#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gpq h ALA 2 N 0.00 -0.61 -4.22 -5.12 0.00 -2.14 -3.45 119.26 103.72 2gpq h ALA 2 Ca 0.00 -0.04 -0.69 0.00 0.00 0.00 0.00 54.91 54.18 2gpq h ALA 2 Cb 0.00 0.06 -0.30 0.00 0.00 0.00 0.00 17.79 17.55 2gpq h ALA 2 CO 0.00 -0.60 -0.88 0.99 0.00 0.00 0.00 179.25 178.76 2gpq s THR 3 N -2.53 2.11 -0.11 0.00 2.01 -1.26 -5.12 115.64 110.73 2gpq s THR 3 Ca -0.02 -1.06 0.00 0.00 0.31 0.00 0.00 61.69 60.92 2gpq s THR 3 Cb 0.00 -1.75 0.02 0.00 0.01 0.00 0.00 72.50 70.78 2gpq s THR 3 CO 0.07 0.57 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.78 2gpq s VAL 4 N -0.34 1.19 -0.06 3.82 1.01 -1.26 -5.13 120.40 119.63 2gpq s VAL 4 Ca 0.02 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 2gpq s VAL 4 Cb -0.12 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 2gpq s VAL 4 CO 0.02 0.39 0.08 -1.83 0.00 0.00 0.00 175.10 173.76 2gpq s GLU 5 N 1.48 3.17 0.00 2.72 -1.05 -1.26 -5.06 118.70 118.69 2gpq s GLU 5 Ca 0.02 -0.35 0.00 0.00 -0.15 0.00 0.00 54.97 54.48 2gpq s GLU 5 Cb -0.13 -2.95 0.00 0.00 -0.44 0.00 0.00 34.13 30.61 2gpq s GLU 5 CO -0.07 0.70 0.82 -0.35 0.95 0.00 0.00 175.26 177.31 2gpq n PRO 6 N 1.66 0.00 0.02 -4.83 -0.04 -1.26 -5.01 135.00 125.54 2gpq n PRO 6 Ca -0.16 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2gpq n PRO 6 Cb 0.54 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 2gpq n PRO 6 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2gpq n GLU 7 N -1.46 0.00 -4.18 0.54 2.13 -1.26 -5.15 120.64 111.26 2gpq n GLU 7 Ca 0.00 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.65 2gpq n GLU 7 Cb 0.00 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 31.59 2gpq n GLU 7 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 2gpq s THR 8 N -1.62 1.09 0.05 6.31 -1.32 -1.26 -5.16 115.64 113.73 2gpq s THR 8 Ca 0.00 -1.44 0.03 0.00 -1.21 0.00 0.00 61.69 59.07 2gpq s THR 8 Cb 0.00 -1.19 -0.04 0.00 -1.51 0.00 0.00 72.50 69.76 2gpq s THR 8 CO 0.00 -0.34 0.01 0.28 -2.21 0.00 0.00 174.62 172.37 2gpq s THR 9 N -1.68 4.15 -0.15 5.08 -1.32 -1.26 -5.06 115.64 115.41 2gpq s THR 9 Ca 0.01 -0.80 -0.36 0.00 -1.21 0.00 0.00 61.69 59.33 2gpq s THR 9 Cb -0.08 -2.93 -0.13 0.00 -1.51 0.00 0.00 72.50 67.85 2gpq s THR 9 CO 0.02 0.22 1.85 -2.65 -2.21 0.00 0.00 174.62 171.85 2gpq n PRO 10 N 0.88 1.88 -4.61 7.08 -0.02 -1.26 -4.98 135.00 133.97 2gpq n PRO 10 Ca -0.12 0.69 -0.30 0.00 -2.02 0.00 0.00 63.50 61.76 2gpq n PRO 10 Cb 0.52 -2.49 -0.13 0.00 -0.02 0.00 0.00 33.50 31.38 2gpq n PRO 10 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2gpq s THR 11 N 3.97 2.36 -0.02 3.45 -1.32 -1.26 -5.09 115.64 117.73 2gpq s THR 11 Ca 0.95 -1.51 -0.36 0.00 -1.21 0.00 0.00 61.69 59.55 2gpq s THR 11 Cb -0.80 -2.00 -0.15 0.00 -1.51 0.00 0.00 72.50 68.05 2gpq s THR 11 CO 0.56 0.23 1.62 -2.65 -2.21 0.00 0.00 174.62 172.17 2gpq n PRO 12 N 1.31 1.64 -3.10 7.08 -0.02 -1.26 -4.94 135.00 135.72 2gpq n PRO 12 Ca -0.17 0.60 0.05 0.00 -2.02 0.00 0.00 63.50 61.96 2gpq n PRO 12 Cb 0.52 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 2gpq n PRO 12 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2gpq s ASN 13 N 2.17 -0.49 1.11 2.55 2.47 -1.26 -5.18 114.94 116.32 2gpq s ASN 13 Ca 0.88 0.01 -0.14 0.00 0.42 0.00 0.00 52.86 54.03 2gpq s ASN 13 Cb -0.85 1.20 0.24 0.00 -1.45 0.00 0.00 41.25 40.40 2gpq s ASN 13 CO 0.50 -0.08 1.07 -2.16 -3.72 0.00 0.00 177.10 172.70 2gpq s PRO 14 N 2.79 -0.46 0.12 0.43 0.04 -1.26 -4.95 135.00 131.72 2gpq s PRO 14 Ca 0.25 0.46 -0.31 0.00 0.04 0.00 0.00 61.00 61.44 2gpq s PRO 14 Cb -0.02 -1.64 -0.09 0.00 0.04 0.00 0.00 34.50 32.80 2gpq s PRO 14 CO -0.22 -3.32 1.49 -1.25 0.04 0.00 0.00 177.00 173.74 2gpq s PRO 15 N -4.90 4.26 0.25 0.56 0.04 -1.26 -5.01 135.00 128.94 2gpq s PRO 15 Ca 0.67 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.92 2gpq s PRO 15 Cb -0.19 -3.28 -0.03 0.00 0.04 0.00 0.00 34.50 31.04 2gpq s PRO 15 CO 0.59 -0.55 0.21 -0.08 0.04 0.00 0.00 177.00 177.22 2gpq s THR 16 N 1.39 0.00 -0.11 1.26 -1.32 -1.26 -5.16 115.64 110.44 2gpq s THR 16 Ca 0.68 -1.94 0.00 0.00 -1.21 0.00 0.00 61.69 59.22 2gpq s THR 16 Cb -0.39 -2.49 -0.02 0.00 -1.51 0.00 0.00 72.50 68.09 2gpq s THR 16 CO 0.31 0.00 -0.11 -0.89 -2.21 0.00 0.00 174.62 171.72 2gpq s THR 17 N -3.89 3.28 0.00 5.08 2.01 -1.26 -4.90 115.64 115.96 2gpq s THR 17 Ca 0.38 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.78 2gpq s THR 17 Cb 0.05 -2.36 0.00 0.00 0.01 0.00 0.00 72.50 70.20 2gpq s THR 17 CO 0.17 0.54 0.00 1.21 -0.69 0.00 0.00 174.62 175.85 2gpq n GLU 18 N 3.08 0.00 -1.25 4.92 2.13 -1.26 -5.16 120.64 123.10 2gpq n GLU 18 Ca -0.18 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.55 2gpq n GLU 18 Cb 0.53 0.00 0.05 0.00 0.27 0.00 0.00 31.44 32.29 2gpq n GLU 18 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2gpq n GLU 19 N -1.66 0.14 -1.67 5.31 0.28 -1.26 -4.98 120.64 116.81 2gpq n GLU 19 Ca 0.00 -1.02 -0.42 0.00 -0.16 0.00 0.00 57.16 55.55 2gpq n GLU 19 Cb 0.00 -0.32 -0.03 0.00 1.43 0.00 0.00 31.44 32.51 2gpq n GLU 19 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2gpq n GLU 20 N -1.82 2.84 -0.16 3.44 -0.58 -1.26 -4.88 120.64 118.22 2gpq n GLU 20 Ca 0.07 1.04 -0.10 0.00 -0.42 0.00 0.00 57.16 57.75 2gpq n GLU 20 Cb 0.23 -2.98 -0.00 0.00 -0.57 0.00 0.00 31.44 28.12 2gpq n GLU 20 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2gpq h LYS 21 N 10.28 0.78 -4.80 3.49 3.64 -1.97 -3.40 116.57 124.59 2gpq h LYS 21 Ca -0.49 -0.22 -0.67 0.00 -1.27 0.00 0.00 60.65 58.00 2gpq h LYS 21 Cb 1.24 -0.09 -0.21 0.00 -0.41 0.00 0.00 32.23 32.76 2gpq h LYS 21 CO 0.94 0.80 -0.55 0.99 -2.27 0.00 0.00 179.45 179.36 2gpq s THR 22 N -5.16 4.76 -0.25 1.00 2.01 -1.26 -5.07 115.64 111.67 2gpq s THR 22 Ca -0.13 -0.30 -0.09 0.00 0.31 0.00 0.00 61.69 61.49 2gpq s THR 22 Cb 0.11 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 2gpq s THR 22 CO 0.80 0.10 0.12 -0.70 -0.69 0.00 0.00 174.62 174.25 2gpq s GLU 23 N 1.65 3.85 0.06 4.92 2.12 -1.26 -4.85 118.70 125.18 2gpq s GLU 23 Ca 0.05 -0.38 0.00 0.00 0.36 0.00 0.00 54.97 55.00 2gpq s GLU 23 Cb -0.17 -3.45 0.00 0.00 0.26 0.00 0.00 34.13 30.78 2gpq s GLU 23 CO 0.07 -0.09 0.00 0.43 -0.54 0.00 0.00 175.26 175.13 2gpq n SER 24 N 4.69 -9.29 0.03 -1.70 7.64 -1.26 -5.06 113.62 108.67 2gpq n SER 24 Ca -0.15 1.72 0.00 0.00 1.01 0.00 0.00 58.87 61.45 2gpq n SER 24 Cb 0.52 -5.09 0.00 0.00 -1.01 0.00 0.00 64.21 58.63 2gpq n SER 24 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2gpq n ASN 25 N 1.80 -0.19 0.00 6.43 2.85 -1.26 -5.07 115.26 119.83 2gpq n ASN 25 Ca 0.00 0.12 0.00 0.00 -0.11 0.00 0.00 54.58 54.59 2gpq n ASN 25 Cb 0.00 0.28 0.00 0.00 1.24 0.00 0.00 39.78 41.30 2gpq n ASN 25 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2gpq n GLN 26 N -2.70 0.00 -3.20 1.20 6.02 -1.26 -5.10 117.38 112.35 2gpq n GLN 26 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.03 2gpq n GLN 26 Cb 0.00 -0.19 -0.03 0.00 1.02 0.00 0.00 30.24 31.04 2gpq n GLN 26 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2gpq s GLU 27 N -0.41 0.10 0.38 -1.09 2.56 -1.26 -5.19 118.70 113.79 2gpq s GLU 27 Ca 0.00 0.23 -0.14 0.00 0.00 0.00 0.00 54.97 55.06 2gpq s GLU 27 Cb 0.00 0.13 0.05 0.00 2.00 0.00 0.00 34.13 36.32 2gpq s GLU 27 CO 0.00 -0.07 0.74 1.33 -0.56 0.00 0.00 175.26 176.70 2gpq n VAL 28 N 5.03 0.00 0.03 3.70 0.24 -1.26 -5.08 118.33 120.98 2gpq n VAL 28 Ca -0.08 -0.98 -0.03 0.00 -2.04 0.00 0.00 64.34 61.21 2gpq n VAL 28 Cb 0.55 0.95 -0.02 0.00 -1.47 0.00 0.00 33.84 33.85 2gpq n VAL 28 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gpq h ALA 29 N 2.00 -0.69 -3.30 2.33 0.00 -2.00 -3.44 119.26 114.16 2gpq h ALA 29 Ca -0.32 -0.02 0.34 0.00 0.00 0.00 0.00 54.91 54.91 2gpq h ALA 29 Cb 1.18 0.47 -0.15 0.00 0.00 0.00 0.00 17.79 19.29 2gpq h ALA 29 CO 0.40 -0.70 -0.96 0.09 0.00 0.00 0.00 179.25 178.08 2gpq n ASN 30 N -2.90 -7.99 -0.28 0.00 5.03 -1.26 -0.05 115.26 107.81 2gpq n ASN 30 Ca -0.02 1.10 0.33 0.00 0.87 0.00 0.00 54.58 56.87 2gpq n ASN 30 Cb 0.07 -4.62 0.65 0.00 -1.02 0.00 0.00 39.78 34.86 2gpq n ASN 30 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 2gpq h PRO 31 N -1.40 0.00 0.56 3.52 0.13 -2.05 -0.45 132.00 132.32 2gpq h PRO 31 Ca -0.11 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.99 2gpq h PRO 31 Cb 1.35 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.48 2gpq h PRO 31 CO 0.05 0.00 -0.27 0.93 -0.23 0.00 0.00 178.00 178.48 2gpq h GLU 32 N 0.00 -0.73 -4.16 0.86 4.39 -1.94 -3.49 114.58 109.51 2gpq h GLU 32 Ca 0.54 0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.29 2gpq h GLU 32 Cb 2.60 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 31.42 2gpq h GLU 32 CO -0.01 -0.49 -0.87 1.58 -1.16 0.00 0.00 179.01 178.06 2gpq n HIS 33 N -4.55 -4.50 -1.02 4.33 -0.00 0.93 -4.96 115.22 105.46 2gpq n HIS 33 Ca -0.09 2.70 0.07 0.00 0.46 0.00 0.00 57.72 60.86 2gpq n HIS 33 Cb 0.30 -3.59 0.10 0.00 -0.12 0.00 0.00 29.99 26.69 2gpq n HIS 33 CO 0.00 0.00 0.00 2.48 0.46 0.00 0.00 176.34 179.28 2gpq n TYR 34 N 1.71 0.00 -3.38 1.57 0.18 -1.26 -4.94 117.16 111.04 2gpq n TYR 34 Ca 0.00 -0.82 -0.14 0.00 1.88 0.00 0.00 57.90 58.83 2gpq n TYR 34 Cb 0.00 -0.12 -0.09 0.00 -0.38 0.00 0.00 39.34 38.75 2gpq n TYR 34 CO 0.00 0.00 0.00 -1.50 -2.08 0.00 0.00 176.86 173.28 2gpq s ILE 35 N -2.29 -0.49 -0.02 -3.48 -1.16 -1.26 -5.14 121.20 107.36 2gpq s ILE 35 Ca 0.24 -0.29 0.02 0.00 -0.51 0.00 0.00 60.65 60.11 2gpq s ILE 35 Cb 0.21 -0.90 0.00 0.00 0.61 0.00 0.00 42.46 42.38 2gpq s ILE 35 CO 0.02 -0.31 -0.08 -0.75 -2.81 0.00 0.00 174.94 171.02 2gpq s LYS 36 N 2.44 0.77 -0.11 3.50 2.20 -1.26 -4.84 119.74 122.44 2gpq s LYS 36 Ca 0.10 -0.26 0.02 0.00 -0.36 0.00 0.00 55.97 55.46 2gpq s LYS 36 Cb -0.14 -0.74 0.01 0.00 -1.51 0.00 0.00 37.83 35.45 2gpq s LYS 36 CO -0.25 0.11 -0.15 -1.58 -0.36 0.00 0.00 175.35 173.11 2gpq s HIS 37 N 0.11 2.03 -0.25 4.03 2.46 -1.26 -5.01 115.29 117.40 2gpq s HIS 37 Ca -0.01 -0.97 -0.18 0.00 0.47 0.00 0.00 55.06 54.36 2gpq s HIS 37 Cb -0.07 -1.46 -0.03 0.00 -0.13 0.00 0.00 32.58 30.90 2gpq s HIS 37 CO 0.00 -0.50 0.52 -1.25 -2.47 0.00 0.00 174.74 171.04 2gpq s PRO 38 N 1.02 4.10 0.04 2.88 0.04 -1.26 -1.45 135.00 140.36 2gpq s PRO 38 Ca -0.06 0.35 -0.24 0.00 0.04 0.00 0.00 61.00 61.09 2gpq s PRO 38 Cb -0.15 -3.63 -0.06 0.00 0.04 0.00 0.00 34.50 30.70 2gpq s PRO 38 CO -0.02 -0.31 0.72 -0.51 0.04 0.00 0.00 177.00 176.92 2gpq s LEU 39 N 2.16 4.45 0.55 -3.56 1.43 -0.74 -4.94 118.68 118.04 2gpq s LEU 39 Ca 0.22 1.39 0.31 0.00 -1.03 0.00 0.00 54.13 55.02 2gpq s LEU 39 Cb -0.16 -3.15 1.47 0.00 0.03 0.00 0.00 46.19 44.38 2gpq s LEU 39 CO 0.09 0.06 1.88 0.06 0.23 0.00 0.00 176.35 178.67 2gpq h GLN 40 N 5.54 0.00 0.00 1.70 -0.00 -1.93 -3.43 115.11 116.99 2gpq h GLN 40 Ca -0.45 0.00 -0.39 0.00 -0.00 0.00 0.00 58.65 57.82 2gpq h GLN 40 Cb 1.20 0.00 -0.10 0.00 -0.00 0.00 0.00 27.48 28.59 2gpq h GLN 40 CO 0.70 0.00 -0.37 0.09 -0.00 0.00 0.00 178.83 179.25 2gpq n ASN 41 N -4.14 -0.28 -4.51 0.06 4.13 -1.26 -5.15 115.26 104.11 2gpq n ASN 41 Ca 0.17 -2.72 -0.34 0.00 1.68 0.00 0.00 54.58 53.36 2gpq n ASN 41 Cb 0.92 1.23 -0.12 0.00 -1.54 0.00 0.00 39.78 40.28 2gpq n ASN 41 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 2gpq s ARG 42 N -3.09 3.72 -0.12 3.52 3.52 -1.26 -4.52 118.95 120.72 2gpq s ARG 42 Ca 0.29 -0.48 0.00 0.00 -0.13 0.00 0.00 55.73 55.41 2gpq s ARG 42 Cb 0.01 -3.07 -0.01 0.00 -1.56 0.00 0.00 34.95 30.32 2gpq s ARG 42 CO 0.20 0.14 -0.14 -1.58 -0.81 0.00 0.00 175.30 173.12 2gpq s TRP 43 N 0.68 2.80 0.06 5.12 0.52 0.40 -1.26 118.94 127.25 2gpq s TRP 43 Ca 0.00 -0.63 -0.02 0.00 0.02 0.00 0.00 56.10 55.48 2gpq s TRP 43 Cb -0.14 -1.83 -0.04 0.00 -1.15 0.00 0.00 33.47 30.31 2gpq s TRP 43 CO 0.02 -0.19 0.24 0.00 0.02 0.00 0.00 176.95 177.04 2gpq s ALA 44 N 0.28 3.95 -0.13 0.98 0.00 0.22 0.11 121.76 127.16 2gpq s ALA 44 Ca -0.10 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.11 2gpq s ALA 44 Cb -0.16 -1.91 -0.01 0.00 0.00 0.00 0.00 23.12 21.04 2gpq s ALA 44 CO 0.06 0.78 -0.16 -1.17 0.00 0.00 0.00 175.76 175.26 2gpq s LEU 45 N -2.40 2.50 -0.07 0.00 1.98 0.31 -2.13 118.68 118.87 2gpq s LEU 45 Ca 0.35 -0.43 0.02 0.00 -2.89 0.00 0.00 54.13 51.18 2gpq s LEU 45 Cb -0.13 -1.55 0.01 0.00 0.66 0.00 0.00 46.19 45.18 2gpq s LEU 45 CO 0.25 0.13 -0.13 0.26 -1.89 0.00 0.00 176.35 174.97 2gpq s TRP 46 N 0.52 1.56 -0.14 5.38 0.52 -0.28 -2.07 118.94 124.44 2gpq s TRP 46 Ca -0.10 -0.60 -0.01 0.00 0.02 0.00 0.00 56.10 55.41 2gpq s TRP 46 Cb -0.16 -1.14 -0.02 0.00 -1.15 0.00 0.00 33.47 31.00 2gpq s TRP 46 CO 0.04 -0.30 -0.10 0.12 0.02 0.00 0.00 176.95 176.73 2gpq s PHE 47 N 0.68 2.87 -0.12 -1.98 5.36 -0.39 -1.03 117.98 123.37 2gpq s PHE 47 Ca -0.14 -0.58 0.01 0.00 -0.96 0.00 0.00 56.93 55.26 2gpq s PHE 47 Cb -0.16 -1.89 0.02 0.00 -0.34 0.00 0.00 43.02 40.65 2gpq s PHE 47 CO 0.04 -0.19 -0.15 -0.06 -1.46 0.00 0.00 175.22 173.40 2gpq s PHE 48 N 0.42 2.04 -0.06 10.12 0.40 -0.36 -2.14 117.98 128.40 2gpq s PHE 48 Ca -0.08 -1.04 0.05 0.00 -0.60 0.00 0.00 56.93 55.26 2gpq s PHE 48 Cb -0.15 -1.49 -0.00 0.00 0.51 0.00 0.00 43.02 41.88 2gpq s PHE 48 CO 0.04 -0.56 -0.22 0.21 0.70 0.00 0.00 175.22 175.40 2gpq s LYS 49 N 1.20 2.38 -0.24 0.44 2.20 -1.24 0.90 119.74 125.38 2gpq s LYS 49 Ca -0.02 -0.79 -0.21 0.00 -0.36 0.00 0.00 55.97 54.60 2gpq s LYS 49 Cb -0.14 -1.97 -0.02 0.00 -1.51 0.00 0.00 37.83 34.19 2gpq s LYS 49 CO -0.05 0.28 0.64 1.21 -0.36 0.00 0.00 175.35 177.07 2gpq s ASN 50 N 0.05 6.62 0.07 1.43 3.04 -0.87 -4.77 114.94 120.51 2gpq s ASN 50 Ca -0.07 0.76 0.02 0.00 0.04 0.00 0.00 52.86 53.60 2gpq s ASN 50 Cb -0.14 -2.35 -0.04 0.00 -1.54 0.00 0.00 41.25 37.18 2gpq s ASN 50 CO 0.04 -0.36 0.13 -1.81 -3.04 0.00 0.00 177.10 172.07 2gpq s ASP 51 N 1.39 5.88 -0.39 -4.21 1.01 -1.26 -4.96 116.67 114.14 2gpq s ASP 51 Ca 0.27 0.11 -0.28 0.00 0.71 0.00 0.00 52.55 53.36 2gpq s ASP 51 Cb -0.16 -1.69 -0.07 0.00 1.01 0.00 0.00 42.92 42.02 2gpq s ASP 51 CO 0.09 0.17 2.33 2.29 0.21 0.00 0.00 175.17 180.26 2gpq n LYS 52 N 0.38 1.37 -2.90 8.23 2.85 -1.26 -2.73 118.16 124.11 2gpq n LYS 52 Ca -0.07 0.25 -0.04 0.00 -1.05 0.00 0.00 58.31 57.40 2gpq n LYS 52 Cb 0.51 -3.16 0.02 0.00 -0.65 0.00 0.00 35.03 31.75 2gpq n LYS 52 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2gpq n SER 53 N 13.27 -6.75 -4.24 -5.58 2.88 -1.26 -5.06 113.62 106.88 2gpq n SER 53 Ca 0.36 -0.22 -0.13 0.00 -1.33 0.00 0.00 58.87 57.55 2gpq n SER 53 Cb 0.45 -4.70 -0.10 0.00 -0.75 0.00 0.00 64.21 59.11 2gpq n SER 53 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2gpq s LYS 54 N -3.34 1.08 0.24 -1.46 2.36 -1.11 -5.14 119.74 112.38 2gpq s LYS 54 Ca 0.11 -1.50 -0.30 0.00 -2.55 0.00 0.00 55.97 51.73 2gpq s LYS 54 Cb -0.01 -0.36 -0.09 0.00 -1.05 0.00 0.00 37.83 36.32 2gpq s LYS 54 CO 0.65 -0.07 0.99 0.99 1.55 0.00 0.00 175.35 179.45 2gpq s THR 55 N -3.57 3.93 0.23 3.43 2.01 -1.26 -4.92 115.64 115.50 2gpq s THR 55 Ca 0.21 1.93 -0.03 0.00 0.31 0.00 0.00 61.69 64.10 2gpq s THR 55 Cb 0.05 -4.23 0.06 0.00 0.01 0.00 0.00 72.50 68.40 2gpq s THR 55 CO 0.02 0.45 1.67 -0.50 -0.69 0.00 0.00 174.62 175.58 2gpq h TRP 56 N 4.14 0.86 0.13 4.92 4.06 -1.99 -0.22 115.95 127.86 2gpq h TRP 56 Ca -0.45 -0.17 0.00 0.00 2.06 0.00 0.00 58.89 60.33 2gpq h TRP 56 Cb 1.20 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 29.14 2gpq h TRP 56 CO 0.61 0.87 -0.11 1.96 -3.56 0.00 0.00 178.44 178.21 2gpq h GLN 57 N 0.69 -0.24 0.00 0.49 7.50 -1.93 -2.06 115.11 119.56 2gpq h GLN 57 Ca 0.11 0.02 -0.12 0.00 0.50 0.00 0.00 58.65 59.16 2gpq h GLN 57 Cb 0.64 0.06 -0.02 0.00 0.05 0.00 0.00 27.48 28.21 2gpq h GLN 57 CO 0.04 -0.16 -0.55 0.00 -1.50 0.00 0.00 178.83 176.66 2gpq h ALA 58 N 0.60 1.04 -0.75 3.87 0.00 -1.96 -3.13 119.26 118.95 2gpq h ALA 58 Ca -0.00 -0.50 0.01 0.00 0.00 0.00 0.00 54.91 54.42 2gpq h ALA 58 Cb 0.23 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2gpq h ALA 58 CO -0.02 0.69 0.49 -0.91 0.00 0.00 0.00 179.25 179.50 2gpq h ASN 59 N 0.00 0.85 -2.99 0.00 -0.26 -0.65 -3.39 115.58 109.14 2gpq h ASN 59 Ca -0.01 -0.02 -0.57 0.00 -0.56 0.00 0.00 56.30 55.14 2gpq h ASN 59 Cb 1.00 -0.21 -0.04 0.00 -1.06 0.00 0.00 38.32 38.01 2gpq h ASN 59 CO 0.07 0.62 1.13 -0.76 -1.06 0.00 0.00 177.43 177.43 2gpq s LEU 60 N -10.14 3.67 0.04 1.61 1.43 -0.81 -3.72 118.68 110.77 2gpq s LEU 60 Ca -0.13 1.18 0.07 0.00 -1.03 0.00 0.00 54.13 54.22 2gpq s LEU 60 Cb 0.15 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.81 2gpq s LEU 60 CO 0.78 -1.42 -0.20 -0.60 0.23 0.00 0.00 176.35 175.14 2gpq s ARG 61 N 4.97 1.32 -0.10 1.70 6.06 -0.91 -4.98 118.95 127.01 2gpq s ARG 61 Ca 0.68 -0.91 -0.14 0.00 -2.50 0.00 0.00 55.73 52.86 2gpq s ARG 61 Cb -0.19 -1.42 -0.05 0.00 0.06 0.00 0.00 34.95 33.35 2gpq s ARG 61 CO 0.31 0.36 0.32 -1.17 -2.50 0.00 0.00 175.30 172.63 2gpq s LEU 62 N -1.17 4.34 -0.06 -0.88 2.96 -1.26 -1.26 118.68 121.35 2gpq s LEU 62 Ca 0.07 0.68 -0.04 0.00 -0.22 0.00 0.00 54.13 54.62 2gpq s LEU 62 Cb -0.09 -2.43 -0.01 0.00 0.50 0.00 0.00 46.19 44.16 2gpq s LEU 62 CO 0.02 0.21 -0.07 0.40 -1.32 0.00 0.00 176.35 175.58 2gpq h ILE 63 N 4.28 0.00 0.00 6.68 1.08 -1.74 -3.46 117.51 124.34 2gpq h ILE 63 Ca -0.46 -0.43 0.00 0.00 -0.39 0.00 0.00 64.86 63.58 2gpq h ILE 63 Cb 1.19 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.94 2gpq h ILE 63 CO 0.69 0.00 0.00 -0.24 -0.69 0.00 0.00 178.15 177.91 2gpq n SER 64 N -3.26 0.00 -4.49 1.72 2.88 -0.97 -5.03 113.62 104.47 2gpq n SER 64 Ca -0.03 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.27 2gpq n SER 64 Cb 0.10 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.47 2gpq n SER 64 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2gpq s LYS 65 N -2.00 1.74 -0.10 -1.46 -2.85 -1.26 0.11 119.74 113.92 2gpq s LYS 65 Ca 0.00 -1.75 -0.26 0.00 -1.00 0.00 0.00 55.97 52.97 2gpq s LYS 65 Cb 0.00 -1.80 0.06 0.00 -2.06 0.00 0.00 37.83 34.03 2gpq s LYS 65 CO 0.00 0.32 0.61 -0.59 0.10 0.00 0.00 175.35 175.79 2gpq s PHE 66 N -2.50 -0.60 -0.09 1.78 -0.12 0.30 -4.78 117.98 111.97 2gpq s PHE 66 Ca 0.30 1.18 0.13 0.00 -0.05 0.00 0.00 56.93 58.49 2gpq s PHE 66 Cb -0.05 0.31 0.20 0.00 -0.63 0.00 0.00 43.02 42.85 2gpq s PHE 66 CO 0.16 -0.49 1.09 -0.40 -0.05 0.00 0.00 175.22 175.53 2gpq n ASP 67 N 1.53 1.80 -3.65 1.98 5.68 -1.26 0.15 116.55 122.78 2gpq n ASP 67 Ca -0.18 -2.74 -0.15 0.00 -0.50 0.00 0.00 54.79 51.23 2gpq n ASP 67 Cb 0.56 -0.34 -0.08 0.00 -1.14 0.00 0.00 41.12 40.13 2gpq n ASP 67 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2gpq s THR 68 N -2.09 0.01 0.46 2.12 -4.23 -1.26 -1.78 115.64 108.87 2gpq s THR 68 Ca 0.22 -0.07 0.12 0.00 -1.18 0.00 0.00 61.69 60.78 2gpq s THR 68 Cb 0.19 -0.82 0.28 0.00 1.34 0.00 0.00 72.50 73.49 2gpq s THR 68 CO 0.02 -0.04 2.08 1.62 -0.54 0.00 0.00 174.62 177.77 2gpq h VAL 69 N 3.87 1.03 0.00 2.29 3.04 -1.62 0.14 116.25 124.99 2gpq h VAL 69 Ca -0.28 -0.11 -0.03 0.00 -1.01 0.00 0.00 66.70 65.27 2gpq h VAL 69 Cb 1.16 0.70 -0.00 0.00 -2.01 0.00 0.00 31.29 31.14 2gpq h VAL 69 CO 0.24 0.06 -0.16 -0.08 -1.01 0.00 0.00 177.57 176.62 2gpq h GLU 70 N 0.31 0.00 0.14 4.17 4.57 -1.89 -1.08 114.58 120.81 2gpq h GLU 70 Ca 0.11 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 2gpq h GLU 70 Cb 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 2gpq h GLU 70 CO -0.02 0.16 -0.07 -0.44 -1.18 0.00 0.00 179.01 177.46 2gpq h ASP 71 N 0.00 -0.16 -0.98 1.04 5.19 -1.09 -0.40 116.42 120.01 2gpq h ASP 71 Ca -0.00 0.01 0.24 0.00 -0.62 0.00 0.00 57.03 56.66 2gpq h ASP 71 Cb 0.31 0.04 -0.13 0.00 0.18 0.00 0.00 39.33 39.73 2gpq h ASP 71 CO 0.02 0.05 0.56 0.15 -3.12 0.00 0.00 179.24 176.90 2gpq h PHE 72 N -0.52 0.95 -0.01 4.55 3.57 -1.47 0.51 116.94 124.52 2gpq h PHE 72 Ca -0.02 0.04 -0.14 0.00 3.53 0.00 0.00 57.97 61.38 2gpq h PHE 72 Cb 0.15 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 2gpq h PHE 72 CO 0.04 0.04 -0.65 -1.49 -2.23 0.00 0.00 178.31 174.02 2gpq h TRP 73 N 0.54 0.07 -0.17 0.41 -0.00 -1.29 -1.31 115.95 114.20 2gpq h TRP 73 Ca 0.63 -0.03 0.02 0.00 -0.00 0.00 0.00 58.89 59.52 2gpq h TRP 73 Cb 1.21 -0.01 -0.02 0.00 -0.00 0.00 0.00 29.16 30.34 2gpq h TRP 73 CO -0.03 0.68 0.04 0.00 -0.00 0.00 0.00 178.44 179.14 2gpq h ALA 74 N 1.31 0.18 0.11 1.49 0.00 0.18 -1.92 119.26 120.61 2gpq h ALA 74 Ca -0.01 0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.67 2gpq h ALA 74 Cb 1.15 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2gpq h ALA 74 CO 0.09 -0.39 -1.20 1.37 0.00 0.00 0.00 179.25 179.11 2gpq h LEU 75 N 0.12 0.35 -2.20 0.00 -0.00 -1.49 -3.25 115.31 108.84 2gpq h LEU 75 Ca 0.08 -0.37 0.04 0.00 -0.00 0.00 0.00 57.88 57.62 2gpq h LEU 75 Cb 0.06 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 40.60 2gpq h LEU 75 CO -0.09 1.29 0.13 0.22 -0.00 0.00 0.00 178.44 179.99 2gpq h TYR 76 N 0.06 0.00 0.00 0.17 5.03 -1.05 0.71 116.97 121.90 2gpq h TYR 76 Ca -0.11 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.12 2gpq h TYR 76 Cb 1.94 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 40.21 2gpq h TYR 76 CO 0.05 0.00 -0.35 -0.97 -1.32 0.00 0.00 178.16 175.57 2gpq h ASN 77 N 0.00 0.00 -0.22 -2.11 -0.00 -1.38 -2.90 115.58 108.97 2gpq h ASN 77 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.37 2gpq h ASN 77 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.64 2gpq h ASN 77 CO -0.00 0.35 0.00 1.57 -0.00 0.00 0.00 177.43 179.35 2gpq n HIS 78 N -3.56 0.29 -1.35 0.67 -0.00 0.56 -5.00 115.22 106.84 2gpq n HIS 78 Ca -0.00 -0.43 0.00 0.00 0.46 0.00 0.00 57.72 57.75 2gpq n HIS 78 Cb 0.48 -0.03 0.00 0.00 -0.12 0.00 0.00 29.99 30.32 2gpq n HIS 78 CO 0.00 0.00 0.00 1.51 0.46 0.00 0.00 176.34 178.31 2gpq n ILE 79 N 0.28 0.00 -2.18 3.57 3.06 0.22 -4.97 119.36 119.34 2gpq n ILE 79 Ca 0.08 0.00 -0.42 0.00 -2.50 0.00 0.00 62.75 59.91 2gpq n ILE 79 Cb 0.36 -1.52 -0.03 0.00 0.54 0.00 0.00 39.64 38.99 2gpq n ILE 79 CO 0.00 0.00 0.00 -1.10 -2.50 0.00 0.00 176.55 172.95 2gpq s GLN 80 N -0.10 3.23 0.05 9.51 -0.21 -1.26 -4.85 119.66 126.03 2gpq s GLN 80 Ca 0.00 0.91 -0.14 0.00 0.02 0.00 0.00 55.36 56.15 2gpq s GLN 80 Cb 0.00 -4.18 -0.31 0.00 1.00 0.00 0.00 33.01 29.52 2gpq s GLN 80 CO 0.00 -2.00 1.07 -0.07 -2.12 0.00 0.00 175.29 172.18 2gpq h LEU 81 N 13.80 0.85 0.00 2.90 4.07 -1.93 -2.20 115.31 132.80 2gpq h LEU 81 Ca -0.29 -0.83 -0.26 0.00 0.08 0.00 0.00 57.88 56.58 2gpq h LEU 81 Cb 1.13 -0.27 -0.05 0.00 1.08 0.00 0.00 40.66 42.55 2gpq h LEU 81 CO 1.12 1.63 -2.09 -0.24 -1.08 0.00 0.00 178.44 177.78 2gpq n SER 82 N -3.75 0.94 -0.07 -0.43 2.88 -1.26 -4.35 113.62 107.58 2gpq n SER 82 Ca -0.14 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.53 2gpq n SER 82 Cb 1.03 1.02 0.45 0.00 -0.75 0.00 0.00 64.21 65.96 2gpq n SER 82 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2gpq n SER 83 N -2.55 0.46 -0.36 -3.46 2.88 -1.26 -4.03 113.62 105.31 2gpq n SER 83 Ca -0.24 -0.27 0.36 0.00 -1.33 0.00 0.00 58.87 57.39 2gpq n SER 83 Cb 0.96 -0.02 0.74 0.00 -0.75 0.00 0.00 64.21 65.15 2gpq n SER 83 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 2gpq h ASN 84 N 0.33 0.04 -1.19 -3.46 -0.73 -1.59 -3.00 115.58 105.98 2gpq h ASN 84 Ca 0.00 0.01 -0.41 0.00 1.87 0.00 0.00 56.30 57.77 2gpq h ASN 84 Cb 0.46 0.00 -0.29 0.00 0.27 0.00 0.00 38.32 38.76 2gpq h ASN 84 CO 0.00 0.00 -0.87 0.18 -0.37 0.00 0.00 177.43 176.38 2gpq n LEU 85 N -4.20 -0.95 -4.81 0.34 4.77 -1.26 -4.96 117.00 105.94 2gpq n LEU 85 Ca 0.27 -4.21 -0.22 0.00 -0.03 0.00 0.00 56.01 51.83 2gpq n LEU 85 Cb 1.29 0.74 -0.05 0.00 -2.33 0.00 0.00 43.42 43.07 2gpq n LEU 85 CO 0.39 2.08 -0.17 -0.32 -1.33 0.00 0.00 177.39 178.04 2gpq s MET 86 N -0.62 2.81 0.29 3.23 1.75 -1.14 -5.05 119.30 120.58 2gpq s MET 86 Ca 0.34 -1.14 -0.30 0.00 -1.25 0.00 0.00 55.69 53.34 2gpq s MET 86 Cb 0.22 -2.50 -0.13 0.00 2.84 0.00 0.00 34.83 35.27 2gpq s MET 86 CO -0.15 0.34 1.36 -2.30 -0.65 0.00 0.00 175.02 173.63 2gpq n PRO 87 N -1.18 2.12 -1.04 4.11 -0.02 -1.26 -1.71 135.00 136.02 2gpq n PRO 87 Ca -0.07 0.75 -0.01 0.00 -2.02 0.00 0.00 63.50 62.15 2gpq n PRO 87 Cb 0.58 -2.38 -0.01 0.00 -0.02 0.00 0.00 33.50 31.68 2gpq n PRO 87 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gpq n GLY 88 N 1.50 0.51 3.78 -1.23 0.00 -0.97 -4.95 105.19 103.83 2gpq n GLY 88 Ca 0.08 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 2gpq n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gpq s ASP 90 N -2.53 1.17 0.04 0.00 -1.08 0.26 -2.61 116.67 111.91 2gpq s ASP 90 Ca 0.30 -0.30 0.03 0.00 -0.52 0.00 0.00 52.55 52.06 2gpq s ASP 90 Cb -0.12 -0.09 -0.02 0.00 -1.46 0.00 0.00 42.92 41.23 2gpq s ASP 90 CO 0.22 0.04 -0.10 -0.31 0.52 0.00 0.00 175.17 175.54 2gpq s TYR 91 N -0.56 0.86 -0.15 -5.34 2.02 0.13 -1.23 117.35 113.09 2gpq s TYR 91 Ca 0.01 -0.37 -0.11 0.00 -0.37 0.00 0.00 57.07 56.22 2gpq s TYR 91 Cb -0.06 -0.51 0.05 0.00 -0.40 0.00 0.00 41.96 41.04 2gpq s TYR 91 CO 0.00 -0.02 0.38 -1.54 -1.57 0.00 0.00 175.55 172.81 2gpq s SER 92 N -1.18 -0.43 -0.27 2.29 1.04 -0.20 0.15 113.70 115.10 2gpq s SER 92 Ca -0.03 0.80 -0.02 0.00 0.48 0.00 0.00 55.95 57.18 2gpq s SER 92 Cb -0.08 0.75 0.09 0.00 0.10 0.00 0.00 66.02 66.89 2gpq s SER 92 CO 0.01 -0.16 0.09 -1.48 0.98 0.00 0.00 173.24 172.68 2gpq s LEU 93 N 0.72 1.61 0.38 2.42 0.05 0.38 -1.13 118.68 123.12 2gpq s LEU 93 Ca -0.04 -1.35 0.06 0.00 0.05 0.00 0.00 54.13 52.85 2gpq s LEU 93 Cb -0.05 -0.69 -0.02 0.00 -2.05 0.00 0.00 46.19 43.37 2gpq s LEU 93 CO -0.05 -0.39 0.21 0.72 -0.55 0.00 0.00 176.35 176.29 2gpq s PHE 94 N 1.78 1.77 0.26 3.48 -0.12 -0.90 0.82 117.98 125.06 2gpq s PHE 94 Ca 0.07 -1.49 -0.31 0.00 -0.05 0.00 0.00 56.93 55.15 2gpq s PHE 94 Cb -0.17 -0.94 -0.13 0.00 -0.63 0.00 0.00 43.02 41.15 2gpq s PHE 94 CO -0.23 -0.59 1.48 1.63 -0.05 0.00 0.00 175.22 177.47 2gpq n LYS 95 N -0.79 2.32 0.02 1.99 5.02 -0.93 0.70 118.16 126.48 2gpq n LYS 95 Ca 0.00 0.82 0.02 0.00 -2.02 0.00 0.00 58.31 57.13 2gpq n LYS 95 Cb 0.64 -2.53 0.08 0.00 -0.02 0.00 0.00 35.03 33.19 2gpq n LYS 95 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2gpq n ASP 96 N 2.14 0.08 0.00 4.39 5.75 -0.39 -1.97 116.55 126.55 2gpq n ASP 96 Ca 0.10 0.53 0.02 0.00 -0.01 0.00 0.00 54.79 55.43 2gpq n ASP 96 Cb 0.34 -0.54 0.12 0.00 -1.03 0.00 0.00 41.12 40.01 2gpq n ASP 96 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2gpq n GLY 97 N -1.46 -0.85 3.10 6.12 0.00 -1.26 -4.92 105.19 105.92 2gpq n GLY 97 Ca -0.00 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 2gpq n GLY 97 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2gpq n ILE 98 N -0.58 0.42 -4.04 -0.61 2.08 -0.83 -4.99 119.36 110.80 2gpq n ILE 98 Ca 0.03 -0.47 -0.11 0.00 0.56 0.00 0.00 62.75 62.75 2gpq n ILE 98 Cb 0.01 0.00 -0.11 0.00 -0.75 0.00 0.00 39.64 38.79 2gpq n ILE 98 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 2gpq s GLU 99 N -0.95 0.48 -0.08 0.38 1.03 -1.26 -5.05 118.70 113.26 2gpq s GLU 99 Ca 0.55 -0.77 -0.02 0.00 0.03 0.00 0.00 54.97 54.77 2gpq s GLU 99 Cb -0.56 -0.14 -0.03 0.00 -0.80 0.00 0.00 34.13 32.59 2gpq s GLU 99 CO 0.60 0.01 2.49 -0.35 -1.33 0.00 0.00 175.26 176.68 2gpq n PRO 100 N 1.36 1.49 -3.10 -4.83 -0.04 -1.26 -4.78 135.00 123.83 2gpq n PRO 100 Ca -0.22 -0.68 -0.06 0.00 -0.04 0.00 0.00 63.50 62.50 2gpq n PRO 100 Cb 0.55 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 2gpq n PRO 100 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2gpq n MET 101 N 1.54 -1.62 0.00 0.54 1.56 -1.26 -4.97 117.12 112.91 2gpq n MET 101 Ca 0.20 1.57 0.00 0.00 -0.27 0.00 0.00 57.70 59.20 2gpq n MET 101 Cb 0.63 -5.24 0.00 0.00 2.15 0.00 0.00 33.22 30.76 2gpq n MET 101 CO 0.00 0.00 0.00 -2.67 -0.73 0.00 0.00 175.97 172.57 2gpq n TRP 102 N -1.45 -0.09 0.00 1.12 4.27 -1.26 -4.96 117.44 115.07 2gpq n TRP 102 Ca -0.01 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.60 2gpq n TRP 102 Cb 0.52 0.24 0.00 0.00 -1.36 0.00 0.00 31.31 30.71 2gpq n TRP 102 CO 0.00 0.00 0.00 -1.91 -2.29 0.00 0.00 177.69 173.49 2gpq n GLU 103 N -1.99 0.00 -0.68 -2.67 4.07 -1.26 -4.82 120.64 113.29 2gpq n GLU 103 Ca 0.00 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.00 2gpq n GLU 103 Cb 0.00 -0.55 0.13 0.00 -0.06 0.00 0.00 31.44 30.97 2gpq n GLU 103 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2gpq n ASP 104 N -1.80 3.52 0.26 4.31 9.92 -1.26 -4.44 116.55 127.05 2gpq n ASP 104 Ca 0.00 -2.85 0.18 0.00 -0.53 0.00 0.00 54.79 51.59 2gpq n ASP 104 Cb 0.10 -0.68 0.88 0.00 -0.64 0.00 0.00 41.12 40.78 2gpq n ASP 104 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2gpq h GLU 105 N 0.98 0.00 -0.22 -1.24 4.57 -1.92 -0.67 114.58 116.08 2gpq h GLU 105 Ca 0.29 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.53 2gpq h GLU 105 Cb 1.94 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.52 2gpq h GLU 105 CO 0.57 0.00 0.28 1.57 -1.18 0.00 0.00 179.01 180.25 2gpq h LYS 106 N 0.00 0.00 -0.28 1.92 5.09 -1.94 0.28 116.57 121.65 2gpq h LYS 106 Ca 0.06 0.00 -0.05 0.00 0.09 0.00 0.00 60.65 60.75 2gpq h LYS 106 Cb 0.58 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.90 2gpq h LYS 106 CO -0.00 0.00 -0.01 -0.91 -2.09 0.00 0.00 179.45 176.44 2gpq h ASN 107 N 0.00 0.49 1.68 7.07 2.35 -1.36 -2.72 115.58 123.08 2gpq h ASN 107 Ca 0.10 -0.32 -0.03 0.00 -0.55 0.00 0.00 56.30 55.51 2gpq h ASN 107 Cb 0.67 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.90 2gpq h ASN 107 CO -0.00 0.69 -0.33 0.50 -1.65 0.00 0.00 177.43 176.64 2gpq h LYS 108 N 0.28 0.00 0.00 0.81 1.63 -1.21 -3.19 116.57 114.89 2gpq h LYS 108 Ca 0.08 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 2gpq h LYS 108 Cb 0.44 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 2gpq h LYS 108 CO 0.02 0.11 0.00 -2.13 -3.45 0.00 0.00 179.45 173.99 2gpq n ARG 109 N -3.04 0.19 0.00 1.90 3.00 0.81 -4.51 116.66 115.01 2gpq n ARG 109 Ca 0.02 0.37 0.00 0.00 -0.00 0.00 0.00 57.85 58.24 2gpq n ARG 109 Cb 0.59 -1.83 0.00 0.00 0.00 0.00 0.00 32.46 31.21 2gpq n ARG 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2gpq n GLY 110 N 0.24 -1.18 1.88 5.14 0.00 -1.04 -1.43 105.19 108.80 2gpq n GLY 110 Ca 0.03 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 2gpq n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gpq n GLY 111 N 2.66 3.11 3.59 -0.02 0.00 -1.00 -2.25 105.19 111.28 2gpq n GLY 111 Ca 0.00 -1.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.22 2gpq n GLY 111 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2gpq s ARG 112 N -2.68 0.55 0.08 1.61 1.70 0.26 0.17 118.95 120.64 2gpq s ARG 112 Ca 0.21 0.20 -0.07 0.00 -0.47 0.00 0.00 55.73 55.60 2gpq s ARG 112 Cb 0.01 0.26 -0.05 0.00 -0.57 0.00 0.00 34.95 34.59 2gpq s ARG 112 CO 0.15 -0.16 0.35 -1.58 -1.08 0.00 0.00 175.30 172.98 2gpq s TRP 113 N -0.90 3.54 -0.26 5.89 0.51 0.30 -0.63 118.94 127.39 2gpq s TRP 113 Ca -0.00 0.63 -0.03 0.00 -2.12 0.00 0.00 56.10 54.58 2gpq s TRP 113 Cb -0.01 -2.05 0.02 0.00 -0.81 0.00 0.00 33.47 30.62 2gpq s TRP 113 CO -0.00 0.52 -0.02 -1.17 -0.51 0.00 0.00 176.95 175.76 2gpq s LEU 114 N -2.14 3.38 -0.04 2.99 0.20 0.38 -2.17 118.68 121.29 2gpq s LEU 114 Ca 0.34 -0.83 -0.14 0.00 0.69 0.00 0.00 54.13 54.19 2gpq s LEU 114 Cb -0.13 -1.72 -0.05 0.00 -0.43 0.00 0.00 46.19 43.85 2gpq s LEU 114 CO 0.20 -0.15 0.36 -0.63 -0.29 0.00 0.00 176.35 175.85 2gpq s ILE 115 N 1.37 5.13 -0.41 6.68 -1.09 0.32 0.49 121.20 133.69 2gpq s ILE 115 Ca 0.01 0.73 -0.06 0.00 -2.23 0.00 0.00 60.65 59.10 2gpq s ILE 115 Cb -0.17 -3.67 0.09 0.00 -1.58 0.00 0.00 42.46 37.14 2gpq s ILE 115 CO -0.03 0.56 0.21 0.28 -1.23 0.00 0.00 174.94 174.74 2gpq s THR 116 N -0.87 3.68 -0.11 2.92 -1.32 -1.26 -2.24 115.64 116.44 2gpq s THR 116 Ca 0.22 -1.71 -0.05 0.00 -1.21 0.00 0.00 61.69 58.94 2gpq s THR 116 Cb -0.16 -3.36 -0.04 0.00 -1.51 0.00 0.00 72.50 67.43 2gpq s THR 116 CO 0.11 -0.56 0.06 -0.22 -2.21 0.00 0.00 174.62 171.80 2gpq s LEU 117 N 1.28 3.92 -0.14 9.08 2.96 0.29 -4.76 118.68 131.31 2gpq s LEU 117 Ca 0.04 0.26 -0.19 0.00 -0.22 0.00 0.00 54.13 54.03 2gpq s LEU 117 Cb -0.23 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 2gpq s LEU 117 CO -0.01 0.36 0.52 0.20 -1.32 0.00 0.00 176.35 176.10 2gpq s ASN 118 N -0.78 6.68 0.62 3.68 0.01 -1.26 -0.26 114.94 123.63 2gpq s ASN 118 Ca 0.13 0.81 0.34 0.00 -0.71 0.00 0.00 52.86 53.43 2gpq s ASN 118 Cb -0.12 -2.30 1.94 0.00 0.41 0.00 0.00 41.25 41.18 2gpq s ASN 118 CO 0.03 -0.08 2.21 0.11 -1.51 0.00 0.00 177.10 177.86 2gpq h LYS 119 N 6.99 0.00 -0.70 -0.60 1.79 -1.88 -2.10 116.57 120.07 2gpq h LYS 119 Ca -0.38 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.14 2gpq h LYS 119 Cb 1.17 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.77 2gpq h LYS 119 CO 0.75 0.00 0.41 1.96 -1.08 0.00 0.00 179.45 181.50 2gpq h GLN 120 N 0.00 0.75 -0.56 3.15 4.20 -1.92 -1.99 115.11 118.73 2gpq h GLN 120 Ca 0.03 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2gpq h GLN 120 Cb 0.21 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.82 2gpq h GLN 120 CO -0.00 0.50 0.00 1.04 -0.67 0.00 0.00 178.83 179.69 2gpq n GLN 121 N -4.73 3.88 0.13 1.46 6.02 -0.81 -4.53 117.38 118.80 2gpq n GLN 121 Ca 0.09 -2.90 0.19 0.00 -0.01 0.00 0.00 57.00 54.37 2gpq n GLN 121 Cb 0.15 -1.94 0.77 0.00 1.02 0.00 0.00 30.24 30.24 2gpq n GLN 121 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 2gpq h ARG 122 N 3.65 0.00 0.72 -1.09 1.12 -1.14 1.17 114.38 118.81 2gpq h ARG 122 Ca 0.00 0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 58.83 2gpq h ARG 122 Cb 1.54 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 31.51 2gpq h ARG 122 CO 0.28 0.00 -0.34 0.00 -3.11 0.00 0.00 179.97 176.80 2gpq h ARG 123 N 0.00 -0.93 0.03 0.20 3.08 -1.80 -2.59 114.38 112.38 2gpq h ARG 123 Ca 0.16 0.06 -0.36 0.00 0.07 0.00 0.00 59.98 59.91 2gpq h ARG 123 Cb 0.90 0.21 -0.05 0.00 0.08 0.00 0.00 29.97 31.11 2gpq h ARG 123 CO -0.00 -0.61 -2.03 0.45 -1.07 0.00 0.00 179.97 176.71 2gpq n SER 124 N -5.42 1.98 0.32 7.04 2.88 -0.94 -3.58 113.62 115.91 2gpq n SER 124 Ca -0.12 0.23 -0.17 0.00 -1.33 0.00 0.00 58.87 57.48 2gpq n SER 124 Cb 0.38 -0.79 -0.09 0.00 -0.75 0.00 0.00 64.21 62.97 2gpq n SER 124 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2gpq h ASP 125 N -0.51 -0.66 0.25 -3.46 1.82 0.12 -1.87 116.42 112.11 2gpq h ASP 125 Ca -0.51 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.13 2gpq h ASP 125 Cb 1.70 0.17 0.00 0.00 0.68 0.00 0.00 39.33 41.88 2gpq h ASP 125 CO -0.16 -0.45 -0.12 0.25 -1.61 0.00 0.00 179.24 177.15 2gpq h LEU 126 N -0.83 -0.29 -0.66 2.28 6.46 -1.44 0.63 115.31 121.47 2gpq h LEU 126 Ca -0.08 -0.24 0.13 0.00 -0.12 0.00 0.00 57.88 57.57 2gpq h LEU 126 Cb 0.62 0.07 -0.12 0.00 -0.73 0.00 0.00 40.66 40.50 2gpq h LEU 126 CO 0.13 0.16 -0.16 -0.78 -0.62 0.00 0.00 178.44 177.17 2gpq h ASP 127 N -0.81 -0.61 0.10 1.25 3.58 -1.52 0.62 116.42 119.04 2gpq h ASP 127 Ca -0.03 0.20 -0.21 0.00 0.42 0.00 0.00 57.03 57.40 2gpq h ASP 127 Cb 0.51 0.41 0.02 0.00 1.72 0.00 0.00 39.33 41.99 2gpq h ASP 127 CO 0.06 -0.22 -0.89 0.08 -2.88 0.00 0.00 179.24 175.39 2gpq h ARG 128 N 0.00 0.42 0.18 0.28 0.11 -1.41 -2.30 114.38 111.65 2gpq h ARG 128 Ca 0.32 -0.59 -0.01 0.00 0.10 0.00 0.00 59.98 59.80 2gpq h ARG 128 Cb 0.48 0.20 0.00 0.00 1.11 0.00 0.00 29.97 31.76 2gpq h ARG 128 CO -0.68 1.25 -0.08 0.74 0.10 0.00 0.00 179.97 181.30 2gpq h PHE 129 N -0.13 -0.22 -0.06 4.08 0.04 -0.41 -2.06 116.94 118.19 2gpq h PHE 129 Ca -0.14 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.62 2gpq h PHE 129 Cb 1.64 0.07 -0.00 0.00 2.20 0.00 0.00 35.95 39.86 2gpq h PHE 129 CO 0.16 0.01 0.00 2.35 -0.60 0.00 0.00 178.31 180.24 2gpq h TRP 130 N -0.42 0.11 -0.95 -0.55 2.91 0.08 0.22 115.95 117.36 2gpq h TRP 130 Ca -0.02 -0.02 0.25 0.00 1.13 0.00 0.00 58.89 60.23 2gpq h TRP 130 Cb 0.33 -0.03 -0.05 0.00 -0.51 0.00 0.00 29.16 28.90 2gpq h TRP 130 CO -0.01 0.36 0.65 1.25 -1.03 0.00 0.00 178.44 179.67 2gpq h LEU 131 N -0.17 0.18 0.00 0.65 6.46 -1.44 0.60 115.31 121.59 2gpq h LEU 131 Ca 0.02 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.80 2gpq h LEU 131 Cb 0.31 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.24 2gpq h LEU 131 CO 0.00 0.06 -0.00 -0.33 -0.62 0.00 0.00 178.44 177.55 2gpq h GLU 132 N 0.17 -0.00 -0.09 1.25 5.08 -1.01 -2.43 114.58 117.54 2gpq h GLU 132 Ca 0.48 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.85 2gpq h GLU 132 Cb 1.59 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.82 2gpq h GLU 132 CO -0.09 0.93 0.00 0.00 -1.00 0.00 0.00 179.01 178.85 2gpq h THR 133 N -0.96 0.94 0.29 1.13 1.03 0.83 1.01 112.91 117.19 2gpq h THR 133 Ca -0.00 -0.01 -0.01 0.00 -0.01 0.00 0.00 66.41 66.37 2gpq h THR 133 Cb 0.93 0.90 0.00 0.00 -1.07 0.00 0.00 68.15 68.92 2gpq h THR 133 CO 0.00 0.01 -0.14 0.25 -0.01 0.00 0.00 175.52 175.63 2gpq h LEU 134 N 0.04 -0.33 -0.38 0.00 6.46 -0.03 1.03 115.31 122.10 2gpq h LEU 134 Ca 0.04 -0.10 -0.03 0.00 -0.12 0.00 0.00 57.88 57.67 2gpq h LEU 134 Cb 0.05 0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.05 2gpq h LEU 134 CO -0.07 -0.10 0.11 0.25 -0.62 0.00 0.00 178.44 178.01 2gpq h LEU 135 N -0.56 0.56 -0.71 2.25 5.85 -1.38 -2.70 115.31 118.62 2gpq h LEU 135 Ca -0.04 -0.21 -0.14 0.00 0.84 0.00 0.00 57.88 58.33 2gpq h LEU 135 Cb 0.41 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 2gpq h LEU 135 CO 0.07 0.63 -0.63 0.00 -0.34 0.00 0.00 178.44 178.16 2gpq h LEU 137 N 0.02 -0.33 0.02 0.00 7.12 0.14 2.01 115.31 124.28 2gpq h LEU 137 Ca -0.01 0.06 -0.22 0.00 0.13 0.00 0.00 57.88 57.84 2gpq h LEU 137 Cb 1.13 0.15 -0.03 0.00 -0.53 0.00 0.00 40.66 41.38 2gpq h LEU 137 CO 0.08 -0.15 -1.09 0.16 -0.13 0.00 0.00 178.44 177.31 2gpq h ILE 138 N -0.16 1.62 0.00 4.05 3.07 -1.45 -3.41 117.51 121.23 2gpq h ILE 138 Ca 0.06 -3.33 0.00 0.00 1.55 0.00 0.00 64.86 63.14 2gpq h ILE 138 Cb 0.24 2.83 0.00 0.00 -0.27 0.00 0.00 36.82 39.62 2gpq h ILE 138 CO -0.15 0.93 0.00 0.61 -1.05 0.00 0.00 178.15 178.49 2gpq n GLY 139 N 1.39 1.11 2.69 0.16 0.00 0.31 -4.95 105.19 105.91 2gpq n GLY 139 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 2gpq n GLY 139 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2gpq n GLU 140 N -0.91 0.22 -0.05 1.61 -0.00 0.59 -4.98 120.64 117.12 2gpq n GLU 140 Ca 0.00 -1.08 -0.06 0.00 -0.00 0.00 0.00 57.16 56.02 2gpq n GLU 140 Cb 0.00 -0.30 -0.02 0.00 -0.00 0.00 0.00 31.44 31.12 2gpq n GLU 140 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2gpq n SER 141 N 2.55 1.30 -1.43 -1.84 2.88 0.36 -4.56 113.62 112.87 2gpq n SER 141 Ca 0.12 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 2gpq n SER 141 Cb 0.63 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2gpq n SER 141 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2gpq n PHE 142 N -3.80 0.00 -1.45 0.66 3.72 -1.26 -4.97 117.46 110.35 2gpq n PHE 142 Ca -0.09 -0.90 0.00 0.00 -0.05 0.00 0.00 57.45 56.41 2gpq n PHE 142 Cb 0.33 -0.45 0.00 0.00 -0.94 0.00 0.00 39.48 38.42 2gpq n PHE 142 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2gpq n ASP 143 N 1.35 -1.10 0.29 4.37 2.03 -1.26 -2.33 116.55 119.90 2gpq n ASP 143 Ca 0.00 0.00 0.19 0.00 0.52 0.00 0.00 54.79 55.50 2gpq n ASP 143 Cb 0.49 0.00 1.03 0.00 -0.72 0.00 0.00 41.12 41.91 2gpq n ASP 143 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2gpq h ASP 144 N 0.00 0.00 -0.52 1.67 5.19 -1.97 -2.50 116.42 118.29 2gpq h ASP 144 Ca 0.00 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 56.07 2gpq h ASP 144 Cb 0.00 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 39.36 2gpq h ASP 144 CO 0.00 0.00 0.45 -1.22 -3.12 0.00 0.00 179.24 175.35 2gpq n TYR 145 N -2.84 1.67 -1.17 4.55 4.02 -0.98 -4.32 117.16 118.09 2gpq n TYR 145 Ca -0.02 -1.97 -0.10 0.00 -0.01 0.00 0.00 57.90 55.80 2gpq n TYR 145 Cb 0.07 -0.96 0.25 0.00 -0.02 0.00 0.00 39.34 38.68 2gpq n TYR 145 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2gpq n SER 146 N 0.18 4.00 -0.08 7.72 3.41 -0.94 -4.31 113.62 123.61 2gpq n SER 146 Ca 0.33 -3.43 -0.06 0.00 -0.26 0.00 0.00 58.87 55.45 2gpq n SER 146 Cb 0.64 -0.74 -0.16 0.00 -0.26 0.00 0.00 64.21 63.69 2gpq n SER 146 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2gpq n ASP 147 N -0.66 0.06 -0.20 4.04 8.00 -1.26 -4.38 116.55 122.15 2gpq n ASP 147 Ca 0.44 0.03 -0.09 0.00 0.71 0.00 0.00 54.79 55.88 2gpq n ASP 147 Cb 1.37 1.09 0.02 0.00 -0.02 0.00 0.00 41.12 43.58 2gpq n ASP 147 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2gpq h ASP 148 N 0.00 0.89 -1.32 -2.24 3.32 -1.94 -3.42 116.42 111.71 2gpq h ASP 148 Ca -0.44 -0.26 -0.61 0.00 0.02 0.00 0.00 57.03 55.74 2gpq h ASP 148 Cb 2.02 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 41.31 2gpq h ASP 148 CO 0.03 0.93 1.49 0.55 -1.72 0.00 0.00 179.24 180.51 2gpq n VAL 149 N -4.34 0.18 -0.29 -1.35 3.14 -1.26 0.13 118.33 114.54 2gpq n VAL 149 Ca 0.02 -0.37 -0.05 0.00 -2.96 0.00 0.00 64.34 60.98 2gpq n VAL 149 Cb 0.27 -1.96 0.07 0.00 -1.06 0.00 0.00 33.84 31.16 2gpq n VAL 149 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2gpq n GLY 151 N -0.89 0.34 3.08 0.00 0.00 -1.07 -2.20 105.19 104.46 2gpq n GLY 151 Ca 0.07 -1.00 -0.25 0.00 0.00 0.00 0.00 46.02 44.85 2gpq n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gpq s ALA 152 N -1.76 1.34 0.02 4.61 0.00 0.24 -1.02 121.76 125.19 2gpq s ALA 152 Ca 0.22 -0.56 0.08 0.00 0.00 0.00 0.00 51.96 51.71 2gpq s ALA 152 Cb -0.01 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 2gpq s ALA 152 CO -0.00 0.22 -0.25 0.54 0.00 0.00 0.00 175.76 176.27 2gpq s VAL 153 N 0.19 2.24 -0.23 0.00 0.11 0.51 0.15 120.40 123.36 2gpq s VAL 153 Ca -0.06 -1.27 0.00 0.00 -2.93 0.00 0.00 61.98 57.73 2gpq s VAL 153 Cb -0.12 -1.85 0.06 0.00 -1.53 0.00 0.00 36.38 32.94 2gpq s VAL 153 CO 0.02 0.43 -0.05 -0.69 -3.33 0.00 0.00 175.10 171.48 2gpq s VAL 154 N -0.77 1.42 -0.19 2.04 1.01 0.41 0.52 120.40 124.85 2gpq s VAL 154 Ca 0.12 -1.13 -0.01 0.00 0.00 0.00 0.00 61.98 60.95 2gpq s VAL 154 Cb -0.10 -1.70 0.01 0.00 0.00 0.00 0.00 36.38 34.58 2gpq s VAL 154 CO 0.02 -0.10 -0.13 0.20 0.00 0.00 0.00 175.10 175.09 2gpq s ASN 155 N 1.45 3.65 -0.40 3.32 0.01 0.93 0.23 114.94 124.11 2gpq s ASN 155 Ca -0.05 -0.53 -0.09 0.00 -0.71 0.00 0.00 52.86 51.48 2gpq s ASN 155 Cb -0.19 -1.59 0.07 0.00 0.41 0.00 0.00 41.25 39.95 2gpq s ASN 155 CO -0.06 0.00 0.24 -0.69 -1.51 0.00 0.00 177.10 175.07 2gpq s VAL 156 N 1.31 4.24 0.30 1.60 1.01 -1.07 0.11 120.40 127.89 2gpq s VAL 156 Ca 0.04 -1.29 -0.29 0.00 0.00 0.00 0.00 61.98 60.44 2gpq s VAL 156 Cb -0.14 -3.54 -0.10 0.00 0.00 0.00 0.00 36.38 32.60 2gpq s VAL 156 CO -0.08 -0.43 1.17 -0.60 0.00 0.00 0.00 175.10 175.16 2gpq s ARG 157 N 1.44 4.53 0.66 2.72 3.52 0.42 -2.30 118.95 129.94 2gpq s ARG 157 Ca 0.02 1.95 0.26 0.00 -0.13 0.00 0.00 55.73 57.83 2gpq s ARG 157 Cb -0.22 -3.14 1.43 0.00 -1.56 0.00 0.00 34.95 31.46 2gpq s ARG 157 CO 0.03 0.07 1.80 0.00 -0.81 0.00 0.00 175.30 176.39 2gpq h ALA 158 N 3.65 1.41 -0.39 6.12 0.00 -1.95 0.93 119.26 129.03 2gpq h ALA 158 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2gpq h ALA 158 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2gpq h ALA 158 CO 0.66 -0.41 0.00 1.63 0.00 0.00 0.00 179.25 181.14 2gpq n LYS 159 N -2.83 2.37 0.00 0.00 5.02 -1.26 -5.02 118.16 116.44 2gpq n LYS 159 Ca -0.02 -2.15 0.00 0.00 -2.02 0.00 0.00 58.31 54.13 2gpq n LYS 159 Cb 0.45 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 2gpq n LYS 159 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2gpq n GLY 160 N 1.17 2.62 3.82 0.72 0.00 0.32 -4.42 105.19 109.43 2gpq n GLY 160 Ca 0.17 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 2gpq n GLY 160 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gpq s ASP 161 N 0.00 6.98 0.00 1.61 1.11 0.64 0.16 116.67 127.17 2gpq s ASP 161 Ca 0.00 1.23 0.04 0.00 0.18 0.00 0.00 52.55 53.99 2gpq s ASP 161 Cb 0.00 -2.35 -0.01 0.00 1.07 0.00 0.00 42.92 41.63 2gpq s ASP 161 CO 0.00 0.16 -0.12 -0.54 1.18 0.00 0.00 175.17 175.86 2gpq s LYS 162 N -1.60 0.90 -0.04 8.23 -0.14 0.29 0.10 119.74 127.50 2gpq s LYS 162 Ca 0.35 -0.50 0.03 0.00 -1.36 0.00 0.00 55.97 54.49 2gpq s LYS 162 Cb -0.17 -0.87 0.01 0.00 -1.68 0.00 0.00 37.83 35.11 2gpq s LYS 162 CO 0.20 0.23 -0.10 0.42 -0.76 0.00 0.00 175.35 175.34 2gpq s ILE 163 N -0.44 0.91 0.03 2.17 1.09 -0.95 -0.05 121.20 123.96 2gpq s ILE 163 Ca 0.03 -0.40 0.02 0.00 -1.10 0.00 0.00 60.65 59.20 2gpq s ILE 163 Cb -0.05 -0.82 -0.02 0.00 -1.06 0.00 0.00 42.46 40.51 2gpq s ILE 163 CO -0.00 0.29 -0.07 0.00 -0.10 0.00 0.00 174.94 175.05 2gpq s ALA 164 N 0.35 0.57 -0.01 9.38 0.00 0.19 0.12 121.76 132.35 2gpq s ALA 164 Ca -0.07 -0.58 0.04 0.00 0.00 0.00 0.00 51.96 51.36 2gpq s ALA 164 Cb -0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 2gpq s ALA 164 CO 0.01 0.05 -0.13 0.42 0.00 0.00 0.00 175.76 176.11 2gpq s ILE 165 N -0.88 1.02 -0.06 0.00 1.01 -0.92 0.19 121.20 121.56 2gpq s ILE 165 Ca -0.05 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.08 2gpq s ILE 165 Cb -0.07 -0.86 -0.03 0.00 0.01 0.00 0.00 42.46 41.51 2gpq s ILE 165 CO 0.00 0.29 -0.10 0.26 0.00 0.00 0.00 174.94 175.39 2gpq s TRP 166 N -0.21 2.83 0.18 3.97 0.52 -0.19 -0.54 118.94 125.50 2gpq s TRP 166 Ca 0.03 -0.08 -0.04 0.00 0.02 0.00 0.00 56.10 56.03 2gpq s TRP 166 Cb -0.06 -1.68 -0.05 0.00 -1.15 0.00 0.00 33.47 30.53 2gpq s TRP 166 CO -0.00 0.25 0.41 0.99 0.02 0.00 0.00 176.95 178.62 2gpq s THR 167 N -0.73 5.14 -0.00 2.01 2.01 0.45 0.18 115.64 124.71 2gpq s THR 167 Ca 0.11 -0.03 -0.23 0.00 0.31 0.00 0.00 61.69 61.85 2gpq s THR 167 Cb -0.11 -3.66 -0.18 0.00 0.01 0.00 0.00 72.50 68.56 2gpq s THR 167 CO 0.01 -0.06 1.26 0.74 -0.69 0.00 0.00 174.62 175.88 2gpq h THR 168 N 1.84 1.40 -3.58 -0.82 2.02 0.78 -2.66 112.91 111.89 2gpq h THR 168 Ca -0.47 -1.36 -0.66 0.00 0.77 0.00 0.00 66.41 64.70 2gpq h THR 168 Cb 1.17 2.15 -0.39 0.00 -1.74 0.00 0.00 68.15 69.34 2gpq h THR 168 CO 0.71 0.38 -0.66 -1.61 0.37 0.00 0.00 175.52 174.70 2gpq s GLU 169 N -4.07 1.72 0.62 6.66 2.02 -1.26 -3.73 118.70 120.65 2gpq s GLU 169 Ca -0.15 -2.10 0.24 0.00 0.02 0.00 0.00 54.97 52.98 2gpq s GLU 169 Cb 0.03 -3.31 1.33 0.00 0.10 0.00 0.00 34.13 32.28 2gpq s GLU 169 CO 0.72 -1.01 1.73 0.00 0.02 0.00 0.00 175.26 176.72 2gpq h GLU 171 N 0.00 0.00 -3.46 0.00 4.11 -1.94 -3.34 114.58 109.95 2gpq h GLU 171 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.90 2gpq h GLU 171 Cb 0.80 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.07 2gpq h GLU 171 CO 0.00 0.12 3.03 0.09 0.07 0.00 0.00 179.01 182.32 2gpq n ASN 172 N -3.25 5.82 0.02 3.06 5.03 0.34 -4.63 115.26 121.65 2gpq n ASN 172 Ca 0.01 -2.49 0.22 0.00 0.87 0.00 0.00 54.58 53.19 2gpq n ASN 172 Cb 0.39 -1.30 0.69 0.00 -1.02 0.00 0.00 39.78 38.54 2gpq n ASN 172 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.26 175.51 2gpq h ARG 173 N 6.04 0.00 -0.05 3.52 -0.00 -1.81 0.90 114.38 122.98 2gpq h ARG 173 Ca 0.62 0.00 -0.09 0.00 -0.00 0.00 0.00 59.98 60.51 2gpq h ARG 173 Cb 0.30 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.25 2gpq h ARG 173 CO 1.65 0.00 -0.39 0.93 -0.00 0.00 0.00 179.97 182.16 2gpq h GLU 174 N 0.00 0.09 0.14 0.08 5.08 -1.94 0.82 114.58 118.85 2gpq h GLU 174 Ca 0.26 -0.04 -0.36 0.00 -1.00 0.00 0.00 59.36 58.22 2gpq h GLU 174 Cb 1.49 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.73 2gpq h GLU 174 CO -0.00 0.48 -1.95 0.00 -1.00 0.00 0.00 179.01 176.54 2gpq h ALA 175 N 1.52 0.38 -0.37 3.43 0.00 0.37 -1.98 119.26 122.61 2gpq h ALA 175 Ca 0.01 -1.34 -0.13 0.00 0.00 0.00 0.00 54.91 53.44 2gpq h ALA 175 Cb 0.74 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 2gpq h ALA 175 CO 0.05 1.25 -0.29 0.28 0.00 0.00 0.00 179.25 180.55 2gpq h VAL 176 N 0.07 1.28 0.00 0.00 2.07 -0.92 -2.08 116.25 116.67 2gpq h VAL 176 Ca -0.41 -1.45 -0.00 0.00 0.82 0.00 0.00 66.70 65.66 2gpq h VAL 176 Cb 2.04 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 33.21 2gpq h VAL 176 CO 0.11 0.48 -0.02 0.74 0.02 0.00 0.00 177.57 178.89 2gpq h THR 177 N 0.64 0.66 0.35 2.57 2.02 0.51 -0.82 112.91 118.84 2gpq h THR 177 Ca 0.07 -1.50 -0.00 0.00 0.77 0.00 0.00 66.41 65.75 2gpq h THR 177 Cb 0.86 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.50 2gpq h THR 177 CO 0.08 0.22 -0.41 -0.74 0.37 0.00 0.00 175.52 175.04 2gpq h HIS 178 N -1.00 -1.14 -0.26 3.16 6.17 -1.44 1.04 115.15 121.68 2gpq h HIS 178 Ca -0.00 0.01 -0.18 0.00 0.71 0.00 0.00 60.37 60.91 2gpq h HIS 178 Cb 0.39 0.45 -0.00 0.00 2.52 0.00 0.00 27.41 30.77 2gpq h HIS 178 CO 0.10 -0.56 -0.56 -0.84 0.71 0.00 0.00 177.93 176.78 2gpq h ILE 179 N -0.80 1.28 -0.36 6.26 -0.00 -1.52 -1.91 117.51 120.48 2gpq h ILE 179 Ca -0.02 -1.76 0.01 0.00 -0.00 0.00 0.00 64.86 63.08 2gpq h ILE 179 Cb 0.73 1.68 -0.02 0.00 -0.00 0.00 0.00 36.82 39.21 2gpq h ILE 179 CO -0.11 0.57 0.22 1.23 -0.00 0.00 0.00 178.15 180.07 2gpq h GLY 180 N 0.77 0.50 2.00 0.16 0.00 -0.93 0.15 103.07 105.72 2gpq h GLY 180 Ca 0.01 -0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.12 2gpq h GLY 180 CO 0.12 0.16 -0.22 -0.09 0.00 0.00 0.00 176.54 176.51 2gpq h ARG 181 N 0.45 0.00 -0.16 4.80 1.12 0.11 -2.50 114.38 118.21 2gpq h ARG 181 Ca 0.14 0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 58.96 2gpq h ARG 181 Cb -0.03 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 29.93 2gpq h ARG 181 CO -0.05 0.22 -0.07 0.28 -3.11 0.00 0.00 179.97 177.24 2gpq h VAL 182 N 0.00 1.31 -0.57 0.20 2.07 -0.41 1.01 116.25 119.87 2gpq h VAL 182 Ca -0.00 -1.11 0.09 0.00 0.82 0.00 0.00 66.70 66.50 2gpq h VAL 182 Cb 0.41 1.71 -0.07 0.00 -1.52 0.00 0.00 31.29 31.82 2gpq h VAL 182 CO 0.03 0.33 0.19 0.22 0.02 0.00 0.00 177.57 178.35 2gpq h TYR 183 N 0.00 0.32 0.06 1.57 5.03 -0.58 1.27 116.97 124.64 2gpq h TYR 183 Ca 0.04 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.37 2gpq h TYR 183 Cb 0.54 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 38.76 2gpq h TYR 183 CO 0.06 0.07 -0.03 1.57 -1.32 0.00 0.00 178.16 178.51 2gpq h LYS 184 N 0.36 -0.08 -0.02 1.82 2.10 -1.39 -1.61 116.57 117.74 2gpq h LYS 184 Ca 0.28 0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 58.92 2gpq h LYS 184 Cb 0.35 0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.70 2gpq h LYS 184 CO -0.31 0.39 -0.08 1.05 -2.00 0.00 0.00 179.45 178.50 2gpq h GLU 185 N -0.96 0.03 0.00 0.07 -0.00 0.12 -1.88 114.58 111.95 2gpq h GLU 185 Ca -0.01 -0.00 -0.19 0.00 -0.00 0.00 0.00 59.36 59.16 2gpq h GLU 185 Cb 0.51 -0.01 -0.03 0.00 -0.00 0.00 0.00 28.75 29.22 2gpq h GLU 185 CO 0.01 0.11 -1.17 -0.09 -0.00 0.00 0.00 179.01 177.87 2gpq h ARG 186 N 0.03 0.00 0.00 1.06 1.12 0.15 -3.24 114.38 113.50 2gpq h ARG 186 Ca 0.01 0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 58.83 2gpq h ARG 186 Cb 0.17 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.12 2gpq h ARG 186 CO 0.01 0.52 -0.22 -0.07 -3.11 0.00 0.00 179.97 177.11 2gpq h LEU 187 N 0.00 0.00 -0.68 3.80 -0.00 -0.57 -3.47 115.31 114.39 2gpq h LEU 187 Ca -0.12 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 57.53 2gpq h LEU 187 Cb 1.66 0.00 0.07 0.00 -0.00 0.00 0.00 40.66 42.40 2gpq h LEU 187 CO 0.07 0.22 -0.38 0.61 -0.00 0.00 0.00 178.44 178.96 2gpq n GLY 188 N 0.06 0.08 1.53 0.83 0.00 -0.78 -4.72 105.19 102.19 2gpq n GLY 188 Ca -0.00 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 2gpq n GLY 188 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2gpq n LEU 189 N -2.96 -0.65 0.01 0.99 -0.00 -1.23 -4.76 117.00 108.38 2gpq n LEU 189 Ca -0.01 -0.25 -0.12 0.00 -0.00 0.00 0.00 56.01 55.63 2gpq n LEU 189 Cb 0.54 -0.23 -0.07 0.00 -0.00 0.00 0.00 43.42 43.66 2gpq n LEU 189 CO 0.35 -0.63 0.80 -0.65 -0.00 0.00 0.00 177.39 177.26 2gpq h PRO 190 N 4.80 0.06 0.00 1.47 0.11 -1.96 -3.40 132.00 133.08 2gpq h PRO 190 Ca 0.02 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2gpq h PRO 190 Cb 0.49 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.59 2gpq h PRO 190 CO 0.71 0.21 0.00 -0.35 -0.21 0.00 0.00 178.00 178.36 2gpq n PRO 191 N -4.97 0.00 -2.66 1.05 -0.04 -1.26 -4.99 135.00 122.13 2gpq n PRO 191 Ca -0.07 0.17 -0.04 0.00 -0.04 0.00 0.00 63.50 63.53 2gpq n PRO 191 Cb 0.11 -0.63 0.06 0.00 -0.04 0.00 0.00 33.50 32.99 2gpq n PRO 191 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2gpq n LYS 192 N -1.19 0.20 -2.34 0.54 4.81 -1.26 -5.11 118.16 113.82 2gpq n LYS 192 Ca 0.00 -0.76 -0.40 0.00 -0.87 0.00 0.00 58.31 56.28 2gpq n LYS 192 Cb 0.00 -0.10 -0.03 0.00 0.02 0.00 0.00 35.03 34.92 2gpq n LYS 192 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2gpq s ILE 193 N 0.04 3.59 -0.35 3.15 1.01 -1.26 -4.97 121.20 122.41 2gpq s ILE 193 Ca 0.13 0.36 -0.17 0.00 0.00 0.00 0.00 60.65 60.96 2gpq s ILE 193 Cb 0.19 -4.50 -0.00 0.00 0.01 0.00 0.00 42.46 38.16 2gpq s ILE 193 CO -0.11 -1.43 0.48 0.68 0.00 0.00 0.00 174.94 174.56 2gpq s VAL 194 N 7.02 5.05 -0.24 2.92 -7.23 -1.26 -4.86 120.40 121.79 2gpq s VAL 194 Ca 0.49 0.24 -0.29 0.00 -1.81 0.00 0.00 61.98 60.61 2gpq s VAL 194 Cb -0.10 -3.94 -0.01 0.00 0.56 0.00 0.00 36.38 32.89 2gpq s VAL 194 CO 0.18 -0.21 1.28 0.27 -0.31 0.00 0.00 175.10 176.32 2gpq s ILE 195 N 2.31 4.21 0.30 -0.62 -4.36 -0.33 -4.10 121.20 118.61 2gpq s ILE 195 Ca 0.17 1.42 -0.28 0.00 -0.26 0.00 0.00 60.65 61.70 2gpq s ILE 195 Cb -0.16 -4.09 -0.09 0.00 1.25 0.00 0.00 42.46 39.37 2gpq s ILE 195 CO 0.13 -0.32 1.00 -0.83 0.24 0.00 0.00 174.94 175.16 2gpq s GLY 196 N 2.42 2.95 -0.25 6.27 0.00 0.18 -2.09 107.32 116.78 2gpq s GLY 196 Ca 0.55 0.68 -0.10 0.00 0.00 0.00 0.00 44.72 45.86 2gpq s GLY 196 CO 0.19 1.20 0.14 -0.47 0.00 0.00 0.00 173.10 174.16 2gpq s TYR 197 N -1.38 3.21 -0.27 1.90 6.14 0.30 0.15 117.35 127.40 2gpq s TYR 197 Ca 0.47 0.01 0.02 0.00 0.64 0.00 0.00 57.07 58.21 2gpq s TYR 197 Cb -0.25 -2.29 0.07 0.00 0.42 0.00 0.00 41.96 39.91 2gpq s TYR 197 CO 0.31 -0.13 -0.05 -1.14 0.64 0.00 0.00 175.55 175.18 2gpq s GLN 198 N 1.44 1.81 -0.29 4.97 2.00 0.20 -0.89 119.66 128.90 2gpq s GLN 198 Ca 0.07 -1.28 -0.02 0.00 -2.00 0.00 0.00 55.36 52.12 2gpq s GLN 198 Cb -0.15 -2.78 0.04 0.00 0.80 0.00 0.00 33.01 30.92 2gpq s GLN 198 CO 0.07 -0.66 -0.01 -1.12 -0.50 0.00 0.00 175.29 173.07 2gpq s SER 199 N 1.21 4.80 0.31 6.67 0.01 -1.26 -0.57 113.70 124.86 2gpq s SER 199 Ca -0.04 -1.17 0.25 0.00 1.31 0.00 0.00 55.95 56.30 2gpq s SER 199 Cb -0.19 -1.71 0.66 0.00 0.21 0.00 0.00 66.02 64.98 2gpq s SER 199 CO -0.07 -0.23 1.72 -0.74 0.41 0.00 0.00 173.24 174.32 2gpq h HIS 200 N 8.02 0.00 -0.48 2.43 2.76 -1.64 -3.27 115.15 122.97 2gpq h HIS 200 Ca -0.24 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 57.86 2gpq h HIS 200 Cb 1.07 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.01 2gpq h HIS 200 CO 0.61 0.00 -0.00 0.00 -1.30 0.00 0.00 177.93 177.24 2gpq h ALA 201 N 2.30 1.10 0.00 5.26 0.00 -1.27 -2.93 119.26 123.73 2gpq h ALA 201 Ca 0.00 -0.26 -0.20 0.00 0.00 0.00 0.00 54.91 54.45 2gpq h ALA 201 Cb 0.82 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2gpq h ALA 201 CO 0.00 0.57 -0.89 -0.44 0.00 0.00 0.00 179.25 178.49 2gpq h ASP 202 N 0.74 0.29 -0.12 0.00 5.19 -1.85 -3.15 116.42 117.52 2gpq h ASP 202 Ca 0.14 -0.24 0.04 0.00 -0.62 0.00 0.00 57.03 56.35 2gpq h ASP 202 Cb 0.45 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 39.87 2gpq h ASP 202 CO 0.02 1.04 0.23 0.71 -3.12 0.00 0.00 179.24 178.12 2gpq h THR 203 N 0.12 0.25 -2.38 0.35 1.35 -1.61 -3.43 112.91 107.56 2gpq h THR 203 Ca -0.05 0.00 -0.56 0.00 -0.55 0.00 0.00 66.41 65.25 2gpq h THR 203 Cb 1.52 0.80 0.05 0.00 -1.73 0.00 0.00 68.15 68.79 2gpq h THR 203 CO 0.14 0.00 0.91 0.00 -0.25 0.00 0.00 175.52 176.31 2gpq n ALA 204 N -2.17 1.81 -0.97 6.62 0.00 -1.19 -4.81 120.51 119.80 2gpq n ALA 204 Ca 0.00 0.41 -0.35 0.00 0.00 0.00 0.00 53.44 53.51 2gpq n ALA 204 Cb 0.33 -2.43 -0.04 0.00 0.00 0.00 0.00 19.45 17.30 2gpq n ALA 204 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2gpq n THR 205 N 3.81 1.96 -0.10 0.00 -2.24 -1.26 -4.27 114.28 112.19 2gpq n THR 205 Ca 0.17 -1.48 -0.10 0.00 -2.27 0.00 0.00 64.05 60.38 2gpq n THR 205 Cb 0.31 -2.23 -0.16 0.00 -2.10 0.00 0.00 70.33 66.15 2gpq n THR 205 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2gpq n LYS 206 N 5.97 0.69 -1.00 -0.78 2.85 -1.26 -5.07 118.16 119.57 2gpq n LYS 206 Ca 0.46 -0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.71 2gpq n LYS 206 Cb 0.30 -1.52 0.00 0.00 -0.65 0.00 0.00 35.03 33.15 2gpq n LYS 206 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2gpq n SER 207 N -2.74 0.00 -4.47 -5.58 3.41 -1.26 -5.10 113.62 97.88 2gpq n SER 207 Ca -0.32 -0.93 -0.43 0.00 -0.26 0.00 0.00 58.87 56.92 2gpq n SER 207 Cb 1.15 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 65.07 2gpq n SER 207 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2gpq s GLY 208 N -1.07 1.60 1.08 5.00 0.00 -1.26 -5.02 107.32 107.65 2gpq s GLY 208 Ca 0.00 -2.32 -0.18 0.00 0.00 0.00 0.00 44.72 42.22 2gpq s GLY 208 CO 0.00 2.15 1.24 -0.56 0.00 0.00 0.00 173.10 175.92 2gpq s SER 209 N 3.84 2.02 0.11 1.64 0.01 -1.26 -5.04 113.70 115.03 2gpq s SER 209 Ca 0.31 0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.95 2gpq s SER 209 Cb -0.08 -0.47 0.00 0.00 0.21 0.00 0.00 66.02 65.68 2gpq s SER 209 CO -0.02 -3.42 0.00 1.07 0.41 0.00 0.00 173.24 171.28 2gpq n THR 210 N -4.25 0.00 0.00 1.44 5.66 -1.26 -5.04 114.28 110.83 2gpq n THR 210 Ca 0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.15 2gpq n THR 210 Cb 0.59 -0.48 0.00 0.00 -1.55 0.00 0.00 70.33 68.89 2gpq n THR 210 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 2gpq n THR 211 N -2.87 0.00 -0.22 1.09 5.66 -1.26 -5.02 114.28 111.67 2gpq n THR 211 Ca 0.00 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.01 2gpq n THR 211 Cb 0.00 0.00 0.24 0.00 -1.55 0.00 0.00 70.33 69.02 2gpq n THR 211 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2gpq h LYS 212 N 0.00 0.99 -5.04 1.09 1.79 -1.98 -3.43 116.57 109.99 2gpq h LYS 212 Ca 0.00 -0.06 -0.40 0.00 -2.18 0.00 0.00 60.65 58.01 2gpq h LYS 212 Cb 0.00 -0.22 -0.25 0.00 -1.58 0.00 0.00 32.23 30.18 2gpq h LYS 212 CO 0.00 0.66 -0.78 0.54 -1.08 0.00 0.00 179.45 178.79 2gpq s ASN 213 N -6.36 1.37 0.00 0.86 2.20 -1.26 -4.94 114.94 106.80 2gpq s ASN 213 Ca -0.11 -0.40 0.00 0.00 -0.94 0.00 0.00 52.86 51.41 2gpq s ASN 213 Cb 0.18 -0.08 0.00 0.00 -2.00 0.00 0.00 41.25 39.34 2gpq s ASN 213 CO 0.78 0.01 0.00 -1.14 -2.94 0.00 0.00 177.10 173.81 2gpq n ARG 214 N 2.06 0.00 -3.91 3.55 0.00 -0.07 -4.86 116.66 113.42 2gpq n ARG 214 Ca -0.18 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.53 2gpq n ARG 214 Cb 0.55 0.00 -0.15 0.00 0.00 0.00 0.00 32.46 32.86 2gpq n ARG 214 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.63 177.04 2gpq s PHE 215 N 0.00 0.17 -0.11 -0.14 -0.12 -1.23 -4.90 117.98 111.65 2gpq s PHE 215 Ca 0.00 0.01 0.04 0.00 -0.05 0.00 0.00 56.93 56.93 2gpq s PHE 215 Cb 0.00 -0.21 0.00 0.00 -0.63 0.00 0.00 43.02 42.18 2gpq s PHE 215 CO 0.00 -0.06 -0.23 0.14 -0.05 0.00 0.00 175.22 175.02 2gpq s VAL 216 N 0.48 2.11 0.00 -2.49 -7.23 -1.26 0.11 120.40 112.12 2gpq s VAL 216 Ca -0.04 -1.00 0.00 0.00 -1.81 0.00 0.00 61.98 59.13 2gpq s VAL 216 Cb -0.07 -1.81 0.00 0.00 0.56 0.00 0.00 36.38 35.06 2gpq s VAL 216 CO -0.01 0.56 0.00 0.52 -0.31 0.00 0.00 175.10 175.85