#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gpq s ALA 2 N 0.00 4.60 -0.34 3.04 0.00 -1.26 -5.09 121.76 122.71 2gpq s ALA 2 Ca 0.00 -1.93 -0.09 0.00 0.00 0.00 0.00 51.96 49.94 2gpq s ALA 2 Cb 0.00 -1.43 0.02 0.00 0.00 0.00 0.00 23.12 21.71 2gpq s ALA 2 CO 0.00 -0.62 0.16 0.95 0.00 0.00 0.00 175.76 176.24 2gpq s THR 3 N -2.57 4.33 -0.35 0.00 -4.23 -1.26 -5.07 115.64 106.49 2gpq s THR 3 Ca 0.57 -0.80 -0.14 0.00 -1.18 0.00 0.00 61.69 60.14 2gpq s THR 3 Cb -0.07 -3.35 -0.01 0.00 1.34 0.00 0.00 72.50 70.41 2gpq s THR 3 CO 0.35 -0.11 0.28 0.54 -0.54 0.00 0.00 174.62 175.13 2gpq s VAL 4 N 1.53 5.26 0.16 2.29 0.11 -1.26 -5.08 120.40 123.40 2gpq s VAL 4 Ca 0.02 -0.23 0.06 0.00 -2.93 0.00 0.00 61.98 58.89 2gpq s VAL 4 Cb -0.18 -3.77 -0.04 0.00 -1.53 0.00 0.00 36.38 30.85 2gpq s VAL 4 CO 0.05 -0.08 0.05 -1.61 -3.33 0.00 0.00 175.10 170.19 2gpq s GLU 5 N 1.78 2.63 0.25 1.54 2.02 -1.26 -5.10 118.70 120.56 2gpq s GLU 5 Ca 0.07 -0.96 -0.30 0.00 0.02 0.00 0.00 54.97 53.80 2gpq s GLU 5 Cb -0.17 -2.51 -0.09 0.00 0.10 0.00 0.00 34.13 31.46 2gpq s GLU 5 CO 0.11 0.48 1.27 -1.25 0.02 0.00 0.00 175.26 175.89 2gpq s PRO 6 N -2.90 4.42 0.62 0.39 0.04 -1.26 -4.82 135.00 131.50 2gpq s PRO 6 Ca 0.29 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.38 2gpq s PRO 6 Cb -0.10 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.28 2gpq s PRO 6 CO 0.20 -0.16 0.00 -1.91 0.04 0.00 0.00 177.00 175.18 2gpq n GLU 7 N 1.86 -2.32 -3.31 4.56 4.07 -1.26 -4.72 120.64 119.53 2gpq n GLU 7 Ca 0.03 1.53 -0.38 0.00 -0.06 0.00 0.00 57.16 58.28 2gpq n GLU 7 Cb 0.43 -2.83 -0.06 0.00 -0.06 0.00 0.00 31.44 28.92 2gpq n GLU 7 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 2gpq s THR 8 N -1.79 5.17 0.09 6.31 -4.23 -1.26 -5.08 115.64 114.86 2gpq s THR 8 Ca 0.00 0.93 0.09 0.00 -1.18 0.00 0.00 61.69 61.53 2gpq s THR 8 Cb 0.00 -3.81 -0.03 0.00 1.34 0.00 0.00 72.50 69.99 2gpq s THR 8 CO 0.00 0.29 -0.23 0.42 -0.54 0.00 0.00 174.62 174.56 2gpq s THR 9 N 0.88 1.91 0.24 3.99 -4.23 -1.26 -5.11 115.64 112.06 2gpq s THR 9 Ca 0.25 -1.53 -0.31 0.00 -1.18 0.00 0.00 61.69 58.92 2gpq s THR 9 Cb -0.15 -1.70 -0.14 0.00 1.34 0.00 0.00 72.50 71.86 2gpq s THR 9 CO 0.10 0.07 1.29 -2.65 -0.54 0.00 0.00 174.62 172.89 2gpq n PRO 10 N 1.23 1.77 -3.99 3.99 -0.02 -1.26 -4.99 135.00 131.74 2gpq n PRO 10 Ca -0.18 0.63 -0.34 0.00 -2.02 0.00 0.00 63.50 61.58 2gpq n PRO 10 Cb 0.53 -2.21 -0.15 0.00 -0.02 0.00 0.00 33.50 31.66 2gpq n PRO 10 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2gpq s THR 11 N -0.33 2.68 0.74 3.45 -4.23 -1.26 -5.11 115.64 111.58 2gpq s THR 11 Ca 0.67 -1.11 -0.15 0.00 -1.18 0.00 0.00 61.69 59.91 2gpq s THR 11 Cb -0.69 -2.37 0.04 0.00 1.34 0.00 0.00 72.50 70.81 2gpq s THR 11 CO 0.53 0.20 1.21 -2.65 -0.54 0.00 0.00 174.62 173.36 2gpq n PRO 12 N 4.63 0.59 0.14 3.99 -0.02 -1.26 -4.93 135.00 138.13 2gpq n PRO 12 Ca -0.17 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2gpq n PRO 12 Cb 0.47 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 2gpq n PRO 12 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2gpq n ASN 13 N -2.53 -2.16 -4.66 2.55 3.02 -1.26 -5.14 115.26 105.08 2gpq n ASN 13 Ca 0.14 0.54 -0.33 0.00 -0.03 0.00 0.00 54.58 54.90 2gpq n ASN 13 Cb 0.49 2.16 0.13 0.00 -0.61 0.00 0.00 39.78 41.96 2gpq n ASN 13 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2gpq n PRO 14 N -3.14 0.05 -1.07 3.52 -0.04 -1.26 -5.00 135.00 128.06 2gpq n PRO 14 Ca 0.00 0.09 -0.29 0.00 -0.04 0.00 0.00 63.50 63.27 2gpq n PRO 14 Cb 0.00 -2.37 0.19 0.00 -0.04 0.00 0.00 33.50 31.28 2gpq n PRO 14 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2gpq s PRO 15 N -4.11 0.26 -0.89 0.54 0.04 -1.26 -4.82 135.00 124.77 2gpq s PRO 15 Ca 0.71 0.59 -0.26 0.00 0.04 0.00 0.00 61.00 62.08 2gpq s PRO 15 Cb -0.28 -1.71 -0.17 0.00 0.04 0.00 0.00 34.50 32.37 2gpq s PRO 15 CO 0.53 -2.86 2.31 0.25 0.04 0.00 0.00 177.00 177.27 2gpq n THR 16 N -4.28 0.00 0.00 1.26 -2.24 -1.26 -4.39 114.28 103.37 2gpq n THR 16 Ca 0.05 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2gpq n THR 16 Cb 0.57 -1.96 0.00 0.00 -2.10 0.00 0.00 70.33 66.84 2gpq n THR 16 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2gpq n THR 17 N 8.85 0.00 -2.36 4.28 -1.04 -1.26 -4.69 114.28 118.06 2gpq n THR 17 Ca 0.45 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 62.34 2gpq n THR 17 Cb 0.44 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.94 2gpq n THR 17 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2gpq n GLU 18 N 0.00 -2.18 -4.06 -2.82 -0.58 -1.26 -4.94 120.64 104.80 2gpq n GLU 18 Ca 0.00 0.59 -0.26 0.00 -0.42 0.00 0.00 57.16 57.06 2gpq n GLU 18 Cb 0.00 -5.15 -0.05 0.00 -0.57 0.00 0.00 31.44 25.67 2gpq n GLU 18 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2gpq s GLU 19 N -4.88 2.98 -1.16 3.49 2.02 -1.26 -5.01 118.70 114.88 2gpq s GLU 19 Ca 0.00 -0.82 -0.23 0.00 0.02 0.00 0.00 54.97 53.94 2gpq s GLU 19 Cb 0.00 -2.70 -0.12 0.00 0.10 0.00 0.00 34.13 31.41 2gpq s GLU 19 CO 0.00 0.49 1.97 0.39 0.02 0.00 0.00 175.26 178.13 2gpq n GLU 20 N -0.35 1.34 -1.15 1.61 4.71 -1.26 -4.69 120.64 120.85 2gpq n GLU 20 Ca -0.08 -2.33 -0.24 0.00 -0.01 0.00 0.00 57.16 54.50 2gpq n GLU 20 Cb 0.54 -3.76 0.15 0.00 -1.01 0.00 0.00 31.44 27.37 2gpq n GLU 20 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2gpq n LYS 21 N 8.23 2.21 0.13 3.49 5.02 -1.26 -4.47 118.16 131.51 2gpq n LYS 21 Ca 0.44 -2.82 0.00 0.00 -2.02 0.00 0.00 58.31 53.92 2gpq n LYS 21 Cb 0.47 -2.10 0.29 0.00 -0.02 0.00 0.00 35.03 33.66 2gpq n LYS 21 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2gpq h THR 22 N 0.93 1.28 -3.52 -0.18 2.02 -2.05 -3.46 112.91 107.93 2gpq h THR 22 Ca 0.59 -1.36 -0.21 0.00 0.77 0.00 0.00 66.41 66.20 2gpq h THR 22 Cb 2.46 1.63 -0.05 0.00 -1.74 0.00 0.00 68.15 70.46 2gpq h THR 22 CO 1.09 0.40 -0.18 -1.84 0.37 0.00 0.00 175.52 175.36 2gpq n GLU 23 N -4.08 0.60 -2.51 6.66 0.00 -1.26 -4.86 120.64 115.19 2gpq n GLU 23 Ca -0.01 -1.33 -0.19 0.00 0.00 0.00 0.00 57.16 55.62 2gpq n GLU 23 Cb 0.43 0.84 0.00 0.00 0.00 0.00 0.00 31.44 32.71 2gpq n GLU 23 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2gpq n SER 24 N -2.05 -5.48 0.00 -1.84 2.88 -1.26 -4.79 113.62 101.08 2gpq n SER 24 Ca -0.01 -0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 2gpq n SER 24 Cb 0.24 -4.48 0.00 0.00 -0.75 0.00 0.00 64.21 59.22 2gpq n SER 24 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2gpq n ASN 25 N -1.70 0.05 -3.07 -3.46 6.94 -1.26 -4.90 115.26 107.85 2gpq n ASN 25 Ca -0.19 0.00 -0.38 0.00 -0.02 0.00 0.00 54.58 53.99 2gpq n ASN 25 Cb 0.65 0.00 0.02 0.00 -2.36 0.00 0.00 39.78 38.10 2gpq n ASN 25 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 2gpq n GLN 26 N -2.44 3.65 -3.47 -3.83 7.27 -1.26 -4.97 117.38 112.32 2gpq n GLN 26 Ca 0.00 -4.07 -0.17 0.00 0.07 0.00 0.00 57.00 52.83 2gpq n GLN 26 Cb 0.05 -2.32 -0.04 0.00 2.41 0.00 0.00 30.24 30.34 2gpq n GLN 26 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 2gpq n GLU 27 N -0.37 1.06 -1.93 3.69 -0.00 -1.26 -5.01 120.64 116.81 2gpq n GLU 27 Ca 0.49 -2.07 -0.01 0.00 -0.00 0.00 0.00 57.16 55.57 2gpq n GLU 27 Cb 0.30 0.78 0.00 0.00 -0.00 0.00 0.00 31.44 32.53 2gpq n GLU 27 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2gpq n VAL 28 N -0.64 -5.31 -1.95 3.84 0.31 -1.26 -5.04 118.33 108.28 2gpq n VAL 28 Ca -0.08 0.50 -0.06 0.00 -0.01 0.00 0.00 64.34 64.68 2gpq n VAL 28 Cb 0.36 -5.06 -0.06 0.00 -0.91 0.00 0.00 33.84 28.17 2gpq n VAL 28 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gpq n ALA 29 N -0.04 3.21 0.03 3.52 0.00 -1.26 -4.85 120.51 121.12 2gpq n ALA 29 Ca 0.02 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.85 2gpq n ALA 29 Cb 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.20 2gpq n ALA 29 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2gpq n ASN 30 N 0.00 -0.17 -0.13 0.00 6.94 -1.26 -4.73 115.26 115.91 2gpq n ASN 30 Ca -0.25 0.10 0.06 0.00 -0.02 0.00 0.00 54.58 54.48 2gpq n ASN 30 Cb 0.65 0.26 0.38 0.00 -2.36 0.00 0.00 39.78 38.72 2gpq n ASN 30 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 2gpq h PRO 31 N 0.00 0.66 -1.51 -0.53 0.13 -2.04 -3.33 132.00 125.38 2gpq h PRO 31 Ca 0.00 -0.04 -0.45 0.00 -0.87 0.00 0.00 66.00 64.64 2gpq h PRO 31 Cb 0.00 -0.15 -0.31 0.00 0.13 0.00 0.00 31.00 30.67 2gpq h PRO 31 CO 0.00 0.44 -0.88 -0.85 -0.23 0.00 0.00 178.00 176.47 2gpq n GLU 32 N -4.47 0.61 -0.97 0.86 0.28 -1.26 -4.96 120.64 110.73 2gpq n GLU 32 Ca 0.09 -2.76 -0.15 0.00 -0.16 0.00 0.00 57.16 54.17 2gpq n GLU 32 Cb 0.19 -1.38 0.18 0.00 1.43 0.00 0.00 31.44 31.86 2gpq n GLU 32 CO 0.00 0.00 0.00 -2.39 -0.16 0.00 0.00 177.13 174.58 2gpq n HIS 33 N 1.88 2.40 -1.39 -1.84 1.44 -1.25 -4.68 115.22 111.78 2gpq n HIS 33 Ca 0.20 -1.44 0.00 0.00 -2.01 0.00 0.00 57.72 54.47 2gpq n HIS 33 Cb 0.55 -0.76 0.00 0.00 0.12 0.00 0.00 29.99 29.89 2gpq n HIS 33 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 2gpq n TYR 34 N -0.62 0.00 -4.06 -1.40 4.01 -1.26 -5.00 117.16 108.82 2gpq n TYR 34 Ca 0.45 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.83 2gpq n TYR 34 Cb 1.40 -2.07 -0.08 0.00 -0.31 0.00 0.00 39.34 38.28 2gpq n TYR 34 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2gpq s ILE 35 N -2.84 4.97 -0.46 -0.72 1.01 -1.26 -5.07 121.20 116.84 2gpq s ILE 35 Ca 0.00 0.01 -0.20 0.00 0.00 0.00 0.00 60.65 60.47 2gpq s ILE 35 Cb 0.00 -3.16 0.03 0.00 0.01 0.00 0.00 42.46 39.34 2gpq s ILE 35 CO 0.00 0.58 0.60 -0.75 0.00 0.00 0.00 174.94 175.37 2gpq s LYS 36 N -0.65 3.20 -0.14 2.79 2.20 -1.26 -4.45 119.74 121.42 2gpq s LYS 36 Ca 0.12 -0.59 -0.06 0.00 -0.36 0.00 0.00 55.97 55.07 2gpq s LYS 36 Cb -0.12 -4.00 -0.04 0.00 -1.51 0.00 0.00 37.83 32.16 2gpq s LYS 36 CO 0.02 -1.05 0.10 -1.01 -0.36 0.00 0.00 175.35 173.05 2gpq s HIS 37 N 2.66 3.42 -0.32 4.03 3.76 -1.26 -4.98 115.29 122.61 2gpq s HIS 37 Ca 0.19 0.35 -0.29 0.00 -0.15 0.00 0.00 55.06 55.15 2gpq s HIS 37 Cb -0.16 -1.97 0.01 0.00 1.11 0.00 0.00 32.58 31.57 2gpq s HIS 37 CO 0.16 0.51 1.14 -1.25 -0.85 0.00 0.00 174.74 174.45 2gpq s PRO 38 N -0.53 4.02 0.04 8.40 0.04 -1.26 -3.19 135.00 142.52 2gpq s PRO 38 Ca 0.11 1.11 -0.24 0.00 0.04 0.00 0.00 61.00 62.03 2gpq s PRO 38 Cb -0.12 -3.78 -0.06 0.00 0.04 0.00 0.00 34.50 30.59 2gpq s PRO 38 CO 0.02 -0.97 0.73 -0.51 0.04 0.00 0.00 177.00 176.31 2gpq s LEU 39 N 3.86 4.45 0.63 -3.56 1.43 -1.25 -4.93 118.68 119.30 2gpq s LEU 39 Ca 0.48 1.40 0.32 0.00 -1.03 0.00 0.00 54.13 55.31 2gpq s LEU 39 Cb -0.13 -3.17 1.79 0.00 0.03 0.00 0.00 46.19 44.70 2gpq s LEU 39 CO 0.18 0.04 2.08 0.06 0.23 0.00 0.00 176.35 178.94 2gpq h GLN 40 N 5.60 0.00 0.00 1.70 -0.00 -1.95 -3.43 115.11 117.03 2gpq h GLN 40 Ca -0.44 0.00 -0.41 0.00 -0.00 0.00 0.00 58.65 57.80 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 -1.71 -0.00 0.00 0.00 178.83 177.46 2gpq n ASN 41 N -3.36 0.26 -4.65 0.06 4.05 -1.26 -5.16 115.26 105.21 2gpq n ASN 41 Ca 0.00 -2.72 -0.35 0.00 0.45 0.00 0.00 54.58 51.96 2gpq n ASN 41 Cb 0.33 1.08 -0.10 0.00 1.23 0.00 0.00 39.78 42.32 2gpq n ASN 41 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 2gpq s ARG 42 N -3.15 3.22 -0.16 1.20 3.00 -1.26 -4.70 118.95 117.10 2gpq s ARG 42 Ca 0.24 -0.41 -0.05 0.00 0.00 0.00 0.00 55.73 55.51 2gpq s ARG 42 Cb 0.01 -2.87 -0.03 0.00 0.00 0.00 0.00 34.95 32.06 2gpq s ARG 42 CO 0.17 0.58 -0.01 -1.58 0.00 0.00 0.00 175.30 174.46 2gpq s TRP 43 N -0.53 3.09 0.15 -0.53 0.52 0.51 -1.36 118.94 120.79 2gpq s TRP 43 Ca 0.09 -0.19 0.10 0.00 0.02 0.00 0.00 56.10 56.13 2gpq s TRP 43 Cb -0.12 -1.99 -0.04 0.00 -1.15 0.00 0.00 33.47 30.17 2gpq s TRP 43 CO 0.02 0.02 -0.24 0.00 0.02 0.00 0.00 176.95 176.77 2gpq s ALA 44 N 0.35 2.31 -0.04 0.98 0.00 -0.96 0.95 121.76 125.35 2gpq s ALA 44 Ca -0.02 -1.50 0.05 0.00 0.00 0.00 0.00 51.96 50.49 2gpq s ALA 44 Cb -0.14 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 2gpq s ALA 44 CO 0.02 0.44 -0.20 -0.48 0.00 0.00 0.00 175.76 175.55 2gpq s LEU 45 N -2.32 1.98 0.04 0.00 2.34 0.78 -2.45 118.68 119.05 2gpq s LEU 45 Ca 0.15 -0.39 0.05 0.00 0.06 0.00 0.00 54.13 54.01 2gpq s LEU 45 Cb -0.09 -1.08 -0.02 0.00 -0.56 0.00 0.00 46.19 44.44 2gpq s LEU 45 CO 0.07 0.19 -0.16 0.26 -1.06 0.00 0.00 176.35 175.66 2gpq s TRP 46 N -0.12 1.39 -0.09 3.48 0.52 -0.65 -2.17 118.94 121.30 2gpq s TRP 46 Ca -0.01 -0.35 0.01 0.00 0.02 0.00 0.00 56.10 55.77 2gpq s TRP 46 Cb -0.11 -0.83 -0.02 0.00 -1.15 0.00 0.00 33.47 31.35 2gpq s TRP 46 CO 0.02 0.05 -0.11 -0.59 0.02 0.00 0.00 176.95 176.34 2gpq s PHE 47 N -0.80 2.83 -0.10 -1.98 -0.71 -0.32 -1.18 117.98 115.71 2gpq s PHE 47 Ca 0.03 -0.25 0.02 0.00 -1.04 0.00 0.00 56.93 55.70 2gpq s PHE 47 Cb -0.08 -1.74 0.01 0.00 -1.21 0.00 0.00 43.02 40.00 2gpq s PHE 47 CO 0.01 0.10 -0.17 0.12 -1.34 0.00 0.00 175.22 173.94 2gpq s PHE 48 N -0.35 2.02 -0.03 3.49 2.19 -0.90 -2.38 117.98 122.03 2gpq s PHE 48 Ca 0.04 -0.90 0.01 0.00 0.33 0.00 0.00 56.93 56.42 2gpq s PHE 48 Cb -0.12 -1.43 0.01 0.00 -1.31 0.00 0.00 43.02 40.17 2gpq s PHE 48 CO 0.02 -0.44 -0.05 0.21 1.83 0.00 0.00 175.22 176.80 2gpq s LYS 49 N 0.79 0.65 -0.10 10.12 2.20 -1.25 -0.55 119.74 131.61 2gpq s LYS 49 Ca -0.10 -0.14 -0.30 0.00 -0.36 0.00 0.00 55.97 55.07 2gpq s LYS 49 Cb -0.16 -0.66 -0.03 0.00 -1.51 0.00 0.00 37.83 35.47 2gpq s LYS 49 CO 0.01 0.01 1.41 1.21 -0.36 0.00 0.00 175.35 177.63 2gpq s ASN 50 N 0.48 6.84 0.07 1.43 3.04 -0.66 -4.79 114.94 121.35 2gpq s ASN 50 Ca -0.06 1.94 0.02 0.00 0.04 0.00 0.00 52.86 54.79 2gpq s ASN 50 Cb -0.10 -2.54 -0.04 0.00 -1.54 0.00 0.00 41.25 37.03 2gpq s ASN 50 CO -0.00 -0.81 0.13 -1.81 -3.04 0.00 0.00 177.10 171.57 2gpq s ASP 51 N 2.43 5.86 -0.19 -4.21 1.01 -1.26 -5.00 116.67 115.31 2gpq s ASP 51 Ca 0.62 0.10 -0.29 0.00 0.71 0.00 0.00 52.55 53.70 2gpq s ASP 51 Cb -0.27 -1.67 0.00 0.00 1.01 0.00 0.00 42.92 41.99 2gpq s ASP 51 CO 0.21 0.17 1.02 -0.54 0.21 0.00 0.00 175.17 176.25 2gpq s LYS 52 N -2.44 4.31 -1.16 8.23 3.01 -1.26 -3.56 119.74 126.87 2gpq s LYS 52 Ca 0.32 1.36 -0.07 0.00 -1.01 0.00 0.00 55.97 56.56 2gpq s LYS 52 Cb -0.12 -3.61 0.01 0.00 -1.01 0.00 0.00 37.83 33.10 2gpq s LYS 52 CO 0.24 -0.52 1.01 0.45 0.51 0.00 0.00 175.35 177.04 2gpq n SER 53 N 5.86 -5.45 -4.39 2.83 2.88 -1.26 -5.02 113.62 109.08 2gpq n SER 53 Ca 0.11 -0.47 -0.20 0.00 -1.33 0.00 0.00 58.87 56.98 2gpq n SER 53 Cb 0.47 -4.41 -0.10 0.00 -0.75 0.00 0.00 64.21 59.42 2gpq n SER 53 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2gpq s LYS 54 N -6.05 1.45 0.53 -1.46 -0.14 -1.23 -5.15 119.74 107.69 2gpq s LYS 54 Ca 0.46 -1.70 -0.05 0.00 -1.36 0.00 0.00 55.97 53.31 2gpq s LYS 54 Cb -0.20 -1.11 -0.02 0.00 -1.68 0.00 0.00 37.83 34.82 2gpq s LYS 54 CO 0.63 0.09 0.83 -0.08 -0.76 0.00 0.00 175.35 176.06 2gpq s THR 55 N -3.02 4.39 0.18 2.17 -1.32 -1.26 -4.91 115.64 111.86 2gpq s THR 55 Ca 0.27 0.12 0.10 0.00 -1.21 0.00 0.00 61.69 60.97 2gpq s THR 55 Cb 0.02 -3.69 -0.09 0.00 -1.51 0.00 0.00 72.50 67.22 2gpq s THR 55 CO 0.10 -0.69 1.46 -0.50 -2.21 0.00 0.00 174.62 172.78 2gpq h TRP 56 N 0.06 0.00 0.00 9.09 -0.00 -2.00 -2.61 115.95 120.49 2gpq h TRP 56 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.43 2gpq h TRP 56 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.39 2gpq h TRP 56 CO 0.54 0.77 0.00 -0.56 -0.00 0.00 0.00 178.44 179.19 2gpq h GLN 57 N 0.00 0.00 0.05 0.49 3.07 -1.96 -3.28 115.11 113.48 2gpq h GLN 57 Ca -0.01 0.00 -0.36 0.00 0.09 0.00 0.00 58.65 58.37 2gpq h GLN 57 Cb 1.39 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.91 2gpq h GLN 57 CO 0.10 0.00 -2.18 0.00 0.09 0.00 0.00 178.83 176.84 2gpq n ALA 58 N -2.07 1.25 0.33 0.06 0.00 -1.19 -4.19 120.51 114.70 2gpq n ALA 58 Ca 0.02 -0.90 0.21 0.00 0.00 0.00 0.00 53.44 52.77 2gpq n ALA 58 Cb 0.40 -0.44 1.12 0.00 0.00 0.00 0.00 19.45 20.53 2gpq n ALA 58 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2gpq h ASN 59 N 0.03 0.00 -3.32 0.00 7.08 -1.52 -3.40 115.58 114.45 2gpq h ASN 59 Ca -0.47 0.00 -0.57 0.00 -3.08 0.00 0.00 56.30 52.18 2gpq h ASN 59 Cb 2.02 0.00 -0.06 0.00 -2.08 0.00 0.00 38.32 38.20 2gpq h ASN 59 CO 0.02 0.00 0.92 -1.48 -2.08 0.00 0.00 177.43 174.81 2gpq s LEU 60 N -6.35 3.83 0.04 6.14 0.05 -1.24 -3.84 118.68 117.31 2gpq s LEU 60 Ca -0.05 0.98 0.07 0.00 0.05 0.00 0.00 54.13 55.19 2gpq s LEU 60 Cb 0.13 -3.54 -0.02 0.00 -2.05 0.00 0.00 46.19 40.70 2gpq s LEU 60 CO 0.41 -1.06 -0.20 -0.13 -0.55 0.00 0.00 176.35 174.82 2gpq s ARG 61 N 4.08 1.38 -0.14 1.48 1.81 -1.00 -5.05 118.95 121.52 2gpq s ARG 61 Ca 0.51 -0.90 -0.15 0.00 -1.72 0.00 0.00 55.73 53.47 2gpq s ARG 61 Cb -0.13 -1.47 -0.05 0.00 -0.45 0.00 0.00 34.95 32.86 2gpq s ARG 61 CO 0.23 0.38 0.36 -1.17 -0.68 0.00 0.00 175.30 174.41 2gpq s LEU 62 N -1.09 4.27 -0.15 2.53 1.98 -1.26 -1.18 118.68 123.78 2gpq s LEU 62 Ca 0.07 0.63 -0.12 0.00 -2.89 0.00 0.00 54.13 51.82 2gpq s LEU 62 Cb -0.09 -2.48 -0.07 0.00 0.66 0.00 0.00 46.19 44.20 2gpq s LEU 62 CO 0.01 0.08 -0.00 0.40 -1.89 0.00 0.00 176.35 174.95 2gpq h ILE 63 N 4.65 0.31 -1.80 6.68 2.04 -1.78 -3.47 117.51 124.14 2gpq h ILE 63 Ca -0.42 -1.34 0.33 0.00 1.00 0.00 0.00 64.86 64.43 2gpq h ILE 63 Cb 1.17 0.70 -0.09 0.00 -0.74 0.00 0.00 36.82 37.86 2gpq h ILE 63 CO 0.75 0.11 0.85 -0.55 0.00 0.00 0.00 178.15 179.30 2gpq s SER 64 N -5.98 -0.03 0.07 1.72 0.15 -1.07 -5.05 113.70 103.51 2gpq s SER 64 Ca -0.16 -0.19 -0.05 0.00 0.70 0.00 0.00 55.95 56.24 2gpq s SER 64 Cb 0.02 0.17 -0.02 0.00 -1.71 0.00 0.00 66.02 64.49 2gpq s SER 64 CO 0.29 -0.33 0.10 -0.54 1.20 0.00 0.00 173.24 173.96 2gpq s LYS 65 N -2.23 0.74 0.13 5.44 1.02 -1.26 -0.15 119.74 123.43 2gpq s LYS 65 Ca 0.21 -1.05 -0.22 0.00 0.02 0.00 0.00 55.97 54.93 2gpq s LYS 65 Cb 0.02 0.28 0.06 0.00 -0.52 0.00 0.00 37.83 37.68 2gpq s LYS 65 CO -0.02 -0.20 0.55 -0.06 -0.92 0.00 0.00 175.35 174.70 2gpq s PHE 66 N -3.82 -0.45 -0.24 3.18 0.08 0.27 -4.90 117.98 112.09 2gpq s PHE 66 Ca 0.05 0.27 0.11 0.00 0.12 0.00 0.00 56.93 57.49 2gpq s PHE 66 Cb 0.06 0.46 0.45 0.00 -0.57 0.00 0.00 43.02 43.42 2gpq s PHE 66 CO -0.10 -0.79 1.19 -3.47 -0.10 0.00 0.00 175.22 171.95 2gpq n ASP 67 N -0.22 3.22 -3.68 1.36 2.03 -1.26 0.19 116.55 118.18 2gpq n ASP 67 Ca -0.17 -3.52 -0.13 0.00 0.52 0.00 0.00 54.79 51.49 2gpq n ASP 67 Cb 0.64 -0.42 -0.09 0.00 -0.72 0.00 0.00 41.12 40.54 2gpq n ASP 67 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2gpq s THR 68 N -3.73 -0.00 0.20 5.18 -4.23 -1.26 -3.96 115.64 107.83 2gpq s THR 68 Ca 0.43 0.01 -0.11 0.00 -1.18 0.00 0.00 61.69 60.83 2gpq s THR 68 Cb 0.39 -0.77 0.13 0.00 1.34 0.00 0.00 72.50 73.59 2gpq s THR 68 CO -0.02 0.00 1.87 1.62 -0.54 0.00 0.00 174.62 177.55 2gpq h VAL 69 N 4.41 1.16 0.00 2.29 3.04 -1.92 0.15 116.25 125.39 2gpq h VAL 69 Ca -0.29 -0.31 -0.10 0.00 -1.01 0.00 0.00 66.70 64.99 2gpq h VAL 69 Cb 1.18 0.17 -0.01 0.00 -2.01 0.00 0.00 31.29 30.61 2gpq h VAL 69 CO 0.17 0.17 -0.46 -0.33 -1.01 0.00 0.00 177.57 176.11 2gpq h GLU 70 N 0.91 0.00 0.15 4.17 4.39 -1.82 -2.65 114.58 119.74 2gpq h GLU 70 Ca 0.25 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.95 2gpq h GLU 70 Cb -0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 2gpq h GLU 70 CO -0.06 0.46 -0.07 -0.44 -1.16 0.00 0.00 179.01 177.73 2gpq h ASP 71 N 0.00 -0.18 -0.33 1.42 5.19 -1.63 -1.58 116.42 119.32 2gpq h ASP 71 Ca -0.00 0.01 0.07 0.00 -0.62 0.00 0.00 57.03 56.48 2gpq h ASP 71 Cb 0.82 0.05 -0.08 0.00 0.18 0.00 0.00 39.33 40.30 2gpq h ASP 71 CO 0.06 0.01 -0.33 0.15 -3.12 0.00 0.00 179.24 176.01 2gpq h PHE 72 N -0.48 -0.91 0.00 4.55 3.04 -0.84 -1.02 116.94 121.28 2gpq h PHE 72 Ca -0.02 0.05 -0.07 0.00 3.98 0.00 0.00 57.97 61.91 2gpq h PHE 72 Cb 0.16 0.45 -0.01 0.00 2.56 0.00 0.00 35.95 39.11 2gpq h PHE 72 CO 0.05 -0.39 -0.35 0.11 -2.02 0.00 0.00 178.31 175.71 2gpq h TRP 73 N -0.29 0.00 -0.89 0.41 5.08 -1.63 -2.73 115.95 115.89 2gpq h TRP 73 Ca 0.15 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.12 2gpq h TRP 73 Cb 0.54 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.66 2gpq h TRP 73 CO -0.51 0.35 0.56 0.00 -1.28 0.00 0.00 178.44 177.56 2gpq h ALA 74 N 1.65 1.13 -0.27 0.11 0.00 -0.15 -1.94 119.26 119.80 2gpq h ALA 74 Ca -0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 2gpq h ALA 74 Cb 0.69 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2gpq h ALA 74 CO 0.05 0.57 -0.17 1.25 0.00 0.00 0.00 179.25 180.95 2gpq h LEU 75 N 1.22 0.62 -2.13 0.00 5.85 -1.15 -2.83 115.31 116.88 2gpq h LEU 75 Ca 0.32 -0.43 0.07 0.00 0.84 0.00 0.00 57.88 58.68 2gpq h LEU 75 Cb -0.08 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 2gpq h LEU 75 CO -0.06 0.91 0.21 0.22 -0.34 0.00 0.00 178.44 179.38 2gpq h TYR 76 N 0.33 0.00 0.00 1.25 3.20 -1.17 0.26 116.97 120.84 2gpq h TYR 76 Ca 0.06 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2gpq h TYR 76 Cb 0.70 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.97 2gpq h TYR 76 CO 0.07 0.00 0.00 -0.91 -1.64 0.00 0.00 178.16 175.68 2gpq h ASN 77 N 0.00 0.00 -0.22 -2.11 2.35 -1.10 -2.46 115.58 112.04 2gpq h ASN 77 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2gpq h ASN 77 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 2gpq h ASN 77 CO -0.00 0.00 0.00 1.41 -1.65 0.00 0.00 177.43 177.19 2gpq n HIS 78 N -2.85 0.29 -2.27 1.19 8.25 0.93 -3.80 115.22 116.95 2gpq n HIS 78 Ca 0.02 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 2gpq n HIS 78 Cb 0.33 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.43 2gpq n HIS 78 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2gpq n ILE 79 N 0.26 0.00 -2.82 1.59 -5.35 -0.95 -5.04 119.36 107.06 2gpq n ILE 79 Ca 0.13 -0.55 -0.43 0.00 -0.27 0.00 0.00 62.75 61.63 2gpq n ILE 79 Cb 0.27 0.75 -0.03 0.00 -1.74 0.00 0.00 39.64 38.89 2gpq n ILE 79 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2gpq s GLN 80 N 0.00 3.37 0.00 6.28 2.00 -1.09 -4.35 119.66 125.87 2gpq s GLN 80 Ca 0.19 -1.19 0.00 0.00 -2.00 0.00 0.00 55.36 52.36 2gpq s GLN 80 Cb 0.21 -4.65 0.00 0.00 0.80 0.00 0.00 33.01 29.37 2gpq s GLN 80 CO -0.09 -1.88 0.00 1.28 -0.50 0.00 0.00 175.29 174.10 2gpq n LEU 81 N 7.55 0.00 -0.23 3.68 4.77 -1.26 -4.88 117.00 126.62 2gpq n LEU 81 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2gpq n LEU 81 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2gpq n LEU 81 CO 0.60 0.00 0.21 -0.24 -1.33 0.00 0.00 177.39 176.63 2gpq n SER 82 N 0.00 0.26 0.26 -1.43 2.88 -1.26 -3.45 113.62 110.87 2gpq n SER 82 Ca 0.00 -1.12 0.14 0.00 -1.33 0.00 0.00 58.87 56.56 2gpq n SER 82 Cb 0.00 -0.13 0.64 0.00 -0.75 0.00 0.00 64.21 63.97 2gpq n SER 82 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2gpq h SER 83 N 0.21 0.00 0.00 -3.46 0.87 -1.90 -3.42 113.55 105.85 2gpq h SER 83 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2gpq h SER 83 Cb 0.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 2gpq h SER 83 CO 0.00 0.11 0.00 -0.46 -0.53 0.00 0.00 176.83 175.95 2gpq n ASN 84 N -3.31 0.00 0.00 6.23 2.04 -1.22 -5.04 115.26 113.95 2gpq n ASN 84 Ca -0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 2gpq n ASN 84 Cb 0.32 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.57 2gpq n ASN 84 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2gpq n LEU 85 N 0.00 0.00 -4.91 -4.53 -0.00 -1.26 -4.89 117.00 101.41 2gpq n LEU 85 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.73 2gpq n LEU 85 Cb 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 43.42 43.50 2gpq n LEU 85 CO 0.00 0.00 0.74 -0.04 -0.00 0.00 0.00 177.39 178.09 2gpq s MET 86 N 0.00 2.07 0.18 1.47 -1.94 -1.26 -4.72 119.30 115.11 2gpq s MET 86 Ca 0.00 0.04 -0.31 0.00 -1.71 0.00 0.00 55.69 53.71 2gpq s MET 86 Cb 0.00 -2.01 -0.16 0.00 2.01 0.00 0.00 34.83 34.67 2gpq s MET 86 CO 0.00 -1.48 0.92 -2.30 -0.01 0.00 0.00 175.02 172.16 2gpq n PRO 87 N -3.20 0.68 -0.95 2.03 -0.02 -1.26 -0.21 135.00 132.08 2gpq n PRO 87 Ca 0.08 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 2gpq n PRO 87 Cb 0.61 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 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 1.78 0.61 3.68 -1.23 0.00 -1.25 -4.83 105.19 103.95 2gpq n GLY 88 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.69 0.04 0.01 0.00 1.47 0.29 -2.58 116.67 113.21 2gpq s ASP 90 Ca 0.27 -0.61 0.07 0.00 1.18 0.00 0.00 52.55 53.46 2gpq s ASP 90 Cb -0.10 0.38 -0.03 0.00 -0.34 0.00 0.00 42.92 42.82 2gpq s ASP 90 CO 0.19 -0.77 -0.20 -0.47 0.68 0.00 0.00 175.17 174.60 2gpq s TYR 91 N -3.86 2.52 -0.01 2.11 6.14 0.31 -2.12 117.35 122.43 2gpq s TYR 91 Ca 0.06 -0.29 0.02 0.00 0.64 0.00 0.00 57.07 57.50 2gpq s TYR 91 Cb 0.04 -1.50 0.00 0.00 0.42 0.00 0.00 41.96 40.92 2gpq s TYR 91 CO -0.10 0.17 -0.06 -1.12 0.64 0.00 0.00 175.55 175.07 2gpq s SER 92 N -1.09 0.84 -0.19 4.32 0.01 -0.33 0.16 113.70 117.42 2gpq s SER 92 Ca 0.13 -0.13 -0.02 0.00 1.31 0.00 0.00 55.95 57.24 2gpq s SER 92 Cb -0.10 -0.17 0.06 0.00 0.21 0.00 0.00 66.02 66.02 2gpq s SER 92 CO 0.03 0.06 0.01 -0.22 0.41 0.00 0.00 173.24 173.52 2gpq s LEU 93 N 0.06 1.40 0.36 2.44 0.20 0.23 -1.64 118.68 121.73 2gpq s LEU 93 Ca -0.00 -0.82 -0.03 0.00 0.69 0.00 0.00 54.13 53.97 2gpq s LEU 93 Cb -0.05 -0.70 0.01 0.00 -0.43 0.00 0.00 46.19 45.01 2gpq s LEU 93 CO -0.00 -0.28 0.51 0.72 -0.29 0.00 0.00 176.35 177.01 2gpq s PHE 94 N 1.77 1.03 0.18 5.38 -0.12 -1.03 0.16 117.98 125.35 2gpq s PHE 94 Ca -0.01 -1.29 -0.33 0.00 -0.05 0.00 0.00 56.93 55.25 2gpq s PHE 94 Cb -0.17 -0.01 -0.13 0.00 -0.63 0.00 0.00 43.02 42.08 2gpq s PHE 94 CO -0.07 -1.20 1.66 1.63 -0.05 0.00 0.00 175.22 177.19 2gpq n LYS 95 N -0.58 2.45 0.09 1.99 5.02 -1.03 -2.27 118.16 123.83 2gpq n LYS 95 Ca 0.00 0.88 0.19 0.00 -2.02 0.00 0.00 58.31 57.37 2gpq n LYS 95 Cb 0.61 -2.69 0.62 0.00 -0.02 0.00 0.00 35.03 33.55 2gpq n LYS 95 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 2gpq h ASP 96 N 6.44 0.00 -0.09 4.39 2.03 -1.54 0.75 116.42 128.40 2gpq h ASP 96 Ca -0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 2gpq h ASP 96 Cb 1.23 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.73 2gpq h ASP 96 CO 0.92 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 179.74 2gpq n GLY 97 N -1.49 -0.51 3.61 7.15 0.00 -1.26 -4.92 105.19 107.76 2gpq n GLY 97 Ca 0.09 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 2gpq n GLY 97 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2gpq n ILE 98 N -0.26 2.13 -4.16 -0.61 0.13 0.26 -4.90 119.36 111.95 2gpq n ILE 98 Ca 0.08 -0.30 -0.15 0.00 -1.10 0.00 0.00 62.75 61.27 2gpq n ILE 98 Cb 0.11 -1.05 -0.13 0.00 -0.84 0.00 0.00 39.64 37.73 2gpq n ILE 98 CO 0.00 0.00 0.00 -0.70 2.80 0.00 0.00 176.55 178.65 2gpq s GLU 99 N -3.58 0.52 -1.05 9.51 2.12 -1.26 -4.99 118.70 119.97 2gpq s GLU 99 Ca 0.71 -0.43 -0.08 0.00 0.36 0.00 0.00 54.97 55.52 2gpq s GLU 99 Cb -0.31 -0.44 -0.07 0.00 0.26 0.00 0.00 34.13 33.58 2gpq s GLU 99 CO 0.53 0.11 2.25 -0.35 -0.54 0.00 0.00 175.26 177.26 2gpq n PRO 100 N 2.37 2.35 -3.31 4.30 -0.04 -1.26 -4.47 135.00 134.93 2gpq n PRO 100 Ca -0.17 -1.68 -0.13 0.00 -0.04 0.00 0.00 63.50 61.49 2gpq n PRO 100 Cb 0.57 -2.59 0.03 0.00 -0.04 0.00 0.00 33.50 31.46 2gpq n PRO 100 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2gpq n MET 101 N 4.45 -1.56 0.02 0.54 2.81 -1.26 -4.95 117.12 117.17 2gpq n MET 101 Ca 0.52 1.06 0.00 0.00 -1.81 0.00 0.00 57.70 57.46 2gpq n MET 101 Cb 0.19 -5.05 0.00 0.00 -0.71 0.00 0.00 33.22 27.64 2gpq n MET 101 CO 0.00 0.00 0.00 1.87 1.51 0.00 0.00 175.97 179.35 2gpq n TRP 102 N -2.69 -0.50 -0.03 2.03 -0.00 -1.26 -4.94 117.44 110.05 2gpq n TRP 102 Ca -0.07 0.08 -0.03 0.00 -0.00 0.00 0.00 57.50 57.47 2gpq n TRP 102 Cb 0.57 0.54 -0.07 0.00 -0.00 0.00 0.00 31.31 32.36 2gpq n TRP 102 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 2gpq n GLU 103 N -2.64 2.28 -0.89 5.87 4.07 -1.26 -4.55 120.64 123.52 2gpq n GLU 103 Ca 0.00 -0.02 -0.12 0.00 -0.06 0.00 0.00 57.16 56.96 2gpq n GLU 103 Cb 0.00 -1.21 0.19 0.00 -0.06 0.00 0.00 31.44 30.35 2gpq n GLU 103 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2gpq n ASP 104 N -2.23 3.88 0.25 4.31 2.03 -1.26 -4.49 116.55 119.03 2gpq n ASP 104 Ca -0.12 -3.11 0.18 0.00 0.52 0.00 0.00 54.79 52.26 2gpq n ASP 104 Cb 0.68 -0.73 0.87 0.00 -0.72 0.00 0.00 41.12 41.23 2gpq n ASP 104 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2gpq h GLU 105 N 1.38 0.00 -0.07 -0.67 -0.00 -1.87 -0.53 114.58 112.82 2gpq h GLU 105 Ca 0.37 0.00 0.02 0.00 -0.00 0.00 0.00 59.36 59.75 2gpq h GLU 105 Cb 2.25 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 31.00 2gpq h GLU 105 CO 0.74 0.00 0.19 0.87 -0.00 0.00 0.00 179.01 180.81 2gpq h LYS 106 N 0.00 0.00 0.00 1.06 1.57 -1.97 0.20 116.57 117.43 2gpq h LYS 106 Ca 0.07 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.66 2gpq h LYS 106 Cb 0.55 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 2gpq h LYS 106 CO -0.00 0.00 -0.90 -0.91 -0.57 0.00 0.00 179.45 177.07 2gpq h ASN 107 N 0.00 0.00 1.63 0.86 -0.26 -1.39 -3.20 115.58 113.22 2gpq h ASN 107 Ca 0.03 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.73 2gpq h ASN 107 Cb 0.42 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.68 2gpq h ASN 107 CO -0.00 0.90 -0.38 0.11 -1.06 0.00 0.00 177.43 177.00 2gpq h LYS 108 N 0.00 0.00 0.00 0.81 1.79 -0.79 -3.19 116.57 115.19 2gpq h LYS 108 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2gpq h LYS 108 Cb 1.59 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.24 2gpq h LYS 108 CO 0.12 0.16 0.00 0.07 -1.08 0.00 0.00 179.45 178.72 2gpq h ARG 109 N 0.00 0.00 0.00 3.15 0.11 -1.38 0.34 114.38 116.60 2gpq h ARG 109 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 2gpq h ARG 109 Cb 1.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.23 2gpq h ARG 109 CO 0.02 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.50 2gpq n GLY 110 N -0.04 -0.88 3.02 0.08 0.00 -1.21 -4.01 105.19 102.16 2gpq n GLY 110 Ca 0.02 -1.17 -0.17 0.00 0.00 0.00 0.00 46.02 44.70 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 3.01 2.73 3.57 -0.02 0.00 -0.99 -3.89 105.19 109.59 2gpq n GLY 111 Ca 0.00 -1.79 -0.10 0.00 0.00 0.00 0.00 46.02 44.13 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 -3.09 0.63 0.01 1.61 1.70 0.24 0.15 118.95 120.19 2gpq s ARG 112 Ca 0.34 0.10 0.02 0.00 -0.47 0.00 0.00 55.73 55.72 2gpq s ARG 112 Cb 0.01 0.29 -0.04 0.00 -0.57 0.00 0.00 34.95 34.65 2gpq s ARG 112 CO 0.24 -0.21 0.01 -1.58 -1.08 0.00 0.00 175.30 172.69 2gpq s TRP 113 N -1.32 3.09 -0.13 5.89 0.51 -0.71 -0.33 118.94 125.94 2gpq s TRP 113 Ca -0.01 0.08 0.00 0.00 -2.12 0.00 0.00 56.10 54.05 2gpq s TRP 113 Cb -0.00 -1.66 -0.01 0.00 -0.81 0.00 0.00 33.47 30.98 2gpq s TRP 113 CO 0.01 0.47 -0.14 -1.17 -0.51 0.00 0.00 176.95 175.61 2gpq s LEU 114 N -1.67 2.63 0.12 2.99 0.20 -0.52 -2.22 118.68 120.22 2gpq s LEU 114 Ca 0.21 -0.36 0.11 0.00 0.69 0.00 0.00 54.13 54.77 2gpq s LEU 114 Cb -0.12 -1.59 -0.04 0.00 -0.43 0.00 0.00 46.19 44.02 2gpq s LEU 114 CO 0.12 0.16 -0.25 -0.51 -0.29 0.00 0.00 176.35 175.57 2gpq s ILE 115 N 0.39 2.37 -0.13 6.68 2.07 0.66 -2.99 121.20 130.24 2gpq s ILE 115 Ca -0.11 -1.70 0.02 0.00 -1.41 0.00 0.00 60.65 57.46 2gpq s ILE 115 Cb -0.16 -2.05 0.01 0.00 0.13 0.00 0.00 42.46 40.39 2gpq s ILE 115 CO 0.06 0.10 -0.21 -0.89 -1.91 0.00 0.00 174.94 172.09 2gpq s THR 116 N -1.07 1.95 -0.15 4.00 2.01 -1.26 -1.52 115.64 119.60 2gpq s THR 116 Ca 0.15 -0.91 -0.02 0.00 0.31 0.00 0.00 61.69 61.22 2gpq s THR 116 Cb -0.10 -1.73 -0.02 0.00 0.01 0.00 0.00 72.50 70.66 2gpq s THR 116 CO 0.07 0.53 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.67 2gpq s LEU 117 N 0.85 2.88 0.45 4.42 1.43 0.33 -4.90 118.68 124.14 2gpq s LEU 117 Ca -0.07 -0.29 -0.22 0.00 -1.03 0.00 0.00 54.13 52.52 2gpq s LEU 117 Cb -0.15 -1.68 -0.09 0.00 0.03 0.00 0.00 46.19 44.30 2gpq s LEU 117 CO -0.02 0.13 1.05 0.20 0.23 0.00 0.00 176.35 177.95 2gpq s ASN 118 N 0.55 6.48 0.18 2.29 0.01 -1.26 -1.81 114.94 121.38 2gpq s ASN 118 Ca -0.06 2.01 -0.13 0.00 -0.71 0.00 0.00 52.86 53.96 2gpq s ASN 118 Cb -0.15 -2.57 0.11 0.00 0.41 0.00 0.00 41.25 39.04 2gpq s ASN 118 CO 0.03 -0.68 1.83 0.50 -1.51 0.00 0.00 177.10 177.27 2gpq h LYS 119 N 1.97 0.68 -0.15 -0.60 1.63 -1.95 -1.29 116.57 116.86 2gpq h LYS 119 Ca -0.49 -0.04 0.04 0.00 -0.85 0.00 0.00 60.65 59.31 2gpq h LYS 119 Cb 1.22 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.69 2gpq h LYS 119 CO 0.60 0.45 0.11 0.37 -3.45 0.00 0.00 179.45 177.53 2gpq h GLN 120 N 0.70 0.00 -0.57 1.90 5.75 -1.93 0.18 115.11 121.15 2gpq h GLN 120 Ca 0.22 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.72 2gpq h GLN 120 Cb -0.01 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.54 2gpq h GLN 120 CO -0.08 0.00 0.00 0.94 -2.65 0.00 0.00 178.83 177.04 2gpq n GLN 121 N -4.46 3.94 0.25 1.69 7.27 -0.61 -4.50 117.38 120.97 2gpq n GLN 121 Ca 0.01 -2.93 0.17 0.00 0.07 0.00 0.00 57.00 54.32 2gpq n GLN 121 Cb 0.23 -1.97 0.89 0.00 2.41 0.00 0.00 30.24 31.81 2gpq n GLN 121 CO 0.00 0.00 0.00 0.07 0.07 0.00 0.00 177.06 177.20 2gpq h ARG 122 N 3.69 0.00 0.07 3.69 0.11 0.12 1.29 114.38 123.35 2gpq h ARG 122 Ca 0.00 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.76 2gpq h ARG 122 Cb 1.57 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.62 2gpq h ARG 122 CO 0.29 0.00 -1.79 -0.09 0.10 0.00 0.00 179.97 178.48 2gpq h ARG 123 N 0.00 0.16 0.04 0.08 9.65 -1.80 -0.96 114.38 121.55 2gpq h ARG 123 Ca 0.04 -0.27 -0.35 0.00 -1.10 0.00 0.00 59.98 58.31 2gpq h ARG 123 Cb 0.28 0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 28.92 2gpq h ARG 123 CO -0.00 0.92 -1.95 0.43 2.80 0.00 0.00 179.97 182.16 2gpq n SER 124 N -3.31 1.98 -0.08 -3.80 7.64 -0.72 -4.10 113.62 111.24 2gpq n SER 124 Ca -0.23 0.25 -0.11 0.00 1.01 0.00 0.00 58.87 59.79 2gpq n SER 124 Cb 1.05 -0.81 -0.06 0.00 -1.01 0.00 0.00 64.21 63.37 2gpq n SER 124 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2gpq h ASP 125 N -0.50 0.00 0.72 6.43 5.19 0.14 -3.20 116.42 125.20 2gpq h ASP 125 Ca -0.48 -0.29 -0.04 0.00 -0.62 0.00 0.00 57.03 55.60 2gpq h ASP 125 Cb 1.69 0.00 0.01 0.00 0.18 0.00 0.00 39.33 41.21 2gpq h ASP 125 CO -0.14 0.99 -0.35 0.25 -3.12 0.00 0.00 179.24 176.87 2gpq h LEU 126 N -1.00 -0.82 -0.65 1.55 5.85 -1.47 0.65 115.31 119.42 2gpq h LEU 126 Ca -0.12 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.69 2gpq h LEU 126 Cb 0.75 0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.93 2gpq h LEU 126 CO -0.07 -0.51 0.31 0.44 -0.34 0.00 0.00 178.44 178.27 2gpq h ASP 127 N -1.09 0.40 0.40 1.25 3.32 -1.32 0.08 116.42 119.45 2gpq h ASP 127 Ca -0.10 0.06 -0.14 0.00 0.02 0.00 0.00 57.03 56.87 2gpq h ASP 127 Cb 0.77 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.30 2gpq h ASP 127 CO 0.16 0.24 -0.59 -0.09 -1.72 0.00 0.00 179.24 177.24 2gpq h ARG 128 N 0.55 0.20 -0.00 3.56 2.43 -1.54 -2.82 114.38 116.76 2gpq h ARG 128 Ca 0.32 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2gpq h ARG 128 Cb 0.32 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2gpq h ARG 128 CO -0.25 0.73 0.00 0.35 -1.51 0.00 0.00 179.97 179.29 2gpq h PHE 129 N 0.15 0.01 0.16 2.20 3.04 0.15 -2.32 116.94 120.32 2gpq h PHE 129 Ca -0.00 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.94 2gpq h PHE 129 Cb 1.08 -0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.59 2gpq h PHE 129 CO 0.02 0.27 -0.12 2.35 -2.02 0.00 0.00 178.31 178.81 2gpq h TRP 130 N -0.26 -0.31 -0.61 0.41 2.91 -1.04 0.95 115.95 118.00 2gpq h TRP 130 Ca 0.00 -0.00 0.12 0.00 1.13 0.00 0.00 58.89 60.14 2gpq h TRP 130 Cb 0.27 0.11 -0.09 0.00 -0.51 0.00 0.00 29.16 28.94 2gpq h TRP 130 CO 0.02 -0.19 0.11 1.25 -1.03 0.00 0.00 178.44 178.60 2gpq h LEU 131 N -0.28 -0.04 -0.17 0.65 7.12 -1.53 0.27 115.31 121.33 2gpq h LEU 131 Ca -0.01 0.12 -0.12 0.00 0.13 0.00 0.00 57.88 58.00 2gpq h LEU 131 Cb 0.25 0.18 0.00 0.00 -0.53 0.00 0.00 40.66 40.56 2gpq h LEU 131 CO -0.00 -0.02 -0.38 -0.08 -0.13 0.00 0.00 178.44 177.83 2gpq h GLU 132 N 0.24 0.55 -0.34 1.25 4.57 -1.09 -2.75 114.58 117.02 2gpq h GLU 132 Ca 0.33 -0.37 0.02 0.00 -1.18 0.00 0.00 59.36 58.15 2gpq h GLU 132 Cb 0.50 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.12 2gpq h GLU 132 CO -0.43 0.98 0.18 0.00 -1.18 0.00 0.00 179.01 178.57 2gpq h THR 133 N 0.20 1.01 -0.37 0.32 1.03 0.18 0.57 112.91 115.86 2gpq h THR 133 Ca 0.00 -0.13 -0.00 0.00 -0.01 0.00 0.00 66.41 66.27 2gpq h THR 133 Cb 0.98 0.60 -0.02 0.00 -1.07 0.00 0.00 68.15 68.65 2gpq h THR 133 CO 0.08 0.07 0.22 -0.07 -0.01 0.00 0.00 175.52 175.82 2gpq h LEU 134 N 0.38 0.44 -0.58 0.00 3.38 -0.56 -1.63 115.31 116.73 2gpq h LEU 134 Ca 0.14 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2gpq h LEU 134 Cb 0.02 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2gpq h LEU 134 CO -0.08 0.36 -0.18 -0.07 0.09 0.00 0.00 178.44 178.56 2gpq h LEU 135 N 0.48 0.00 0.03 1.67 4.07 -1.21 -2.36 115.31 117.99 2gpq h LEU 135 Ca 0.13 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.99 2gpq h LEU 135 Cb -0.00 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.74 2gpq h LEU 135 CO -0.03 0.18 -0.41 0.00 -1.08 0.00 0.00 178.44 177.11 2gpq h LEU 137 N -0.47 0.00 -0.00 0.00 -0.00 -1.39 -3.27 115.31 110.19 2gpq h LEU 137 Ca -0.06 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.72 2gpq h LEU 137 Cb 1.21 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.88 2gpq h LEU 137 CO 0.08 0.70 -0.40 0.40 -0.00 0.00 0.00 178.44 179.22 2gpq h ILE 138 N 0.00 1.50 0.00 0.15 2.04 -1.52 -3.42 117.51 116.25 2gpq h ILE 138 Ca -0.01 -2.00 0.00 0.00 1.00 0.00 0.00 64.86 63.85 2gpq h ILE 138 Cb 1.33 2.70 0.00 0.00 -0.74 0.00 0.00 36.82 40.10 2gpq h ILE 138 CO 0.09 0.56 0.00 0.61 0.00 0.00 0.00 178.15 179.41 2gpq n GLY 139 N 1.06 0.20 0.00 5.37 0.00 -0.47 -4.94 105.19 106.40 2gpq n GLY 139 Ca -0.10 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2gpq n GLY 139 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2gpq n GLU 140 N 0.00 0.00 0.06 1.61 -0.58 0.37 -4.97 120.64 117.12 2gpq n GLU 140 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2gpq n GLU 140 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2gpq n GLU 140 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2gpq n SER 141 N 0.00 -1.09 -2.01 1.62 2.88 -1.12 -4.49 113.62 109.40 2gpq n SER 141 Ca 0.00 0.32 -0.22 0.00 -1.33 0.00 0.00 58.87 57.64 2gpq n SER 141 Cb 0.00 1.27 0.09 0.00 -0.75 0.00 0.00 64.21 64.82 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 -2.59 2.29 -4.45 0.66 3.01 -1.26 -4.94 117.46 110.18 2gpq n PHE 142 Ca 0.00 -2.03 0.00 0.00 1.01 0.00 0.00 57.45 56.43 2gpq n PHE 142 Cb 0.00 -1.00 0.00 0.00 -0.01 0.00 0.00 39.48 38.47 2gpq n PHE 142 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2gpq n ASP 143 N -0.45 -1.90 0.21 4.37 8.00 -1.26 -3.61 116.55 121.91 2gpq n ASP 143 Ca 0.45 0.00 0.15 0.00 0.71 0.00 0.00 54.79 56.09 2gpq n ASP 143 Cb 0.95 0.00 0.76 0.00 -0.02 0.00 0.00 41.12 42.81 2gpq n ASP 143 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2gpq h ASP 144 N 0.00 0.00 -1.15 -2.24 5.19 -1.95 -3.24 116.42 113.03 2gpq h ASP 144 Ca 0.00 0.00 0.38 0.00 -0.62 0.00 0.00 57.03 56.79 2gpq h ASP 144 Cb 0.00 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 39.41 2gpq h ASP 144 CO 0.00 0.00 0.76 0.00 -3.12 0.00 0.00 179.24 176.88 2gpq n TYR 145 N -2.53 0.45 -1.45 4.55 9.36 -1.24 -4.06 117.16 122.25 2gpq n TYR 145 Ca -0.01 0.45 -0.12 0.00 3.32 0.00 0.00 57.90 61.54 2gpq n TYR 145 Cb 0.08 -0.86 -0.10 0.00 -0.63 0.00 0.00 39.34 37.83 2gpq n TYR 145 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 2gpq n SER 146 N -4.11 0.36 0.00 2.98 3.41 -1.22 -3.56 113.62 111.47 2gpq n SER 146 Ca 0.32 -1.69 0.00 0.00 -0.26 0.00 0.00 58.87 57.24 2gpq n SER 146 Cb 1.28 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 2gpq n SER 146 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2gpq n ASP 147 N 14.32 0.00 0.06 4.04 5.68 -1.26 -4.86 116.55 134.53 2gpq n ASP 147 Ca 0.39 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.79 2gpq n ASP 147 Cb 0.41 0.03 0.08 0.00 -1.14 0.00 0.00 41.12 40.50 2gpq n ASP 147 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2gpq n ASP 148 N -1.58 0.68 -4.56 -1.12 2.03 -1.23 -4.78 116.55 106.00 2gpq n ASP 148 Ca 0.00 0.05 -0.26 0.00 0.52 0.00 0.00 54.79 55.11 2gpq n ASP 148 Cb 0.00 0.48 -0.05 0.00 -0.72 0.00 0.00 41.12 40.83 2gpq n ASP 148 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2gpq s VAL 149 N -3.23 3.23 0.04 5.18 1.01 -1.26 0.60 120.40 125.97 2gpq s VAL 149 Ca 0.03 -0.11 -0.07 0.00 0.00 0.00 0.00 61.98 61.83 2gpq s VAL 149 Cb 0.13 -3.54 -0.30 0.00 0.00 0.00 0.00 36.38 32.66 2gpq s VAL 149 CO 0.77 -0.51 1.03 0.00 0.00 0.00 0.00 175.10 176.38 2gpq s GLY 151 N -4.72 -0.37 -0.08 0.00 0.00 -1.08 -2.45 107.32 98.61 2gpq s GLY 151 Ca -0.07 0.99 0.04 0.00 0.00 0.00 0.00 44.72 45.68 2gpq s GLY 151 CO 0.89 0.73 -0.20 0.00 0.00 0.00 0.00 173.10 174.52 2gpq s ALA 152 N -0.85 2.38 0.03 3.20 0.00 0.41 0.10 121.76 127.03 2gpq s ALA 152 Ca -0.09 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 50.96 2gpq s ALA 152 Cb -0.03 -0.88 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 2gpq s ALA 152 CO 0.05 0.40 -0.24 0.54 0.00 0.00 0.00 175.76 176.51 2gpq s VAL 153 N -0.13 1.92 -0.19 0.00 0.11 0.51 0.75 120.40 123.36 2gpq s VAL 153 Ca -0.03 -1.22 -0.02 0.00 -2.93 0.00 0.00 61.98 57.78 2gpq s VAL 153 Cb -0.14 -1.63 0.06 0.00 -1.53 0.00 0.00 36.38 33.14 2gpq s VAL 153 CO 0.04 0.37 0.02 -0.69 -3.33 0.00 0.00 175.10 171.50 2gpq s VAL 154 N -0.73 0.71 -0.23 2.04 1.01 0.42 0.12 120.40 123.75 2gpq s VAL 154 Ca 0.10 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.39 2gpq s VAL 154 Cb -0.09 -1.15 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 2gpq s VAL 154 CO 0.01 -0.16 -0.00 0.54 0.00 0.00 0.00 175.10 175.49 2gpq s ASN 155 N 1.78 4.59 -0.15 3.32 2.20 0.30 0.11 114.94 127.08 2gpq s ASN 155 Ca -0.01 -0.33 0.00 0.00 -0.94 0.00 0.00 52.86 51.57 2gpq s ASN 155 Cb -0.17 -1.80 -0.00 0.00 -2.00 0.00 0.00 41.25 37.27 2gpq s ASN 155 CO -0.08 -0.03 -0.15 -0.69 -2.94 0.00 0.00 177.10 173.22 2gpq s VAL 156 N 1.53 2.72 -0.65 3.54 1.01 -1.07 0.47 120.40 127.96 2gpq s VAL 156 Ca 0.06 -0.75 -0.14 0.00 0.00 0.00 0.00 61.98 61.15 2gpq s VAL 156 Cb -0.15 -2.15 0.16 0.00 0.00 0.00 0.00 36.38 34.25 2gpq s VAL 156 CO -0.01 0.51 0.58 -0.60 0.00 0.00 0.00 175.10 175.59 2gpq s ARG 157 N 0.79 3.16 0.90 2.72 3.52 0.30 -3.89 118.95 126.45 2gpq s ARG 157 Ca -0.05 -2.04 0.00 0.00 -0.13 0.00 0.00 55.73 53.51 2gpq s ARG 157 Cb -0.15 -4.29 0.00 0.00 -1.56 0.00 0.00 34.95 28.95 2gpq s ARG 157 CO 0.00 -1.30 0.00 0.00 -0.81 0.00 0.00 175.30 173.20 2gpq n ALA 158 N 4.66 0.00 0.10 6.12 0.00 -1.26 0.31 120.51 130.44 2gpq n ALA 158 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.48 2gpq n ALA 158 Cb 0.43 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.78 2gpq n ALA 158 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2gpq n LYS 159 N 0.00 0.88 -2.90 0.00 0.00 -1.26 -4.76 118.16 110.11 2gpq n LYS 159 Ca 0.00 -0.09 -0.43 0.00 -0.00 0.00 0.00 58.31 57.79 2gpq n LYS 159 Cb 0.00 -1.25 -0.05 0.00 -0.00 0.00 0.00 35.03 33.73 2gpq n LYS 159 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2gpq s GLY 160 N -3.19 1.59 -0.20 2.58 0.00 0.15 -3.68 107.32 104.56 2gpq s GLY 160 Ca -0.03 -0.72 -0.19 0.00 0.00 0.00 0.00 44.72 43.78 2gpq s GLY 160 CO 0.51 1.87 0.56 0.99 0.00 0.00 0.00 173.10 177.03 2gpq s ASP 161 N 2.01 6.59 -0.01 1.64 1.11 -0.75 0.11 116.67 127.37 2gpq s ASP 161 Ca 0.34 0.72 0.06 0.00 0.18 0.00 0.00 52.55 53.84 2gpq s ASP 161 Cb -0.12 -2.31 -0.02 0.00 1.07 0.00 0.00 42.92 41.54 2gpq s ASP 161 CO 0.21 -0.22 -0.20 -0.54 1.18 0.00 0.00 175.17 175.59 2gpq s LYS 162 N 1.79 1.63 -0.01 8.23 1.02 0.18 0.12 119.74 132.69 2gpq s LYS 162 Ca 0.25 -0.75 -0.01 0.00 0.02 0.00 0.00 55.97 55.49 2gpq s LYS 162 Cb -0.16 -1.59 0.01 0.00 -0.52 0.00 0.00 37.83 35.58 2gpq s LYS 162 CO 0.10 0.43 0.03 0.42 -0.92 0.00 0.00 175.35 175.41 2gpq s ILE 163 N -0.51 -0.02 0.04 2.17 1.01 -0.57 0.11 121.20 123.43 2gpq s ILE 163 Ca 0.08 0.07 0.02 0.00 0.00 0.00 0.00 60.65 60.82 2gpq s ILE 163 Cb -0.08 -0.06 -0.02 0.00 0.01 0.00 0.00 42.46 42.31 2gpq s ILE 163 CO -0.01 0.03 -0.08 0.00 0.00 0.00 0.00 174.94 174.88 2gpq s ALA 164 N 0.36 0.61 -0.02 9.38 0.00 0.34 -0.25 121.76 132.17 2gpq s ALA 164 Ca -0.03 -0.69 0.04 0.00 0.00 0.00 0.00 51.96 51.28 2gpq s ALA 164 Cb -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 2gpq s ALA 164 CO -0.01 0.02 -0.15 0.96 0.00 0.00 0.00 175.76 176.58 2gpq s ILE 165 N -1.14 1.19 -0.09 0.00 -4.36 -0.94 0.19 121.20 116.05 2gpq s ILE 165 Ca -0.07 -0.63 0.01 0.00 -0.26 0.00 0.00 60.65 59.70 2gpq s ILE 165 Cb -0.09 -1.00 -0.02 0.00 1.25 0.00 0.00 42.46 42.60 2gpq s ILE 165 CO 0.00 0.34 -0.11 -1.66 0.24 0.00 0.00 174.94 173.76 2gpq s TRP 166 N -0.22 2.84 0.26 1.37 1.48 0.11 -1.74 118.94 123.04 2gpq s TRP 166 Ca 0.03 -0.23 -0.03 0.00 -1.06 0.00 0.00 56.10 54.80 2gpq s TRP 166 Cb -0.07 -1.74 -0.05 0.00 -1.16 0.00 0.00 33.47 30.45 2gpq s TRP 166 CO 0.00 0.11 0.50 0.95 -4.06 0.00 0.00 176.95 174.45 2gpq s THR 167 N -0.38 5.08 0.36 0.66 -4.23 0.39 -1.71 115.64 115.82 2gpq s THR 167 Ca 0.05 -0.09 0.18 0.00 -1.18 0.00 0.00 61.69 60.64 2gpq s THR 167 Cb -0.12 -3.74 0.16 0.00 1.34 0.00 0.00 72.50 70.14 2gpq s THR 167 CO 0.02 -0.28 1.89 0.00 -0.54 0.00 0.00 174.62 175.71 2gpq h THR 168 N 1.39 1.00 -2.46 3.99 1.03 -0.14 -2.64 112.91 115.08 2gpq h THR 168 Ca -0.48 -1.05 -0.41 0.00 -0.01 0.00 0.00 66.41 64.46 2gpq h THR 168 Cb 1.19 1.60 -0.36 0.00 -1.07 0.00 0.00 68.15 69.51 2gpq h THR 168 CO 0.67 0.28 -0.70 -1.61 -0.01 0.00 0.00 175.52 174.15 2gpq s GLU 169 N -4.14 0.25 0.60 0.00 2.02 -1.26 -3.90 118.70 112.27 2gpq s GLU 169 Ca -0.02 -0.26 0.26 0.00 0.02 0.00 0.00 54.97 54.97 2gpq s GLU 169 Cb 0.14 -0.94 1.44 0.00 0.10 0.00 0.00 34.13 34.87 2gpq s GLU 169 CO 0.68 -0.98 1.79 0.00 0.02 0.00 0.00 175.26 176.77 2gpq h GLU 171 N 0.00 0.00 -4.31 0.00 4.11 -1.93 -3.39 114.58 109.06 2gpq h GLU 171 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.36 58.86 2gpq h GLU 171 Cb 0.65 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.95 2gpq h GLU 171 CO 0.00 0.00 2.23 -1.71 0.07 0.00 0.00 179.01 179.60 2gpq n ASN 172 N -2.91 2.73 -0.05 3.06 2.85 0.34 -4.65 115.26 116.63 2gpq n ASN 172 Ca 0.03 -2.57 0.24 0.00 -0.11 0.00 0.00 54.58 52.18 2gpq n ASN 172 Cb 0.45 -1.03 0.59 0.00 1.24 0.00 0.00 39.78 41.03 2gpq n ASN 172 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 2gpq h ARG 173 N 7.79 0.00 -0.45 1.20 3.08 -1.83 1.03 114.38 125.21 2gpq h ARG 173 Ca 0.41 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.41 2gpq h ARG 173 Cb 0.55 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 2gpq h ARG 173 CO 1.84 0.00 0.11 1.49 -1.07 0.00 0.00 179.97 182.34 2gpq h GLU 174 N 0.00 0.72 0.10 0.04 4.22 -1.96 0.82 114.58 118.52 2gpq h GLU 174 Ca 0.34 -0.17 -0.31 0.00 0.08 0.00 0.00 59.36 59.30 2gpq h GLU 174 Cb 2.01 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 31.15 2gpq h GLU 174 CO -0.00 0.71 -1.63 0.00 -2.18 0.00 0.00 179.01 175.91 2gpq h ALA 175 N 0.97 0.30 -0.14 2.92 0.00 0.36 -2.03 119.26 121.65 2gpq h ALA 175 Ca 0.14 -1.24 -0.00 0.00 0.00 0.00 0.00 54.91 53.81 2gpq h ALA 175 Cb 0.31 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2gpq h ALA 175 CO 0.00 1.00 0.08 0.28 0.00 0.00 0.00 179.25 180.62 2gpq h VAL 176 N -0.29 1.08 0.00 0.00 2.07 0.38 -2.64 116.25 116.85 2gpq h VAL 176 Ca -0.36 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 2gpq h VAL 176 Cb 1.78 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 32.50 2gpq h VAL 176 CO 0.01 0.07 -0.17 0.74 0.02 0.00 0.00 177.57 178.24 2gpq h THR 177 N 0.14 1.40 -0.41 2.57 2.02 0.49 -0.51 112.91 118.62 2gpq h THR 177 Ca 0.05 -2.12 0.08 0.00 0.77 0.00 0.00 66.41 65.20 2gpq h THR 177 Cb 0.04 2.72 -0.09 0.00 -1.74 0.00 0.00 68.15 69.07 2gpq h THR 177 CO -0.01 0.48 -0.30 -0.74 0.37 0.00 0.00 175.52 175.32 2gpq h HIS 178 N -1.00 -0.81 0.22 3.16 6.17 -1.19 1.47 115.15 123.17 2gpq h HIS 178 Ca -0.04 0.06 -0.33 0.00 0.71 0.00 0.00 60.37 60.76 2gpq h HIS 178 Cb 0.89 0.42 0.04 0.00 2.52 0.00 0.00 27.41 31.28 2gpq h HIS 178 CO 0.21 -0.36 -1.42 0.97 0.71 0.00 0.00 177.93 178.03 2gpq h ILE 179 N -0.22 1.28 -0.71 6.26 2.10 -1.64 -1.58 117.51 123.00 2gpq h ILE 179 Ca 0.18 -2.64 0.05 0.00 1.08 0.00 0.00 64.86 63.54 2gpq h ILE 179 Cb 0.52 2.95 -0.04 0.00 -1.09 0.00 0.00 36.82 39.16 2gpq h ILE 179 CO -0.54 0.79 0.47 1.23 -1.08 0.00 0.00 178.15 179.02 2gpq h GLY 180 N 0.20 0.95 1.22 8.18 0.00 -0.54 0.72 103.07 113.79 2gpq h GLY 180 Ca -0.24 -0.31 -0.34 0.00 0.00 0.00 0.00 47.33 46.44 2gpq h GLY 180 CO 0.27 0.25 -1.49 -0.09 0.00 0.00 0.00 176.54 175.48 2gpq h ARG 181 N 0.79 0.53 -0.45 4.80 9.65 0.20 -2.71 114.38 127.18 2gpq h ARG 181 Ca 0.29 -0.91 -0.08 0.00 -1.10 0.00 0.00 59.98 58.19 2gpq h ARG 181 Cb 0.17 0.34 -0.02 0.00 -1.39 0.00 0.00 29.97 29.07 2gpq h ARG 181 CO -0.09 1.44 -0.01 0.28 2.80 0.00 0.00 179.97 184.38 2gpq h VAL 182 N 0.13 1.26 -0.23 0.20 2.07 -0.75 0.87 116.25 119.81 2gpq h VAL 182 Ca -0.26 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.17 2gpq h VAL 182 Cb 2.16 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.97 2gpq h VAL 182 CO 0.27 0.37 0.05 0.22 0.02 0.00 0.00 177.57 178.50 2gpq h TYR 183 N 0.65 0.38 -0.09 1.57 5.03 0.34 1.08 116.97 125.94 2gpq h TYR 183 Ca 0.13 -0.05 -0.14 0.00 2.58 0.00 0.00 58.73 61.25 2gpq h TYR 183 Cb 0.52 -0.11 0.01 0.00 1.55 0.00 0.00 36.73 38.69 2gpq h TYR 183 CO 0.04 0.48 -0.48 1.57 -1.32 0.00 0.00 178.16 178.45 2gpq h LYS 184 N 0.18 0.48 0.04 1.82 2.10 -1.42 -2.42 116.57 117.35 2gpq h LYS 184 Ca 0.07 -0.40 -0.28 0.00 -2.00 0.00 0.00 60.65 58.04 2gpq h LYS 184 Cb 0.29 0.08 0.02 0.00 -0.90 0.00 0.00 32.23 31.73 2gpq h LYS 184 CO 0.00 1.03 -1.12 1.49 -2.00 0.00 0.00 179.45 178.85 2gpq h GLU 185 N 0.05 0.68 -0.04 0.07 4.22 0.76 -1.20 114.58 119.12 2gpq h GLU 185 Ca -0.03 -0.79 -0.24 0.00 0.08 0.00 0.00 59.36 58.37 2gpq h GLU 185 Cb 1.13 0.24 0.02 0.00 0.50 0.00 0.00 28.75 30.63 2gpq h GLU 185 CO 0.10 1.35 -0.93 -0.09 -2.18 0.00 0.00 179.01 177.26 2gpq h ARG 186 N 0.36 0.70 0.00 1.92 9.65 0.11 -3.26 114.38 123.86 2gpq h ARG 186 Ca -0.15 -0.70 -0.14 0.00 -1.10 0.00 0.00 59.98 57.89 2gpq h ARG 186 Cb 1.78 0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 30.52 2gpq h ARG 186 CO 0.22 1.29 -0.64 1.25 2.80 0.00 0.00 179.97 184.88 2gpq h LEU 187 N 0.39 0.00 -1.11 3.80 5.85 -1.48 -3.48 115.31 119.27 2gpq h LEU 187 Ca -0.10 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2gpq h LEU 187 Cb 1.58 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.61 2gpq h LEU 187 CO 0.18 0.64 0.00 0.61 -0.34 0.00 0.00 178.44 179.54 2gpq n GLY 188 N 1.03 0.76 0.12 3.75 0.00 -0.70 -5.02 105.19 105.13 2gpq n GLY 188 Ca 0.01 -0.47 -0.18 0.00 0.00 0.00 0.00 46.02 45.38 2gpq n GLY 188 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2gpq h LEU 189 N 0.00 0.40 -0.93 0.99 3.38 -1.49 -3.36 115.31 114.31 2gpq h LEU 189 Ca 0.00 -0.85 0.23 0.00 0.09 0.00 0.00 57.88 57.35 2gpq h LEU 189 Cb 0.79 -0.13 -0.17 0.00 0.09 0.00 0.00 40.66 41.24 2gpq h LEU 189 CO 0.00 1.21 -0.05 -0.65 0.09 0.00 0.00 178.44 179.05 2gpq h PRO 190 N -0.35 0.03 -1.57 1.13 0.11 -1.69 0.78 132.00 130.43 2gpq h PRO 190 Ca -0.08 -0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.81 2gpq h PRO 190 Cb 1.34 -0.01 -0.10 0.00 0.11 0.00 0.00 31.00 32.35 2gpq h PRO 190 CO 0.11 0.02 0.28 -0.35 -0.21 0.00 0.00 178.00 177.84 2gpq n PRO 191 N -5.49 1.53 0.00 1.05 -0.04 -1.26 -4.56 135.00 126.24 2gpq n PRO 191 Ca 0.19 -1.06 0.00 0.00 -0.04 0.00 0.00 63.50 62.59 2gpq n PRO 191 Cb 0.62 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 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 0.60 0.00 -4.10 0.54 3.00 0.55 -5.14 118.16 113.61 2gpq n LYS 192 Ca 0.20 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 58.15 2gpq n LYS 192 Cb 0.60 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.56 2gpq n LYS 192 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2gpq s ILE 193 N -0.50 4.97 -0.37 3.15 -1.09 0.24 -5.08 121.20 122.52 2gpq s ILE 193 Ca 0.00 0.00 -0.18 0.00 -2.23 0.00 0.00 60.65 58.24 2gpq s ILE 193 Cb 0.00 -3.13 0.00 0.00 -1.58 0.00 0.00 42.46 37.75 2gpq s ILE 193 CO 0.00 0.61 0.52 0.68 -1.23 0.00 0.00 174.94 175.52 2gpq s VAL 194 N -0.97 5.00 -0.51 2.92 -7.23 -1.26 -3.23 120.40 115.13 2gpq s VAL 194 Ca 0.14 0.20 -0.22 0.00 -1.81 0.00 0.00 61.98 60.29 2gpq s VAL 194 Cb -0.12 -4.01 0.04 0.00 0.56 0.00 0.00 36.38 32.86 2gpq s VAL 194 CO 0.03 -0.30 0.79 -0.51 -0.31 0.00 0.00 175.10 174.81 2gpq s ILE 195 N 2.41 4.62 0.61 -0.62 2.07 0.35 -3.97 121.20 126.66 2gpq s ILE 195 Ca 0.18 0.04 -0.06 0.00 -1.41 0.00 0.00 60.65 59.40 2gpq s ILE 195 Cb -0.15 -4.40 0.01 0.00 0.13 0.00 0.00 42.46 38.04 2gpq s ILE 195 CO 0.14 -0.92 0.93 -0.83 -1.91 0.00 0.00 174.94 172.35 2gpq s GLY 196 N 2.62 1.61 -0.22 1.50 0.00 -1.16 -3.03 107.32 108.65 2gpq s GLY 196 Ca 0.25 -0.68 -0.06 0.00 0.00 0.00 0.00 44.72 44.22 2gpq s GLY 196 CO 0.17 -0.38 0.04 -0.19 0.00 0.00 0.00 173.10 172.74 2gpq s TYR 197 N -3.04 3.08 -0.15 1.90 1.51 0.21 -1.44 117.35 119.43 2gpq s TYR 197 Ca 0.55 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 56.23 2gpq s TYR 197 Cb -0.11 -2.15 0.02 0.00 -0.11 0.00 0.00 41.96 39.61 2gpq s TYR 197 CO 0.46 -0.25 -0.17 -0.65 -1.11 0.00 0.00 175.55 173.83 2gpq s GLN 198 N 1.20 2.52 -0.30 -0.62 -0.21 0.55 -0.74 119.66 122.05 2gpq s GLN 198 Ca 0.04 -0.65 -0.02 0.00 0.02 0.00 0.00 55.36 54.75 2gpq s GLN 198 Cb -0.14 -2.21 0.05 0.00 1.00 0.00 0.00 33.01 31.71 2gpq s GLN 198 CO 0.02 -0.17 0.01 -1.54 -2.12 0.00 0.00 175.29 171.48 2gpq s SER 199 N 1.28 4.91 0.60 5.90 1.04 -1.26 -0.59 113.70 125.58 2gpq s SER 199 Ca 0.02 -1.28 0.37 0.00 0.48 0.00 0.00 55.95 55.54 2gpq s SER 199 Cb -0.14 -1.72 1.93 0.00 0.10 0.00 0.00 66.02 66.19 2gpq s SER 199 CO -0.09 -0.27 2.21 0.45 0.98 0.00 0.00 173.24 176.53 2gpq h HIS 200 N 8.00 0.00 -0.90 5.02 3.86 -1.66 -2.60 115.15 126.88 2gpq h HIS 200 Ca -0.21 0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.12 2gpq h HIS 200 Cb 1.06 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.46 2gpq h HIS 200 CO 0.61 0.02 0.58 0.00 0.86 0.00 0.00 177.93 180.00 2gpq h ALA 201 N 1.98 1.72 -0.07 2.45 0.00 -1.05 0.39 119.26 124.67 2gpq h ALA 201 Ca -0.00 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2gpq h ALA 201 Cb 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2gpq h ALA 201 CO 0.00 0.07 -0.35 0.22 0.00 0.00 0.00 179.25 179.19 2gpq h ASP 202 N 0.80 0.14 0.15 0.00 1.82 -1.78 -2.64 116.42 114.91 2gpq h ASP 202 Ca 0.43 -0.05 -0.05 0.00 -0.39 0.00 0.00 57.03 56.98 2gpq h ASP 202 Cb 0.56 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.52 2gpq h ASP 202 CO -0.20 0.49 -0.18 0.74 -1.61 0.00 0.00 179.24 178.48 2gpq h THR 203 N 0.12 1.16 -1.08 2.25 2.02 -1.05 0.56 112.91 116.89 2gpq h THR 203 Ca 0.01 -0.73 -0.56 0.00 0.77 0.00 0.00 66.41 65.90 2gpq h THR 203 Cb 0.69 1.33 -0.22 0.00 -1.74 0.00 0.00 68.15 68.21 2gpq h THR 203 CO 0.05 0.22 0.67 0.00 0.37 0.00 0.00 175.52 176.83 2gpq n ALA 204 N -2.50 6.08 0.00 6.16 0.00 -0.99 -4.37 120.51 124.90 2gpq n ALA 204 Ca -0.02 -3.01 0.00 0.00 0.00 0.00 0.00 53.44 50.41 2gpq n ALA 204 Cb 0.27 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 17.91 2gpq n ALA 204 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2gpq n THR 205 N -0.04 0.00 -3.21 0.00 5.66 -1.05 -5.02 114.28 110.62 2gpq n THR 205 Ca 0.49 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 61.26 2gpq n THR 205 Cb 0.52 0.00 0.05 0.00 -1.55 0.00 0.00 70.33 69.35 2gpq n THR 205 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2gpq n LYS 206 N -2.19 -5.78 0.17 1.09 4.76 0.19 -4.87 118.16 111.55 2gpq n LYS 206 Ca 0.00 0.88 0.07 0.00 -2.87 0.00 0.00 58.31 56.39 2gpq n LYS 206 Cb 0.00 -5.80 0.57 0.00 -1.84 0.00 0.00 35.03 27.96 2gpq n LYS 206 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2gpq h SER 207 N -1.77 0.15 0.00 4.39 4.64 -1.96 -3.46 113.55 115.54 2gpq h SER 207 Ca -0.54 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 2gpq h SER 207 Cb 1.37 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 2gpq h SER 207 CO 0.57 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 177.25 2gpq n GLY 208 N -1.52 4.25 3.35 -0.77 0.00 -1.26 -5.17 105.19 104.07 2gpq n GLY 208 Ca -0.01 -0.86 -0.08 0.00 0.00 0.00 0.00 46.02 45.07 2gpq n GLY 208 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gpq s SER 209 N 1.54 -0.51 -1.46 1.61 0.01 -1.26 -4.91 113.70 108.72 2gpq s SER 209 Ca 0.00 1.09 -0.08 0.00 1.31 0.00 0.00 55.95 58.27 2gpq s SER 209 Cb 0.00 1.32 0.03 0.00 0.21 0.00 0.00 66.02 67.58 2gpq s SER 209 CO 0.00 -0.22 0.79 0.35 0.41 0.00 0.00 173.24 174.57 2gpq n THR 210 N 4.98 -2.04 -1.83 1.44 -2.24 -1.26 -4.88 114.28 108.45 2gpq n THR 210 Ca -0.14 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.62 2gpq n THR 210 Cb 0.52 -3.17 0.14 0.00 -2.10 0.00 0.00 70.33 65.72 2gpq n THR 210 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2gpq n THR 211 N -4.56 2.08 0.01 4.28 5.66 -1.26 -4.89 114.28 115.60 2gpq n THR 211 Ca -0.04 -3.31 0.00 0.00 -3.05 0.00 0.00 64.05 57.65 2gpq n THR 211 Cb 0.57 -0.32 0.00 0.00 -1.55 0.00 0.00 70.33 69.03 2gpq n THR 211 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2gpq n LYS 212 N -0.86 0.00 -3.59 1.09 4.81 -1.26 -5.09 118.16 113.26 2gpq n LYS 212 Ca 0.24 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.46 2gpq n LYS 212 Cb 0.81 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 35.70 2gpq n LYS 212 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2gpq s ASN 213 N -1.11 1.77 0.00 3.14 -0.87 -1.26 -4.96 114.94 111.65 2gpq s ASN 213 Ca 0.00 -0.32 0.00 0.00 -1.57 0.00 0.00 52.86 50.97 2gpq s ASN 213 Cb 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 41.25 41.22 2gpq s ASN 213 CO 0.00 -0.32 0.00 0.54 -2.57 0.00 0.00 177.10 174.75 2gpq n ARG 214 N 5.30 0.00 -4.11 -0.60 5.12 0.09 -4.10 116.66 118.35 2gpq n ARG 214 Ca -0.06 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.75 2gpq n ARG 214 Cb 0.49 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 31.69 2gpq n ARG 214 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 2gpq s PHE 215 N 0.00 0.74 -0.10 -1.55 5.36 -1.23 -4.91 117.98 116.28 2gpq s PHE 215 Ca 0.00 -0.73 0.03 0.00 -0.96 0.00 0.00 56.93 55.28 2gpq s PHE 215 Cb 0.00 -0.44 0.00 0.00 -0.34 0.00 0.00 43.02 42.24 2gpq s PHE 215 CO 0.00 -0.14 -0.21 0.14 -1.46 0.00 0.00 175.22 173.55 2gpq s VAL 216 N -2.57 1.87 0.00 3.12 -7.23 -1.26 -0.62 120.40 113.72 2gpq s VAL 216 Ca 0.01 -0.91 0.00 0.00 -1.81 0.00 0.00 61.98 59.27 2gpq s VAL 216 Cb -0.02 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 35.28 2gpq s VAL 216 CO -0.03 0.52 0.00 0.52 -0.31 0.00 0.00 175.10 175.80