#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gqh s SER 2 N 0.00 2.22 -0.15 1.61 0.15 -1.26 -5.07 113.70 111.20 2gqh s SER 2 Ca 0.00 -0.52 -0.11 0.00 0.70 0.00 0.00 55.95 56.02 2gqh s SER 2 Cb 0.00 -0.16 -0.05 0.00 -1.71 0.00 0.00 66.02 64.09 2gqh s SER 2 CO 0.00 0.10 -0.13 -1.20 1.20 0.00 0.00 173.24 173.22 2gqh n SER 3 N 1.76 1.82 0.00 5.45 7.64 -1.26 -5.11 113.62 123.92 2gqh n SER 3 Ca -0.18 0.60 0.00 0.00 1.01 0.00 0.00 58.87 60.31 2gqh n SER 3 Cb 0.54 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 2gqh n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gqh n GLY 4 N 1.59 4.71 3.06 0.23 0.00 -1.26 -5.17 105.19 108.35 2gqh n GLY 4 Ca -0.11 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.75 2gqh n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gqh s SER 5 N 0.00 0.24 -0.28 1.61 0.01 -1.26 -5.14 113.70 108.88 2gqh s SER 5 Ca 0.00 -0.56 -0.01 0.00 1.31 0.00 0.00 55.95 56.69 2gqh s SER 5 Cb 0.00 0.17 0.09 0.00 0.21 0.00 0.00 66.02 66.49 2gqh s SER 5 CO 0.00 -0.43 0.06 -0.55 0.41 0.00 0.00 173.24 172.74 2gqh s SER 6 N -1.91 3.79 0.00 2.44 0.15 -1.26 -4.87 113.70 112.04 2gqh s SER 6 Ca -0.08 -1.42 0.00 0.00 0.70 0.00 0.00 55.95 55.15 2gqh s SER 6 Cb -0.04 -0.88 0.00 0.00 -1.71 0.00 0.00 66.02 63.39 2gqh s SER 6 CO -0.03 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.65 2gqh n GLY 7 N 4.84 2.33 3.51 9.45 0.00 -1.26 -5.14 105.19 118.92 2gqh n GLY 7 Ca -0.05 -1.15 -0.11 0.00 0.00 0.00 0.00 46.02 44.71 2gqh n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gqh s ALA 8 N 0.00 0.30 0.40 4.61 0.00 -1.26 -5.04 121.76 120.76 2gqh s ALA 8 Ca 0.00 -1.21 0.07 0.00 0.00 0.00 0.00 51.96 50.82 2gqh s ALA 8 Cb 0.00 1.13 -0.08 0.00 0.00 0.00 0.00 23.12 24.18 2gqh s ALA 8 CO 0.00 -0.80 0.00 -0.98 0.00 0.00 0.00 175.76 173.98 2gqh s ARG 9 N -3.64 1.92 -0.66 0.00 1.70 -1.26 -3.89 118.95 113.11 2gqh s ARG 9 Ca 0.27 -2.07 -0.19 0.00 -0.47 0.00 0.00 55.73 53.27 2gqh s ARG 9 Cb 0.00 -1.59 0.12 0.00 -0.57 0.00 0.00 34.95 32.91 2gqh s ARG 9 CO 0.13 -0.04 0.77 -0.06 -1.08 0.00 0.00 175.30 175.03 2gqh s PHE 10 N -2.74 3.07 0.06 5.89 0.08 -1.26 -2.89 117.98 120.19 2gqh s PHE 10 Ca 0.35 -1.10 0.10 0.00 0.12 0.00 0.00 56.93 56.40 2gqh s PHE 10 Cb 0.09 -4.04 -0.08 0.00 -0.57 0.00 0.00 43.02 38.42 2gqh s PHE 10 CO 0.18 -1.30 1.35 0.00 -0.10 0.00 0.00 175.22 175.35 2gqh h THR 11 N 5.80 1.46 0.00 0.64 1.03 -1.91 -3.35 112.91 116.58 2gqh h THR 11 Ca -0.20 -2.99 -0.31 0.00 -0.01 0.00 0.00 66.41 62.90 2gqh h THR 11 Cb 1.07 2.67 -0.06 0.00 -1.07 0.00 0.00 68.15 70.77 2gqh h THR 11 CO 1.07 0.82 -2.18 1.21 -0.01 0.00 0.00 175.52 176.43 2gqh n GLU 12 N -3.35 0.96 -0.95 0.00 2.13 -1.18 -5.05 120.64 113.20 2gqh n GLU 12 Ca 0.00 0.05 0.12 0.00 0.66 0.00 0.00 57.16 57.99 2gqh n GLU 12 Cb 0.86 -1.43 -0.06 0.00 0.27 0.00 0.00 31.44 31.08 2gqh n GLU 12 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2gqh n GLY 13 N 2.19 -3.02 3.70 8.31 0.00 -1.26 -4.79 105.19 110.32 2gqh n GLY 13 Ca -0.32 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 2gqh n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gqh s LEU 14 N -6.20 4.33 0.17 0.99 1.43 -1.26 -4.64 118.68 113.49 2gqh s LEU 14 Ca 0.00 1.80 -0.02 0.00 -1.03 0.00 0.00 54.13 54.87 2gqh s LEU 14 Cb 0.00 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.60 2gqh s LEU 14 CO 0.00 -0.44 0.38 -0.60 0.23 0.00 0.00 176.35 175.92 2gqh s ARG 15 N 1.48 3.56 0.42 1.70 6.06 -1.26 -4.79 118.95 126.11 2gqh s ARG 15 Ca 0.55 -0.24 -0.26 0.00 -2.50 0.00 0.00 55.73 53.27 2gqh s ARG 15 Cb -0.24 -2.85 -0.10 0.00 0.06 0.00 0.00 34.95 31.82 2gqh s ARG 15 CO 0.25 0.43 1.45 -1.71 -2.50 0.00 0.00 175.30 173.23 2gqh n ASN 16 N -0.32 3.50 -4.17 -2.12 4.05 -1.26 -4.84 115.26 110.10 2gqh n ASN 16 Ca -0.04 1.17 -0.16 0.00 0.45 0.00 0.00 54.58 56.00 2gqh n ASN 16 Cb 0.53 -1.61 -0.11 0.00 1.23 0.00 0.00 39.78 39.82 2gqh n ASN 16 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 2gqh s GLU 17 N -2.28 0.82 -0.09 1.20 -6.30 -1.21 -5.05 118.70 105.78 2gqh s GLU 17 Ca 0.58 -1.04 -0.04 0.00 -2.50 0.00 0.00 54.97 51.97 2gqh s GLU 17 Cb -0.46 -0.67 0.04 0.00 0.00 0.00 0.00 34.13 33.04 2gqh s GLU 17 CO 0.60 0.13 0.20 -2.00 0.02 0.00 0.00 175.26 174.21 2gqh s GLU 18 N -2.20 0.16 -0.15 4.30 2.12 -1.26 -2.56 118.70 119.10 2gqh s GLU 18 Ca 0.01 0.45 -0.13 0.00 0.36 0.00 0.00 54.97 55.66 2gqh s GLU 18 Cb -0.07 -0.14 0.04 0.00 0.26 0.00 0.00 34.13 34.22 2gqh s GLU 18 CO 0.01 -0.16 0.40 0.00 -0.54 0.00 0.00 175.26 174.97 2gqh s ALA 19 N 1.19 -0.99 1.11 6.30 0.00 -0.68 -4.97 121.76 123.73 2gqh s ALA 19 Ca -0.09 1.18 -0.16 0.00 0.00 0.00 0.00 51.96 52.89 2gqh s ALA 19 Cb -0.11 -0.69 0.16 0.00 0.00 0.00 0.00 23.12 22.48 2gqh s ALA 19 CO -0.07 -0.20 0.39 -1.33 0.00 0.00 0.00 175.76 174.55 2gqh n MET 20 N 3.06 -1.69 -2.26 0.00 2.81 -1.26 -3.41 117.12 114.36 2gqh n MET 20 Ca -0.15 -0.47 -0.35 0.00 -1.81 0.00 0.00 57.70 54.93 2gqh n MET 20 Cb 0.57 -1.88 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 2gqh n MET 20 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2gqh s GLU 21 N -3.79 3.38 0.00 0.03 2.12 0.34 -3.05 118.70 117.73 2gqh s GLU 21 Ca 0.60 1.55 0.00 0.00 0.36 0.00 0.00 54.97 57.49 2gqh s GLU 21 Cb -0.17 -2.01 0.00 0.00 0.26 0.00 0.00 34.13 32.20 2gqh s GLU 21 CO 0.66 -0.82 0.00 0.41 -0.54 0.00 0.00 175.26 174.97 2gqh n GLY 22 N 0.04 2.91 3.54 -1.50 0.00 -0.09 -4.86 105.19 105.23 2gqh n GLY 22 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 2gqh n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gqh n ALA 23 N -0.14 -3.33 -3.64 4.61 0.00 -1.17 -3.97 120.51 112.87 2gqh n ALA 23 Ca 0.00 -1.64 -0.39 0.00 0.00 0.00 0.00 53.44 51.41 2gqh n ALA 23 Cb 0.00 -0.11 -0.10 0.00 0.00 0.00 0.00 19.45 19.24 2gqh n ALA 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2gqh s THR 24 N -3.04 3.79 0.08 0.00 2.01 -1.26 -2.17 115.64 115.05 2gqh s THR 24 Ca 0.71 -1.89 -0.30 0.00 0.31 0.00 0.00 61.69 60.52 2gqh s THR 24 Cb -0.07 -3.53 -0.10 0.00 0.01 0.00 0.00 72.50 68.82 2gqh s THR 24 CO 0.55 -0.72 1.92 0.00 -0.69 0.00 0.00 174.62 175.68 2gqh s ALA 25 N 1.27 3.67 -0.24 7.40 0.00 -1.07 -4.72 121.76 128.06 2gqh s ALA 25 Ca 0.07 1.40 0.02 0.00 0.00 0.00 0.00 51.96 53.44 2gqh s ALA 25 Cb -0.25 -3.82 0.06 0.00 0.00 0.00 0.00 23.12 19.12 2gqh s ALA 25 CO -0.02 -1.43 -0.09 0.99 0.00 0.00 0.00 175.76 175.21 2gqh s THR 26 N 3.72 1.82 0.77 0.00 2.01 -1.26 -0.88 115.64 121.82 2gqh s THR 26 Ca 0.86 -1.35 -0.04 0.00 0.31 0.00 0.00 61.69 61.47 2gqh s THR 26 Cb -0.45 -1.98 0.14 0.00 0.01 0.00 0.00 72.50 70.22 2gqh s THR 26 CO 0.40 -0.01 1.06 -0.76 -0.69 0.00 0.00 174.62 174.61 2gqh s LEU 27 N 1.27 2.92 -0.10 4.42 1.43 -0.95 -4.94 118.68 122.73 2gqh s LEU 27 Ca -0.06 -0.26 -0.22 0.00 -1.03 0.00 0.00 54.13 52.56 2gqh s LEU 27 Cb -0.19 -2.02 0.05 0.00 0.03 0.00 0.00 46.19 44.06 2gqh s LEU 27 CO -0.06 -2.03 0.52 -1.58 0.23 0.00 0.00 176.35 173.43 2gqh s GLN 28 N -5.28 0.78 -0.28 1.70 -0.44 -1.26 -3.68 119.66 111.19 2gqh s GLN 28 Ca 0.68 0.34 -0.25 0.00 -2.50 0.00 0.00 55.36 53.63 2gqh s GLN 28 Cb -0.05 0.37 0.12 0.00 -1.64 0.00 0.00 33.01 31.80 2gqh s GLN 28 CO 0.46 -0.19 0.99 0.00 0.50 0.00 0.00 175.29 177.05 2gqh s GLU 30 N 0.29 2.32 -0.05 0.00 2.12 -1.26 -0.85 118.70 121.26 2gqh s GLU 30 Ca 0.02 -0.89 -0.00 0.00 0.36 0.00 0.00 54.97 54.46 2gqh s GLU 30 Cb -0.05 -2.13 -0.03 0.00 0.26 0.00 0.00 34.13 32.18 2gqh s GLU 30 CO -0.06 0.50 -0.02 -0.51 -0.54 0.00 0.00 175.26 174.64 2gqh s LEU 31 N -0.46 3.43 0.47 2.70 1.43 -0.73 -3.11 118.68 122.42 2gqh s LEU 31 Ca 0.05 0.05 0.43 0.00 -1.03 0.00 0.00 54.13 53.63 2gqh s LEU 31 Cb -0.11 -1.83 1.49 0.00 0.03 0.00 0.00 46.19 45.77 2gqh s LEU 31 CO 0.01 0.34 1.36 -1.20 0.23 0.00 0.00 176.35 177.09 2gqh n SER 32 N 1.94 0.02 -3.55 2.29 7.64 -1.14 -4.40 113.62 116.43 2gqh n SER 32 Ca -0.17 0.90 -0.16 0.00 1.01 0.00 0.00 58.87 60.45 2gqh n SER 32 Cb 0.53 -0.45 -0.06 0.00 -1.01 0.00 0.00 64.21 63.22 2gqh n SER 32 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2gqh s LYS 33 N -4.66 1.04 -0.05 1.43 -2.85 -1.26 -5.08 119.74 108.31 2gqh s LYS 33 Ca -0.05 0.05 -0.38 0.00 -1.00 0.00 0.00 55.97 54.60 2gqh s LYS 33 Cb 0.24 0.48 -0.16 0.00 -2.06 0.00 0.00 37.83 36.33 2gqh s LYS 33 CO 0.77 -0.34 1.50 0.00 0.10 0.00 0.00 175.35 177.38 2gqh n ALA 34 N 0.73 -0.63 -3.57 0.59 0.00 -1.26 -4.62 120.51 111.75 2gqh n ALA 34 Ca -0.19 0.46 -0.13 0.00 0.00 0.00 0.00 53.44 53.59 2gqh n ALA 34 Cb 0.58 -2.14 -0.06 0.00 0.00 0.00 0.00 19.45 17.83 2gqh n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gqh s ALA 35 N 1.68 -1.88 0.21 0.00 0.00 -1.26 -4.69 121.76 115.81 2gqh s ALA 35 Ca 0.90 1.55 -0.30 0.00 0.00 0.00 0.00 51.96 54.11 2gqh s ALA 35 Cb -0.99 -0.59 -0.09 0.00 0.00 0.00 0.00 23.12 21.45 2gqh s ALA 35 CO 0.54 -0.32 1.29 -1.25 0.00 0.00 0.00 175.76 176.02 2gqh s PRO 36 N -0.95 4.40 0.41 0.00 0.04 -1.26 -4.91 135.00 132.74 2gqh s PRO 36 Ca -0.04 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.05 2gqh s PRO 36 Cb -0.01 -3.19 -0.00 0.00 0.04 0.00 0.00 34.50 31.34 2gqh s PRO 36 CO 0.03 -0.22 0.02 1.33 0.04 0.00 0.00 177.00 178.20 2gqh n VAL 37 N 2.45 0.00 -3.46 -0.36 0.24 -1.26 -4.79 118.33 111.15 2gqh n VAL 37 Ca 0.05 -1.98 -0.05 0.00 -2.04 0.00 0.00 64.34 60.32 2gqh n VAL 37 Cb 0.43 0.44 -0.06 0.00 -1.47 0.00 0.00 33.84 33.18 2gqh n VAL 37 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2gqh s GLU 38 N -3.48 0.42 0.39 7.34 2.12 0.56 -4.99 118.70 121.06 2gqh s GLU 38 Ca 0.02 0.95 -0.23 0.00 0.36 0.00 0.00 54.97 56.07 2gqh s GLU 38 Cb 0.00 0.22 -0.10 0.00 0.26 0.00 0.00 34.13 34.51 2gqh s GLU 38 CO 0.02 -0.44 0.96 -1.58 -0.54 0.00 0.00 175.26 173.67 2gqh s TRP 39 N 2.69 3.44 -0.21 5.30 0.52 -1.26 -0.83 118.94 128.59 2gqh s TRP 39 Ca 0.07 1.68 -0.04 0.00 0.02 0.00 0.00 56.10 57.83 2gqh s TRP 39 Cb -0.14 -2.90 0.11 0.00 -1.15 0.00 0.00 33.47 29.39 2gqh s TRP 39 CO -0.16 -0.04 0.33 1.03 0.02 0.00 0.00 176.95 178.12 2gqh s ARG 40 N -2.72 0.28 0.01 4.98 0.52 0.13 -3.50 118.95 118.64 2gqh s ARG 40 Ca 0.58 0.56 -0.18 0.00 -0.52 0.00 0.00 55.73 56.16 2gqh s ARG 40 Cb -0.14 -0.47 -0.06 0.00 0.52 0.00 0.00 34.95 34.80 2gqh s ARG 40 CO 0.18 -0.54 0.53 -1.59 0.02 0.00 0.00 175.30 173.90 2gqh s LYS 41 N 2.49 4.18 -1.10 3.54 -2.85 -1.14 -0.28 119.74 124.57 2gqh s LYS 41 Ca 0.08 0.62 -0.28 0.00 -1.00 0.00 0.00 55.97 55.39 2gqh s LYS 41 Cb -0.15 -3.29 0.04 0.00 -2.06 0.00 0.00 37.83 32.38 2gqh s LYS 41 CO -0.13 0.52 0.64 0.41 0.10 0.00 0.00 175.35 176.89 2gqh n GLY 42 N 2.13 -0.89 3.74 0.59 0.00 -1.15 0.10 105.19 109.71 2gqh n GLY 42 Ca -0.10 0.37 -0.28 0.00 0.00 0.00 0.00 46.02 46.01 2gqh n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2gqh n LEU 43 N -4.51 -1.29 -4.50 0.99 4.77 -1.26 -4.92 117.00 106.26 2gqh n LEU 43 Ca -0.15 -0.63 -0.24 0.00 -0.03 0.00 0.00 56.01 54.96 2gqh n LEU 43 Cb 0.56 -1.89 -0.10 0.00 -2.33 0.00 0.00 43.42 39.66 2gqh n LEU 43 CO 0.70 0.17 -0.39 -0.70 -1.33 0.00 0.00 177.39 175.84 2gqh s GLU 44 N -6.39 1.73 -0.20 3.23 2.12 0.28 -5.13 118.70 114.34 2gqh s GLU 44 Ca 0.54 -1.87 -0.11 0.00 0.36 0.00 0.00 54.97 53.88 2gqh s GLU 44 Cb -0.30 -1.57 -0.05 0.00 0.26 0.00 0.00 34.13 32.47 2gqh s GLU 44 CO 0.66 0.14 0.19 0.00 -0.54 0.00 0.00 175.26 175.71 2gqh s ALA 45 N -2.70 3.65 0.19 6.30 0.00 -1.26 -2.89 121.76 125.04 2gqh s ALA 45 Ca 0.31 -0.65 0.07 0.00 0.00 0.00 0.00 51.96 51.69 2gqh s ALA 45 Cb 0.02 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.83 2gqh s ALA 45 CO 0.15 0.07 0.07 -0.51 0.00 0.00 0.00 175.76 175.54 2gqh s LEU 46 N 0.53 3.52 0.24 0.00 1.43 -1.23 -4.93 118.68 118.25 2gqh s LEU 46 Ca 0.11 -0.31 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 2gqh s LEU 46 Cb -0.12 -2.14 -0.05 0.00 0.03 0.00 0.00 46.19 43.91 2gqh s LEU 46 CO 0.01 0.06 0.03 0.00 0.23 0.00 0.00 176.35 176.68 2gqh s ARG 47 N -3.16 1.35 -0.25 1.70 1.70 -1.26 -4.88 118.95 114.16 2gqh s ARG 47 Ca 0.30 -1.70 -0.09 0.00 -0.47 0.00 0.00 55.73 53.77 2gqh s ARG 47 Cb -0.09 -0.47 -0.04 0.00 -0.57 0.00 0.00 34.95 33.78 2gqh s ARG 47 CO 0.21 -0.17 0.12 0.16 -1.08 0.00 0.00 175.30 174.53 2gqh s ASP 48 N -3.30 5.61 0.00 -2.89 -4.77 -1.26 -4.65 116.67 105.41 2gqh s ASP 48 Ca 0.31 -0.06 0.00 0.00 -3.30 0.00 0.00 52.55 49.51 2gqh s ASP 48 Cb 0.07 -2.01 0.00 0.00 -1.09 0.00 0.00 42.92 39.89 2gqh s ASP 48 CO 0.10 0.01 0.00 0.61 0.70 0.00 0.00 175.17 176.59 2gqh n GLY 49 N 4.64 0.29 0.60 2.12 0.00 -1.06 -5.03 105.19 106.75 2gqh n GLY 49 Ca -0.15 0.44 -0.12 0.00 0.00 0.00 0.00 46.02 46.18 2gqh n GLY 49 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2gqh n ASP 50 N 0.00 1.00 -0.35 1.61 2.03 -1.26 -4.66 116.55 114.93 2gqh n ASP 50 Ca 0.00 0.17 0.07 0.00 0.52 0.00 0.00 54.79 55.55 2gqh n ASP 50 Cb 0.00 -0.40 0.25 0.00 -0.72 0.00 0.00 41.12 40.24 2gqh n ASP 50 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2gqh h LYS 51 N -0.46 0.96 -6.13 -0.67 1.63 -1.94 -3.42 116.57 106.54 2gqh h LYS 51 Ca -0.28 -0.06 -0.56 0.00 -0.85 0.00 0.00 60.65 58.90 2gqh h LYS 51 Cb 1.16 -0.22 -0.23 0.00 -0.60 0.00 0.00 32.23 32.34 2gqh h LYS 51 CO -0.17 0.64 -0.83 0.71 -3.45 0.00 0.00 179.45 176.35 2gqh s TYR 52 N -5.93 1.79 -0.37 1.91 2.02 -1.26 -2.68 117.35 112.83 2gqh s TYR 52 Ca -0.12 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.21 2gqh s TYR 52 Cb 0.22 -1.01 0.11 0.00 -0.40 0.00 0.00 41.96 40.88 2gqh s TYR 52 CO 0.81 0.17 0.11 0.45 -1.57 0.00 0.00 175.55 175.51 2gqh s SER 53 N -1.67 4.47 -0.50 2.29 0.15 -0.82 -2.58 113.70 115.04 2gqh s SER 53 Ca 0.07 -2.23 -0.26 0.00 0.70 0.00 0.00 55.95 54.22 2gqh s SER 53 Cb -0.10 -1.44 0.03 0.00 -1.71 0.00 0.00 66.02 62.81 2gqh s SER 53 CO 0.03 -0.35 1.00 -0.76 1.20 0.00 0.00 173.24 174.36 2gqh s LEU 54 N 0.81 3.89 -0.76 3.45 2.01 -1.26 -3.14 118.68 123.68 2gqh s LEU 54 Ca 0.12 0.08 0.03 0.00 0.01 0.00 0.00 54.13 54.37 2gqh s LEU 54 Cb -0.20 -3.18 0.19 0.00 0.01 0.00 0.00 46.19 43.01 2gqh s LEU 54 CO -0.09 -1.18 0.59 -1.14 1.01 0.00 0.00 176.35 175.54 2gqh n ARG 55 N 7.51 2.11 -2.14 1.70 3.00 -1.14 -5.07 116.66 122.63 2gqh n ARG 55 Ca 0.07 -4.51 -0.33 0.00 -0.00 0.00 0.00 57.85 53.08 2gqh n ARG 55 Cb 0.48 -2.32 0.00 0.00 0.00 0.00 0.00 32.46 30.63 2gqh n ARG 55 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 2gqh s GLN 56 N -1.54 3.42 0.23 -0.14 -0.44 -1.26 -3.27 119.66 116.65 2gqh s GLN 56 Ca 0.27 1.22 0.02 0.00 -2.50 0.00 0.00 55.36 54.37 2gqh s GLN 56 Cb -0.03 -2.05 -0.01 0.00 -1.64 0.00 0.00 33.01 29.28 2gqh s GLN 56 CO -0.15 -0.73 0.25 -0.25 0.50 0.00 0.00 175.29 174.92 2gqh n ASP 57 N -1.84 -0.68 -4.58 6.67 9.92 0.18 -4.95 116.55 121.27 2gqh n ASP 57 Ca 0.09 -2.37 -0.41 0.00 -0.53 0.00 0.00 54.79 51.57 2gqh n ASP 57 Cb 0.53 1.39 -0.03 0.00 -0.64 0.00 0.00 41.12 42.37 2gqh n ASP 57 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2gqh n GLY 58 N -0.41 0.71 2.22 0.44 0.00 -1.26 -2.16 105.19 104.73 2gqh n GLY 58 Ca 0.03 0.73 -0.13 0.00 0.00 0.00 0.00 46.02 46.66 2gqh n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gqh n ALA 59 N 13.30 -0.50 -3.54 4.61 0.00 -1.26 -4.85 120.51 128.27 2gqh n ALA 59 Ca 0.33 0.15 -0.14 0.00 0.00 0.00 0.00 53.44 53.77 2gqh n ALA 59 Cb 0.48 -1.45 -0.12 0.00 0.00 0.00 0.00 19.45 18.37 2gqh n ALA 59 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2gqh s VAL 60 N -2.37 -0.42 -0.14 0.00 1.01 -0.92 -1.78 120.40 115.79 2gqh s VAL 60 Ca 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.00 2gqh s VAL 60 Cb 0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 2gqh s VAL 60 CO 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 175.10 175.03 2gqh s GLU 62 N -0.01 1.07 0.35 0.00 2.12 -1.20 -2.26 118.70 118.77 2gqh s GLU 62 Ca 0.02 -0.71 -0.06 0.00 0.36 0.00 0.00 54.97 54.58 2gqh s GLU 62 Cb -0.13 -2.32 -0.05 0.00 0.26 0.00 0.00 34.13 31.89 2gqh s GLU 62 CO 0.02 -0.65 0.64 -1.17 -0.54 0.00 0.00 175.26 173.57 2gqh s LEU 63 N 1.64 3.94 -0.07 2.70 2.96 -1.24 -2.90 118.68 125.70 2gqh s LEU 63 Ca -0.02 0.84 -0.03 0.00 -0.22 0.00 0.00 54.13 54.69 2gqh s LEU 63 Cb -0.18 -3.69 0.04 0.00 0.50 0.00 0.00 46.19 42.86 2gqh s LEU 63 CO -0.08 -0.31 0.14 -1.10 -1.32 0.00 0.00 176.35 173.68 2gqh s GLN 64 N -3.85 0.05 -0.37 1.98 -0.21 -1.19 -2.23 119.66 113.85 2gqh s GLN 64 Ca 0.46 0.45 -0.03 0.00 0.02 0.00 0.00 55.36 56.26 2gqh s GLN 64 Cb -0.10 -0.24 0.08 0.00 1.00 0.00 0.00 33.01 33.75 2gqh s GLN 64 CO 0.33 -0.24 0.13 0.42 -2.12 0.00 0.00 175.29 173.81 2gqh s ILE 65 N 1.73 3.27 -0.07 1.08 1.01 -0.06 -1.94 121.20 126.21 2gqh s ILE 65 Ca -0.03 -1.72 -0.30 0.00 0.00 0.00 0.00 60.65 58.60 2gqh s ILE 65 Cb -0.12 -3.08 -0.02 0.00 0.01 0.00 0.00 42.46 39.25 2gqh s ILE 65 CO -0.06 -0.44 1.10 -1.00 0.00 0.00 0.00 174.94 174.54 2gqh s HIS 66 N 1.21 3.38 0.00 3.97 3.76 -1.09 -2.61 115.29 123.91 2gqh s HIS 66 Ca 0.03 1.43 0.00 0.00 -0.15 0.00 0.00 55.06 56.36 2gqh s HIS 66 Cb -0.21 -3.29 0.00 0.00 1.11 0.00 0.00 32.58 30.18 2gqh s HIS 66 CO -0.02 -0.72 0.00 0.41 -0.85 0.00 0.00 174.74 173.55 2gqh n GLY 67 N 3.20 -0.04 3.80 -2.22 0.00 -1.24 -4.92 105.19 103.77 2gqh n GLY 67 Ca 0.10 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 2gqh n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gqh s LEU 68 N -0.86 4.19 0.12 0.99 1.43 -0.92 -4.86 118.68 118.76 2gqh s LEU 68 Ca 0.00 1.79 -0.26 0.00 -1.03 0.00 0.00 54.13 54.63 2gqh s LEU 68 Cb 0.00 -4.21 0.07 0.00 0.03 0.00 0.00 46.19 42.08 2gqh s LEU 68 CO 0.00 -0.19 0.98 0.00 0.23 0.00 0.00 176.35 177.38 2gqh s ALA 69 N -1.82 -1.73 0.23 4.21 0.00 -1.26 -0.91 121.76 120.48 2gqh s ALA 69 Ca 0.55 0.28 -0.15 0.00 0.00 0.00 0.00 51.96 52.64 2gqh s ALA 69 Cb -0.15 0.59 0.28 0.00 0.00 0.00 0.00 23.12 23.83 2gqh s ALA 69 CO 0.20 -1.00 1.58 0.52 0.00 0.00 0.00 175.76 177.05 2gqh h MET 70 N 2.00 -0.04 -0.87 0.00 2.86 -1.96 0.32 114.93 117.24 2gqh h MET 70 Ca -0.24 0.00 0.23 0.00 -2.06 0.00 0.00 59.70 57.63 2gqh h MET 70 Cb 1.23 0.01 -0.15 0.00 0.06 0.00 0.00 31.60 32.75 2gqh h MET 70 CO 0.26 -0.03 0.15 0.00 1.06 0.00 0.00 176.91 178.35 2gqh h ALA 71 N 1.52 1.14 -0.85 6.32 0.00 -1.99 0.43 119.26 125.83 2gqh h ALA 71 Ca 0.35 0.25 0.09 0.00 0.00 0.00 0.00 54.91 55.60 2gqh h ALA 71 Cb 0.60 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 2gqh h ALA 71 CO -0.86 -0.48 0.50 -0.44 0.00 0.00 0.00 179.25 177.98 2gqh h ASP 72 N 0.15 0.75 -1.20 0.00 3.32 -0.74 -3.43 116.42 115.26 2gqh h ASP 72 Ca 0.53 0.04 -0.74 0.00 0.02 0.00 0.00 57.03 56.87 2gqh h ASP 72 Cb 1.05 -0.11 0.06 0.00 0.22 0.00 0.00 39.33 40.55 2gqh h ASP 72 CO -0.70 0.44 0.06 0.59 -1.72 0.00 0.00 179.24 177.90 2gqh n ASN 73 N -4.70 0.21 0.00 6.45 4.13 0.15 -4.71 115.26 116.79 2gqh n ASN 73 Ca 0.14 1.15 0.00 0.00 1.68 0.00 0.00 54.58 57.54 2gqh n ASN 73 Cb 0.25 -1.00 0.00 0.00 -1.54 0.00 0.00 39.78 37.50 2gqh n ASN 73 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2gqh n GLY 74 N 1.78 -0.22 3.08 7.41 0.00 -1.26 -5.05 105.19 110.92 2gqh n GLY 74 Ca 0.19 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 45.21 2gqh n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gqh s VAL 75 N -4.00 0.93 0.00 1.61 0.11 -1.26 -3.06 120.40 114.73 2gqh s VAL 75 Ca 0.00 -0.58 0.06 0.00 -2.93 0.00 0.00 61.98 58.52 2gqh s VAL 75 Cb 0.00 -0.79 -0.03 0.00 -1.53 0.00 0.00 36.38 34.03 2gqh s VAL 75 CO 0.00 0.20 -0.17 -0.31 -3.33 0.00 0.00 175.10 171.49 2gqh s TYR 76 N -0.39 2.59 -0.15 1.54 1.51 -1.04 -2.93 117.35 118.48 2gqh s TYR 76 Ca 0.04 -0.24 0.02 0.00 -1.01 0.00 0.00 57.07 55.88 2gqh s TYR 76 Cb -0.05 -1.53 0.01 0.00 -0.11 0.00 0.00 41.96 40.28 2gqh s TYR 76 CO -0.00 0.19 -0.21 -1.12 -1.11 0.00 0.00 175.55 173.30 2gqh s SER 77 N -1.08 3.07 -0.28 2.29 0.01 0.61 -2.10 113.70 116.22 2gqh s SER 77 Ca 0.13 -0.60 -0.08 0.00 1.31 0.00 0.00 55.95 56.71 2gqh s SER 77 Cb -0.10 -1.43 -0.01 0.00 0.21 0.00 0.00 66.02 64.69 2gqh s SER 77 CO 0.03 0.06 0.09 0.00 0.41 0.00 0.00 173.24 173.83 2gqh s VAL 79 N 1.57 5.18 0.00 0.00 1.01 -0.01 -1.60 120.40 126.55 2gqh s VAL 79 Ca 0.05 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.11 2gqh s VAL 79 Cb -0.16 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 32.97 2gqh s VAL 79 CO 0.04 0.61 0.00 0.00 0.00 0.00 0.00 175.10 175.74 2gqh s GLY 81 N -3.14 -0.56 -1.41 0.00 0.00 -1.25 -4.86 107.32 96.10 2gqh s GLY 81 Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 44.72 45.67 2gqh s GLY 81 CO 0.00 2.88 0.00 -1.06 0.00 0.00 0.00 173.10 174.92 2gqh n GLN 82 N 5.38 -1.96 -3.83 2.90 1.13 -1.26 -4.54 117.38 115.20 2gqh n GLN 82 Ca -0.02 0.80 -0.07 0.00 -1.94 0.00 0.00 57.00 55.77 2gqh n GLN 82 Cb 0.50 -5.42 0.01 0.00 0.11 0.00 0.00 30.24 25.43 2gqh n GLN 82 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 2gqh s GLU 83 N -5.00 1.83 -0.30 -1.09 -1.05 -1.26 -5.12 118.70 106.72 2gqh s GLU 83 Ca 0.00 -1.12 -0.16 0.00 -0.15 0.00 0.00 54.97 53.54 2gqh s GLU 83 Cb 0.00 0.55 0.17 0.00 -0.44 0.00 0.00 34.13 34.41 2gqh s GLU 83 CO 0.00 -0.85 1.07 -0.98 0.95 0.00 0.00 175.26 175.45 2gqh s ARG 84 N -2.87 0.24 0.15 -4.83 1.70 -1.26 -3.50 118.95 108.57 2gqh s ARG 84 Ca 0.15 0.51 0.00 0.00 -0.47 0.00 0.00 55.73 55.92 2gqh s ARG 84 Cb -0.04 0.20 -0.04 0.00 -0.57 0.00 0.00 34.95 34.50 2gqh s ARG 84 CO 0.08 -0.07 0.31 -0.08 -1.08 0.00 0.00 175.30 174.46 2gqh s THR 85 N 1.84 5.29 0.03 4.99 -1.32 -0.63 -4.88 115.64 120.96 2gqh s THR 85 Ca -0.05 -0.47 0.05 0.00 -1.21 0.00 0.00 61.69 60.02 2gqh s THR 85 Cb -0.04 -3.71 -0.02 0.00 -1.51 0.00 0.00 72.50 67.23 2gqh s THR 85 CO -0.15 -0.06 -0.14 -0.44 -2.21 0.00 0.00 174.62 171.62 2gqh s SER 86 N -2.99 1.69 0.25 8.08 0.01 -1.26 -0.93 113.70 118.55 2gqh s SER 86 Ca 0.36 -0.43 -0.01 0.00 1.31 0.00 0.00 55.95 57.18 2gqh s SER 86 Cb -0.12 -0.12 -0.03 0.00 0.21 0.00 0.00 66.02 65.97 2gqh s SER 86 CO 0.28 0.06 0.25 0.00 0.41 0.00 0.00 173.24 174.24 2gqh s ALA 87 N -0.77 1.06 -0.09 1.44 0.00 -0.89 -4.82 121.76 117.69 2gqh s ALA 87 Ca 0.02 -1.64 0.01 0.00 0.00 0.00 0.00 51.96 50.36 2gqh s ALA 87 Cb -0.08 1.34 0.02 0.00 0.00 0.00 0.00 23.12 24.40 2gqh s ALA 87 CO 0.01 -0.67 -0.12 0.99 0.00 0.00 0.00 175.76 175.98 2gqh s THR 88 N -3.86 1.17 -0.09 0.00 2.01 -1.26 -2.51 115.64 111.09 2gqh s THR 88 Ca 0.36 -0.46 -0.02 0.00 0.31 0.00 0.00 61.69 61.88 2gqh s THR 88 Cb 0.04 -1.10 -0.03 0.00 0.01 0.00 0.00 72.50 71.42 2gqh s THR 88 CO 0.16 0.37 0.01 -0.22 -0.69 0.00 0.00 174.62 174.25 2gqh s LEU 89 N 1.00 3.60 -0.18 4.42 2.96 -1.17 -3.36 118.68 125.94 2gqh s LEU 89 Ca -0.08 0.14 -0.03 0.00 -0.22 0.00 0.00 54.13 53.94 2gqh s LEU 89 Cb -0.15 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 44.70 2gqh s LEU 89 CO -0.00 0.36 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.44 2gqh s THR 90 N -0.80 3.45 -0.31 3.68 2.01 -1.06 -3.98 115.64 118.63 2gqh s THR 90 Ca 0.12 -0.49 -0.00 0.00 0.31 0.00 0.00 61.69 61.63 2gqh s THR 90 Cb -0.11 -2.53 0.06 0.00 0.01 0.00 0.00 72.50 69.93 2gqh s THR 90 CO 0.02 0.46 0.00 -0.69 -0.69 0.00 0.00 174.62 173.73 2gqh s VAL 91 N 0.96 2.76 0.17 3.82 1.01 -1.26 -1.69 120.40 126.18 2gqh s VAL 91 Ca -0.00 -1.62 -0.30 0.00 0.00 0.00 0.00 61.98 60.06 2gqh s VAL 91 Cb -0.15 -2.68 -0.07 0.00 0.00 0.00 0.00 36.38 33.48 2gqh s VAL 91 CO 0.00 -0.21 0.96 -0.13 0.00 0.00 0.00 175.10 175.72 2gqh s ARG 92 N 1.17 4.77 -0.05 2.72 1.81 -1.22 -4.75 118.95 123.40 2gqh s ARG 92 Ca -0.03 1.48 -0.25 0.00 -1.72 0.00 0.00 55.73 55.22 2gqh s ARG 92 Cb -0.20 -3.33 -0.04 0.00 -0.45 0.00 0.00 34.95 30.94 2gqh s ARG 92 CO -0.03 0.35 0.75 0.00 -0.68 0.00 0.00 175.30 175.69 2gqh s ALA 93 N -0.57 3.31 0.24 2.13 0.00 -1.26 0.13 121.76 125.73 2gqh s ALA 93 Ca 0.44 0.21 -0.21 0.00 0.00 0.00 0.00 51.96 52.40 2gqh s ALA 93 Cb -0.25 -3.02 -0.09 0.00 0.00 0.00 0.00 23.12 19.77 2gqh s ALA 93 CO 0.31 -0.11 0.77 -0.51 0.00 0.00 0.00 175.76 176.22 2gqh s LEU 94 N 0.77 4.37 0.00 0.00 1.43 -1.26 -4.93 118.68 119.05 2gqh s LEU 94 Ca 0.40 1.52 -0.15 0.00 -1.03 0.00 0.00 54.13 54.87 2gqh s LEU 94 Cb -0.18 -3.64 0.22 0.00 0.03 0.00 0.00 46.19 42.62 2gqh s LEU 94 CO 0.20 0.03 0.79 -0.81 0.23 0.00 0.00 176.35 176.79 2gqh n PRO 95 N 0.78 -2.56 -1.40 1.29 -0.04 -1.26 -4.90 135.00 126.90 2gqh n PRO 95 Ca -0.02 -1.26 -0.24 0.00 -0.04 0.00 0.00 63.50 61.94 2gqh n PRO 95 Cb 0.51 -1.18 -0.08 0.00 -0.04 0.00 0.00 33.50 32.71 2gqh n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2gqh n ALA 96 N -4.35 6.43 0.24 0.55 0.00 -1.26 -4.67 120.51 117.44 2gqh n ALA 96 Ca -0.15 -2.83 -0.09 0.00 0.00 0.00 0.00 53.44 50.37 2gqh n ALA 96 Cb 0.42 -2.17 -0.05 0.00 0.00 0.00 0.00 19.45 17.66 2gqh n ALA 96 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2gqh h ARG 97 N 2.98 -0.59 -7.14 0.00 1.12 -2.04 -3.44 114.38 105.26 2gqh h ARG 97 Ca 0.36 0.04 -0.45 0.00 -1.11 0.00 0.00 59.98 58.81 2gqh h ARG 97 Cb 0.85 0.13 0.07 0.00 -0.01 0.00 0.00 29.97 31.02 2gqh h ARG 97 CO 0.77 -0.40 0.14 0.12 -3.11 0.00 0.00 179.97 177.50 2gqh s PHE 98 N -4.35 2.95 0.01 2.20 5.36 -1.26 -5.11 117.98 117.78 2gqh s PHE 98 Ca -0.09 0.34 0.06 0.00 -0.96 0.00 0.00 56.93 56.28 2gqh s PHE 98 Cb 0.01 -3.00 -0.02 0.00 -0.34 0.00 0.00 43.02 39.67 2gqh s PHE 98 CO 0.27 -1.17 -0.19 -1.50 -1.46 0.00 0.00 175.22 171.16 2gqh s ILE 99 N -3.07 1.53 -0.39 3.12 1.10 -1.26 -5.08 121.20 117.15 2gqh s ILE 99 Ca 0.58 -0.96 -0.43 0.00 -0.51 0.00 0.00 60.65 59.33 2gqh s ILE 99 Cb -0.11 -1.30 -0.17 0.00 0.15 0.00 0.00 42.46 41.03 2gqh s ILE 99 CO 0.43 0.31 1.73 -0.62 -2.11 0.00 0.00 174.94 174.68 2gqh n GLU 100 N 2.28 0.61 -2.62 3.50 1.02 -1.26 -4.94 120.64 119.24 2gqh n GLU 100 Ca -0.16 0.22 -0.16 0.00 -0.02 0.00 0.00 57.16 57.04 2gqh n GLU 100 Cb 0.53 -1.84 0.05 0.00 -0.02 0.00 0.00 31.44 30.17 2gqh n GLU 100 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2gqh n ASP 101 N 5.15 1.72 -4.11 1.62 5.75 -1.26 -5.15 116.55 120.28 2gqh n ASP 101 Ca 0.31 -2.24 -0.23 0.00 -0.01 0.00 0.00 54.79 52.62 2gqh n ASP 101 Cb 0.05 -0.32 -0.09 0.00 -1.03 0.00 0.00 41.12 39.72 2gqh n ASP 101 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2gqh s SER 102 N -3.85 2.28 0.00 -1.12 0.01 -1.26 -5.17 113.70 104.59 2gqh s SER 102 Ca 0.47 -1.59 0.00 0.00 1.31 0.00 0.00 55.95 56.14 2gqh s SER 102 Cb -0.04 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.57 2gqh s SER 102 CO 0.30 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.69 2gqh n GLY 103 N -0.76 2.46 3.76 3.44 0.00 -1.26 -5.16 105.19 107.67 2gqh n GLY 103 Ca -0.03 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 2gqh n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gqh s PRO 104 N -2.00 2.08 -0.22 1.61 0.04 -1.26 -4.98 135.00 130.27 2gqh s PRO 104 Ca 0.00 1.11 -0.28 0.00 0.04 0.00 0.00 61.00 61.87 2gqh s PRO 104 Cb 0.00 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.66 2gqh s PRO 104 CO 0.00 -1.75 0.98 0.45 0.04 0.00 0.00 177.00 176.72 2gqh s SER 105 N -3.40 7.05 1.18 6.66 0.15 -1.26 -5.03 113.70 119.05 2gqh s SER 105 Ca 0.62 1.31 -0.16 0.00 0.70 0.00 0.00 55.95 58.41 2gqh s SER 105 Cb -0.17 -2.51 0.22 0.00 -1.71 0.00 0.00 66.02 61.85 2gqh s SER 105 CO 0.56 -0.61 0.55 -0.24 1.20 0.00 0.00 173.24 174.70 2gqh n SER 106 N 6.11 -2.29 0.00 5.45 2.88 -1.26 -5.38 113.62 119.13 2gqh n SER 106 Ca 0.10 -0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 2gqh n SER 106 Cb 0.47 -1.09 0.00 0.00 -0.75 0.00 0.00 64.21 62.84 2gqh n SER 106 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42