2.02 -0.58 -4.60 117.35 118.21 2gmq s TYR 78 Ca 0.44 -1.26 0.24 0.00 -0.37 0.00 0.00 57.07 56.12 2gmq s TYR 78 Cb -0.00 -3.99 1.45 0.00 -0.40 0.00 0.00 41.96 39.01 2gmq s TYR 78 CO 0.25 -1.23 2.08 -1.35 -1.57 0.00 0.00 175.55 173.73 2gmq h PRO 79 N 8.83 0.00 0.00 -1.71 0.11 -1.88 -1.64 132.00 135.71 2gmq h PRO 79 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 2gmq h PRO 79 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2gmq h PRO 79 CO 1.03 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.21 2gmq n GLU 80 N -4.25 0.38 -0.00 1.05 -0.58 -1.26 -2.75 120.64 113.23 2gmq n GLU 80 Ca 0.03 0.01 0.10 0.00 -0.42 0.00 0.00 57.16 56.88 2gmq n GLU 80 Cb 0.35 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 29.59 2gmq n GLU 80 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2gmq n LYS 81 N -1.31 0.22 -1.77 3.49 5.02 -0.62 -4.97 118.16 118.23 2gmq n LYS 81 Ca 0.13 -0.06 -0.42 0.00 -2.02 0.00 0.00 58.31 55.94 2gmq n LYS 81 Cb 0.24 -1.51 -0.03 0.00 -0.02 0.00 0.00 35.03 33.72 2gmq n LYS 81 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2gmq s SER 82 N -3.51 6.44 0.06 4.39 0.01 -1.11 -4.71 113.70 115.27 2gmq s SER 82 Ca 0.03 2.77 -0.07 0.00 1.31 0.00 0.00 55.95 59.98 2gmq s SER 82 Cb 0.15 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.79 2gmq s SER 82 CO 0.88 -0.96 0.14 0.27 0.41 0.00 0.00 173.24 173.98 2gmq s ILE 83 N 1.85 0.14 0.01 1.44 -4.36 -0.82 -4.84 121.20 114.63 2gmq s ILE 83 Ca 0.76 -1.14 -0.16 0.00 -0.26 0.00 0.00 60.65 59.85 2gmq s ILE 83 Cb -0.47 -1.11 -0.06 0.00 1.25 0.00 0.00 42.46 42.07 2gmq s ILE 83 CO 0.33 -0.63 0.46 -0.31 0.24 0.00 0.00 174.94 175.04 2gmq s TYR 84 N -3.14 3.74 0.18 1.37 1.51 -1.26 -0.49 117.35 119.26 2gmq s TYR 84 Ca -0.01 1.07 0.08 0.00 -1.01 0.00 0.00 57.07 57.20 2gmq s TYR 84 Cb 0.02 -2.37 -0.04 0.00 -0.11 0.00 0.00 41.96 39.45 2gmq s TYR 84 CO -0.07 0.59 -0.15 0.14 -1.11 0.00 0.00 175.55 174.95 2gmq s VAL 85 N -0.96 1.70 0.18 0.71 -7.23 -0.12 -4.89 120.40 109.78 2gmq s VAL 85 Ca 0.25 -2.07 -0.30 0.00 -1.81 0.00 0.00 61.98 58.05 2gmq s VAL 85 Cb -0.17 -1.92 -0.08 0.00 0.56 0.00 0.00 36.38 34.76 2gmq s VAL 85 CO 0.15 -0.50 1.31 -0.75 -0.31 0.00 0.00 175.10 174.99 2gmq s LYS 86 N -3.30 4.39 0.00 4.82 2.20 -1.26 -1.05 119.74 125.54 2gmq s LYS 86 Ca 0.19 2.03 0.00 0.00 -0.36 0.00 0.00 55.97 57.82 2gmq s LYS 86 Cb -0.03 -3.22 0.00 0.00 -1.51 0.00 0.00 37.83 33.08 2gmq s LYS 86 CO 0.06 -0.27 0.00 -0.35 -0.36 0.00 0.00 175.35 174.43 2gmq n PRO 87 N 2.91 0.00 0.00 4.03 -0.04 -1.26 -4.90 135.00 135.74 2gmq n PRO 87 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2gmq n PRO 87 Cb 0.43 -0.29 0.00 0.00 -0.04 0.00 0.00 33.50 33.60 2gmq n PRO 87 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2gmq n ARG 91 N 0.00 0.00 -4.96 0.54 -4.01 -1.26 -5.11 116.66 101.86 2gmq n ARG 91 Ca 0.00 0.00 -0.32 0.00 -1.04 0.00 0.00 57.85 56.49 2gmq n ARG 91 Cb 0.00 0.00 -0.15 0.00 -3.04 0.00 0.00 32.46 29.27 2gmq n ARG 91 CO 0.00 0.00 0.00 -1.50 -3.04 0.00 0.00 177.63 173.09 2gmq s ILE 92 N 0.00 2.76 0.65 8.89 2.07 -1.26 -5.12 121.20 129.20 2gmq s ILE 92 Ca 0.00 -0.80 -0.16 0.00 -1.41 0.00 0.00 60.65 58.28 2gmq s ILE 92 Cb 0.00 -2.10 -0.00 0.00 0.13 0.00 0.00 42.46 40.49 2gmq s ILE 92 CO 0.00 0.56 1.14 0.20 -1.91 0.00 0.00 174.94 174.93 2gmq s ASN 93 N -0.12 5.01 0.04 4.50 0.01 -1.26 -4.94 114.94 118.17 2gmq s ASN 93 Ca -0.02 2.15 0.06 0.00 -0.71 0.00 0.00 52.86 54.33 2gmq s ASN 93 Cb -0.14 -2.57 -0.02 0.00 0.41 0.00 0.00 41.25 38.93 2gmq s ASN 93 CO 0.04 -1.70 -0.18 0.68 -1.51 0.00 0.00 177.10 174.43 2gmq s VAL 94 N -2.09 1.41 0.40 1.60 -7.23 -0.21 -4.87 120.40 109.39 2gmq s VAL 94 Ca 0.71 -1.10 -0.25 0.00 -1.81 0.00 0.00 61.98 59.53 2gmq s VAL 94 Cb -0.24 -1.24 -0.09 0.00 0.56 0.00 0.00 36.38 35.38 2gmq s VAL 94 CO 0.39 0.12 1.15 -2.84 -0.31 0.00 0.00 175.10 173.61 2gmq s PRO 95 N -1.14 4.09 -0.01 4.82 0.02 -1.26 -0.95 135.00 140.56 2gmq s PRO 95 Ca 0.05 1.79 0.03 0.00 0.02 0.00 0.00 61.00 62.89 2gmq s PRO 95 Cb -0.08 -2.67 -0.01 0.00 0.02 0.00 0.00 34.50 31.76 2gmq s PRO 95 CO 0.01 -0.27 -0.11 0.08 -0.33 0.00 0.00 177.00 176.38 2gmq s VAL 96 N -1.44 0.85 0.02 3.83 1.01 0.36 -1.57 120.40 123.46 2gmq s VAL 96 Ca 0.57 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 62.17 2gmq s VAL 96 Cb -0.29 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.35 2gmq s VAL 96 CO 0.37 0.24 -0.22 -0.36 0.00 0.00 0.00 175.10 175.14 2gmq s PHE 97 N -0.19 1.91 -0.21 5.22 0.08 -0.09 -1.93 117.98 122.78 2gmq s PHE 97 Ca 0.03 -0.37 -0.08 0.00 0.12 0.00 0.00 56.93 56.62 2gmq s PHE 97 Cb -0.05 -1.18 -0.04 0.00 -0.57 0.00 0.00 43.02 41.18 2gmq s PHE 97 CO -0.00 0.04 0.09 -0.06 -0.10 0.00 0.00 175.22 175.19 2gmq s PHE 98 N -0.67 3.25 -0.06 0.36 0.08 -1.26 -1.45 117.98 118.22 2gmq s PHE 98 Ca 0.08 0.06 -0.27 0.00 0.12 0.00 0.00 56.93 56.92 2gmq s PHE 98 Cb -0.09 -2.16 -0.03 0.00 -0.57 0.00 0.00 43.02 40.18 2gmq s PHE 98 CO 0.01 0.06 0.87 0.42 -0.10 0.00 0.00 175.22 176.48 2gmq s ILE 99 N 0.73 4.91 -0.21 0.64 -1.09 -0.10 -1.52 121.20 124.56 2gmq s ILE 99 Ca 0.05 1.79 -0.16 0.00 -2.23 0.00 0.00 60.65 60.10 2gmq s ILE 99 Cb -0.13 -4.20 -0.19 0.00 -1.58 0.00 0.00 42.46 36.36 2gmq s ILE 99 CO 0.02 0.14 0.09 1.17 -1.23 0.00 0.00 174.94 175.13 2gmq n LYS 100 N 4.24 0.61 -1.67 2.79 4.81 0.11 -4.83 118.16 124.22 2gmq n LYS 100 Ca 0.04 0.43 -0.45 0.00 -0.87 0.00 0.00 58.31 57.47 2gmq n LYS 100 Cb 0.50 -1.67 -0.04 0.00 0.02 0.00 0.00 35.03 33.84 2gmq n LYS 100 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2gmq n THR 101 N -4.16 0.61 -2.04 3.15 -1.04 -0.77 -4.91 114.28 105.11 2gmq n THR 101 Ca -0.38 -0.11 -0.42 0.00 -2.04 0.00 0.00 64.05 61.10 2gmq n THR 101 Cb 0.81 -2.10 -0.03 0.00 -1.82 0.00 0.00 70.33 67.19 2gmq n THR 101 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2gmq s PRO 102 N 3.89 4.24 -0.12 -2.82 0.02 -1.26 -4.88 135.00 134.07 2gmq s PRO 102 Ca 0.89 2.20 -0.10 0.00 0.02 0.00 0.00 61.00 64.01 2gmq s PRO 102 Cb -0.54 -3.51 0.04 0.00 0.02 0.00 0.00 34.50 30.50 2gmq s PRO 102 CO 0.45 -0.64 0.31 -1.50 -0.33 0.00 0.00 177.00 175.28 2gmq s ILE 103 N 2.25 -0.01 0.37 2.83 2.07 -1.26 -5.05 121.20 122.40 2gmq s ILE 103 Ca 0.70 0.04 0.08 0.00 -1.41 0.00 0.00 60.65 60.05 2gmq s ILE 103 Cb -0.37 -0.44 -0.02 0.00 0.13 0.00 0.00 42.46 41.75 2gmq s ILE 103 CO 0.30 0.01 0.34 0.20 -1.91 0.00 0.00 174.94 173.89 2gmq s ASN 104 N 0.50 5.21 0.25 4.50 0.02 -1.26 -0.62 114.94 123.52 2gmq s ASN 104 Ca -0.03 -0.60 -0.03 0.00 -1.02 0.00 0.00 52.86 51.19 2gmq s ASN 104 Cb -0.04 -0.79 0.29 0.00 0.02 0.00 0.00 41.25 40.73 2gmq s ASN 104 CO -0.03 -0.50 1.73 -0.09 0.02 0.00 0.00 177.10 178.23 2gmq h ARG 105 N 1.12 0.80 0.02 -0.60 2.43 -1.28 -1.55 114.38 115.33 2gmq h ARG 105 Ca -0.43 -0.24 -0.00 0.00 -0.81 0.00 0.00 59.98 58.50 2gmq h ARG 105 Cb 1.26 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 2gmq h ARG 105 CO 0.57 0.84 -0.01 0.78 -1.51 0.00 0.00 179.97 180.64 2gmq h GLY 106 N 0.98 -0.03 1.25 2.80 0.00 -1.87 -0.64 103.07 105.56 2gmq h GLY 106 Ca 0.14 0.01 -0.16 0.00 0.00 0.00 0.00 47.33 47.32 2gmq h GLY 106 CO 0.03 -0.01 -0.44 -2.08 0.00 0.00 0.00 176.54 174.03 2gmq h VAL 107 N -0.05 1.28 -0.37 4.60 2.07 -1.92 0.22 116.25 122.07 2gmq h VAL 107 Ca -0.00 -1.63 0.02 0.00 0.82 0.00 0.00 66.70 65.91 2gmq h VAL 107 Cb 0.05 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 2gmq h VAL 107 CO 0.00 0.53 0.21 0.15 0.02 0.00 0.00 177.57 178.49 2gmq h PHE 108 N 0.65 0.39 0.00 1.57 3.57 -1.08 0.83 116.94 122.87 2gmq h PHE 108 Ca 0.04 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.43 2gmq h PHE 108 Cb 1.02 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.62 2gmq h PHE 108 CO 0.06 0.22 -0.57 0.93 -2.23 0.00 0.00 178.31 176.72 2gmq h GLU 109 N 0.43 0.00 0.28 1.11 5.08 -0.76 -2.04 114.58 118.68 2gmq h GLU 109 Ca 0.15 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2gmq h GLU 109 Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2gmq h GLU 109 CO -0.08 0.57 -0.20 0.93 -1.00 0.00 0.00 179.01 179.23 2gmq h GLU 110 N 0.00 -0.46 0.04 2.33 4.39 0.12 0.52 114.58 121.51 2gmq h GLU 110 Ca -0.01 0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.75 2gmq h GLU 110 Cb 1.02 0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 29.73 2gmq h GLU 110 CO 0.07 -0.31 -0.31 0.82 -1.16 0.00 0.00 179.01 178.13 2gmq h ILE 111 N -0.48 0.33 0.00 3.13 2.04 -0.61 -3.27 117.51 118.65 2gmq h ILE 111 Ca -0.02 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.67 2gmq h ILE 111 Cb 0.42 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 2gmq h ILE 111 CO -0.00 0.00 -1.33 -0.26 0.00 0.00 0.00 178.15 176.55 2gmq h PHE 112 N -0.48 0.00 0.00 1.37 0.04 -1.32 -3.49 116.94 113.06 2gmq h PHE 112 Ca 0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.82 2gmq h PHE 112 Cb 0.55 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.70 2gmq h PHE 112 CO -0.32 0.62 0.00 0.41 -0.60 0.00 0.00 178.31 178.42