#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 2.41 0.35 1.61 0.15 -1.26 -5.17 113.70 111.80 2gqh s SER 2 Ca 0.00 -1.31 0.09 0.00 0.70 0.00 0.00 55.95 55.43 2gqh s SER 2 Cb 0.00 -0.10 -0.06 0.00 -1.71 0.00 0.00 66.02 64.15 2gqh s SER 2 CO 0.00 -0.52 -0.03 -0.94 1.20 0.00 0.00 173.24 172.95 2gqh s SER 3 N -3.45 3.96 -0.62 5.45 1.04 -1.26 -5.09 113.70 113.74 2gqh s SER 3 Ca 0.33 -1.12 -0.24 0.00 0.48 0.00 0.00 55.95 55.41 2gqh s SER 3 Cb 0.07 -0.44 0.05 0.00 0.10 0.00 0.00 66.02 65.81 2gqh s SER 3 CO 0.14 -0.25 0.99 -0.83 0.98 0.00 0.00 173.24 174.26 2gqh s GLY 4 N -3.68 1.34 0.08 7.32 0.00 -1.26 -4.92 107.32 106.21 2gqh s GLY 4 Ca 0.34 -1.51 -0.32 0.00 0.00 0.00 0.00 44.72 43.24 2gqh s GLY 4 CO 0.18 2.12 1.62 1.76 0.00 0.00 0.00 173.10 178.78 2gqh h SER 5 N 9.49 -0.85 -3.60 1.64 0.02 -2.08 -3.39 113.55 114.80 2gqh h SER 5 Ca -0.27 0.06 -0.57 0.00 -0.84 0.00 0.00 61.79 60.16 2gqh h SER 5 Cb 1.07 0.26 -0.07 0.00 0.14 0.00 0.00 62.40 63.80 2gqh h SER 5 CO 1.15 -0.50 0.86 -0.55 -1.14 0.00 0.00 176.83 176.65 2gqh s SER 6 N -4.52 6.70 0.00 3.07 0.15 -1.26 -4.98 113.70 112.86 2gqh s SER 6 Ca -0.17 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.07 2gqh s SER 6 Cb 0.05 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 2gqh s SER 6 CO 0.63 -1.12 0.00 0.61 1.20 0.00 0.00 173.24 174.55 2gqh n GLY 7 N 4.59 0.60 3.62 9.45 0.00 -1.26 -5.05 105.19 117.14 2gqh n GLY 7 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.90 3.57 -0.09 4.61 0.00 -1.26 -4.97 121.76 120.72 2gqh s ALA 8 Ca 0.00 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.28 2gqh s ALA 8 Cb 0.00 -2.72 -0.02 0.00 0.00 0.00 0.00 23.12 20.38 2gqh s ALA 8 CO 0.00 -0.58 -0.17 -0.98 0.00 0.00 0.00 175.76 174.03 2gqh s ARG 9 N 1.92 2.98 -0.34 0.00 1.70 -1.26 -4.10 118.95 119.85 2gqh s ARG 9 Ca 0.17 -0.75 -0.28 0.00 -0.47 0.00 0.00 55.73 54.41 2gqh s ARG 9 Cb -0.15 -2.45 -0.04 0.00 -0.57 0.00 0.00 34.95 31.74 2gqh s ARG 9 CO 0.09 0.34 2.11 -0.06 -1.08 0.00 0.00 175.30 176.70 2gqh s PHE 10 N -0.01 1.37 -0.16 5.89 0.40 -1.26 -2.39 117.98 121.82 2gqh s PHE 10 Ca -0.05 0.80 0.20 0.00 -0.60 0.00 0.00 56.93 57.28 2gqh s PHE 10 Cb -0.14 -3.92 -0.11 0.00 0.51 0.00 0.00 43.02 39.35 2gqh s PHE 10 CO 0.04 -3.28 0.83 -2.37 0.70 0.00 0.00 175.22 171.14 2gqh n THR 11 N 7.67 0.77 -0.05 0.64 5.66 -1.23 -4.45 114.28 123.30 2gqh n THR 11 Ca 0.28 -0.61 -0.06 0.00 -3.05 0.00 0.00 64.05 60.62 2gqh n THR 11 Cb 0.48 -0.44 -0.06 0.00 -1.55 0.00 0.00 70.33 68.77 2gqh n THR 11 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2gqh n GLU 12 N -2.69 1.37 0.00 1.09 4.07 -1.08 -5.06 120.64 118.35 2gqh n GLU 12 Ca -0.06 0.03 0.00 0.00 -0.06 0.00 0.00 57.16 57.07 2gqh n GLU 12 Cb 0.69 -1.21 0.00 0.00 -0.06 0.00 0.00 31.44 30.86 2gqh n GLU 12 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2gqh n GLY 13 N 2.76 -1.11 3.93 8.31 0.00 -1.25 -4.85 105.19 112.98 2gqh n GLY 13 Ca -0.16 -1.06 -0.21 0.00 0.00 0.00 0.00 46.02 44.59 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 0.00 4.07 0.49 0.99 1.43 -1.26 -4.23 118.68 120.17 2gqh s LEU 14 Ca 0.00 -0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.03 2gqh s LEU 14 Cb 0.00 -2.65 -0.02 0.00 0.03 0.00 0.00 46.19 43.54 2gqh s LEU 14 CO 0.00 -0.14 0.06 0.00 0.23 0.00 0.00 176.35 176.49 2gqh s ARG 15 N -3.98 2.16 0.10 1.70 1.70 -1.26 -4.91 118.95 114.46 2gqh s ARG 15 Ca 0.36 -2.27 -0.30 0.00 -0.47 0.00 0.00 55.73 53.04 2gqh s ARG 15 Cb -0.09 -1.64 -0.06 0.00 -0.57 0.00 0.00 34.95 32.60 2gqh s ARG 15 CO 0.28 -0.31 1.15 -0.80 -1.08 0.00 0.00 175.30 174.54 2gqh s ASN 16 N -3.89 7.15 0.27 -2.89 -0.87 -1.26 -4.53 114.94 108.92 2gqh s ASN 16 Ca 0.16 2.02 0.12 0.00 -1.57 0.00 0.00 52.86 53.59 2gqh s ASN 16 Cb 0.03 -2.59 -0.05 0.00 -0.02 0.00 0.00 41.25 38.62 2gqh s ASN 16 CO 0.09 -0.38 -0.20 -0.70 -2.57 0.00 0.00 177.10 173.34 2gqh s GLU 17 N 0.58 1.69 -0.28 -0.60 2.56 -0.89 -5.03 118.70 116.73 2gqh s GLU 17 Ca 0.55 -1.74 -0.17 0.00 0.00 0.00 0.00 54.97 53.61 2gqh s GLU 17 Cb -0.29 -1.79 0.09 0.00 2.00 0.00 0.00 34.13 34.15 2gqh s GLU 17 CO 0.31 0.34 0.76 -2.00 -0.56 0.00 0.00 175.26 174.11 2gqh s GLU 18 N -3.45 0.64 0.32 4.30 -6.30 -1.26 -2.56 118.70 110.39 2gqh s GLU 18 Ca 0.29 1.07 -0.04 0.00 -2.50 0.00 0.00 54.97 53.80 2gqh s GLU 18 Cb -0.05 0.15 -0.00 0.00 0.00 0.00 0.00 34.13 34.23 2gqh s GLU 18 CO 0.15 -0.13 0.45 0.00 0.02 0.00 0.00 175.26 175.75 2gqh s ALA 19 N 1.43 0.68 0.47 6.30 0.00 -0.36 -4.96 121.76 125.32 2gqh s ALA 19 Ca -0.09 -1.46 0.05 0.00 0.00 0.00 0.00 51.96 50.46 2gqh s ALA 19 Cb -0.05 1.17 0.02 0.00 0.00 0.00 0.00 23.12 24.26 2gqh s ALA 19 CO -0.17 -0.78 0.66 -1.64 0.00 0.00 0.00 175.76 173.83 2gqh s MET 20 N -3.26 2.74 0.13 0.00 -1.94 -1.26 -1.22 119.30 114.49 2gqh s MET 20 Ca 0.30 -0.98 -0.31 0.00 -1.71 0.00 0.00 55.69 52.99 2gqh s MET 20 Cb 0.00 -2.63 -0.07 0.00 2.01 0.00 0.00 34.83 34.13 2gqh s MET 20 CO 0.18 -0.44 1.28 -2.00 -0.01 0.00 0.00 175.02 174.04 2gqh s GLU 21 N -4.53 4.40 0.00 2.03 2.12 0.39 -2.59 118.70 120.52 2gqh s GLU 21 Ca 0.55 1.95 0.00 0.00 0.36 0.00 0.00 54.97 57.83 2gqh s GLU 21 Cb -0.10 -3.26 0.00 0.00 0.26 0.00 0.00 34.13 31.03 2gqh s GLU 21 CO 0.35 -0.28 0.00 0.41 -0.54 0.00 0.00 175.26 175.20 2gqh n GLY 22 N 2.94 1.57 3.93 -1.50 0.00 0.46 -4.73 105.19 107.87 2gqh n GLY 22 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 2gqh n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gqh s ALA 23 N -2.39 2.30 -0.37 4.61 0.00 -1.07 -4.44 121.76 120.41 2gqh s ALA 23 Ca 0.00 -1.16 -0.02 0.00 0.00 0.00 0.00 51.96 50.78 2gqh s ALA 23 Cb 0.00 -2.78 0.09 0.00 0.00 0.00 0.00 23.12 20.43 2gqh s ALA 23 CO 0.00 -2.34 0.13 0.99 0.00 0.00 0.00 175.76 174.54 2gqh s THR 24 N -3.85 3.17 1.06 0.00 2.01 -1.26 -3.02 115.64 113.76 2gqh s THR 24 Ca 0.73 -1.83 -0.12 0.00 0.31 0.00 0.00 61.69 60.78 2gqh s THR 24 Cb -0.05 -3.06 0.23 0.00 0.01 0.00 0.00 72.50 69.63 2gqh s THR 24 CO 0.52 -0.49 1.06 0.00 -0.69 0.00 0.00 174.62 175.03 2gqh s ALA 25 N 1.17 0.33 -0.30 7.40 0.00 -1.13 -4.86 121.76 124.37 2gqh s ALA 25 Ca 0.04 -0.12 -0.05 0.00 0.00 0.00 0.00 51.96 51.83 2gqh s ALA 25 Cb -0.21 -3.22 0.17 0.00 0.00 0.00 0.00 23.12 19.85 2gqh s ALA 25 CO -0.03 -3.29 0.64 0.99 0.00 0.00 0.00 175.76 174.06 2gqh s THR 26 N -2.68 -0.97 0.43 0.00 2.01 -1.26 -3.23 115.64 109.94 2gqh s THR 26 Ca 0.67 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.75 2gqh s THR 26 Cb -0.22 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.30 2gqh s THR 26 CO 0.61 0.00 0.58 -0.76 -0.69 0.00 0.00 174.62 174.36 2gqh s LEU 27 N 2.87 3.64 -0.14 4.42 1.43 -0.63 -4.94 118.68 125.32 2gqh s LEU 27 Ca 0.11 -0.44 -0.29 0.00 -1.03 0.00 0.00 54.13 52.49 2gqh s LEU 27 Cb -0.14 -2.62 0.07 0.00 0.03 0.00 0.00 46.19 43.54 2gqh s LEU 27 CO -0.20 -0.78 0.70 -1.10 0.23 0.00 0.00 176.35 175.20 2gqh s GLN 28 N -4.36 0.96 -0.10 1.70 -0.21 -1.26 -3.02 119.66 113.37 2gqh s GLN 28 Ca 0.55 0.56 -0.30 0.00 0.02 0.00 0.00 55.36 56.19 2gqh s GLN 28 Cb -0.10 0.46 0.08 0.00 1.00 0.00 0.00 33.01 34.45 2gqh s GLN 28 CO 0.33 -0.23 0.72 0.00 -2.12 0.00 0.00 175.29 173.99 2gqh s GLU 30 N -0.89 2.91 0.14 0.00 2.12 -1.26 -1.69 118.70 120.02 2gqh s GLU 30 Ca -0.08 -0.75 0.05 0.00 0.36 0.00 0.00 54.97 54.55 2gqh s GLU 30 Cb -0.01 -2.42 -0.04 0.00 0.26 0.00 0.00 34.13 31.92 2gqh s GLU 30 CO 0.07 0.37 0.07 -0.51 -0.54 0.00 0.00 175.26 174.73 2gqh s LEU 31 N -0.09 3.62 0.62 2.70 1.43 -1.21 -2.63 118.68 123.12 2gqh s LEU 31 Ca -0.03 -0.18 0.28 0.00 -1.03 0.00 0.00 54.13 53.17 2gqh s LEU 31 Cb -0.14 -2.28 1.49 0.00 0.03 0.00 0.00 46.19 45.30 2gqh s LEU 31 CO 0.04 0.11 1.88 -1.28 0.23 0.00 0.00 176.35 177.33 2gqh h SER 32 N 2.83 0.00 -4.35 2.29 0.87 -1.84 -3.43 113.55 109.91 2gqh h SER 32 Ca -0.47 0.00 0.09 0.00 -1.23 0.00 0.00 61.79 60.18 2gqh h SER 32 Cb 1.19 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 62.95 2gqh h SER 32 CO 0.62 0.00 0.52 -1.59 -0.53 0.00 0.00 176.83 175.85 2gqh s LYS 33 N -4.40 0.69 -0.00 2.24 -2.85 -1.26 -5.01 119.74 109.14 2gqh s LYS 33 Ca -0.04 -0.01 -0.35 0.00 -1.00 0.00 0.00 55.97 54.56 2gqh s LYS 33 Cb 0.13 0.32 -0.14 0.00 -2.06 0.00 0.00 37.83 36.08 2gqh s LYS 33 CO 0.43 -0.25 1.66 0.00 0.10 0.00 0.00 175.35 177.29 2gqh n ALA 34 N 0.37 0.54 -3.50 0.59 0.00 -1.26 -4.82 120.51 112.42 2gqh n ALA 34 Ca -0.10 0.40 -0.16 0.00 0.00 0.00 0.00 53.44 53.58 2gqh n ALA 34 Cb 0.59 -2.33 -0.05 0.00 0.00 0.00 0.00 19.45 17.66 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 2.30 -1.75 0.07 0.00 0.00 -1.26 -4.97 121.76 116.16 2gqh s ALA 35 Ca 0.87 1.17 -0.31 0.00 0.00 0.00 0.00 51.96 53.70 2gqh s ALA 35 Cb -0.79 0.14 -0.07 0.00 0.00 0.00 0.00 23.12 22.39 2gqh s ALA 35 CO 0.48 -0.45 1.39 -1.25 0.00 0.00 0.00 175.76 175.94 2gqh s PRO 36 N -1.71 4.31 0.33 0.00 0.04 -1.26 -5.01 135.00 131.69 2gqh s PRO 36 Ca -0.08 2.03 0.07 0.00 0.04 0.00 0.00 61.00 63.06 2gqh s PRO 36 Cb -0.00 -3.38 -0.06 0.00 0.04 0.00 0.00 34.50 31.09 2gqh s PRO 36 CO 0.05 -0.49 -0.03 0.14 0.04 0.00 0.00 177.00 176.72 2gqh s VAL 37 N 1.61 1.73 -0.14 -0.36 -7.23 -1.26 -4.61 120.40 110.14 2gqh s VAL 37 Ca 0.64 -2.09 -0.04 0.00 -1.81 0.00 0.00 61.98 58.69 2gqh s VAL 37 Cb -0.35 -2.67 0.06 0.00 0.56 0.00 0.00 36.38 33.99 2gqh s VAL 37 CO 0.29 -0.16 0.15 -0.70 -0.31 0.00 0.00 175.10 174.37 2gqh s GLU 38 N -3.74 0.07 0.38 4.82 2.12 -0.26 -5.00 118.70 117.10 2gqh s GLU 38 Ca 0.33 0.27 -0.24 0.00 0.36 0.00 0.00 54.97 55.68 2gqh s GLU 38 Cb 0.06 -0.97 -0.09 0.00 0.26 0.00 0.00 34.13 33.38 2gqh s GLU 38 CO 0.15 -0.50 1.03 -1.58 -0.54 0.00 0.00 175.26 173.81 2gqh s TRP 39 N 2.25 3.35 -0.02 5.30 0.52 -1.26 -2.69 118.94 126.39 2gqh s TRP 39 Ca 0.04 1.67 -0.06 0.00 0.02 0.00 0.00 56.10 57.77 2gqh s TRP 39 Cb -0.14 -3.09 0.00 0.00 -1.15 0.00 0.00 33.47 29.10 2gqh s TRP 39 CO -0.08 -0.46 0.13 1.03 0.02 0.00 0.00 176.95 177.59 2gqh s ARG 40 N -2.41 0.34 -0.28 4.98 0.52 0.10 -2.90 118.95 119.31 2gqh s ARG 40 Ca 0.56 -0.17 -0.06 0.00 -0.52 0.00 0.00 55.73 55.54 2gqh s ARG 40 Cb -0.21 0.15 0.01 0.00 0.52 0.00 0.00 34.95 35.41 2gqh s ARG 40 CO 0.27 -0.07 0.04 0.21 0.02 0.00 0.00 175.30 175.77 2gqh s LYS 41 N -0.80 3.11 2.33 3.54 2.36 -1.05 -0.45 119.74 128.79 2gqh s LYS 41 Ca -0.09 -0.83 0.00 0.00 -2.55 0.00 0.00 55.97 52.50 2gqh s LYS 41 Cb -0.05 -3.27 0.00 0.00 -1.05 0.00 0.00 37.83 33.46 2gqh s LYS 41 CO 0.01 -0.40 0.00 0.41 1.55 0.00 0.00 175.35 176.92 2gqh n GLY 42 N 4.83 1.59 2.24 5.54 0.00 -1.13 -0.02 105.19 118.24 2gqh n GLY 42 Ca -0.15 0.54 -0.30 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 6.23 -4.17 0.99 4.32 -1.26 -4.98 117.00 118.13 2gqh n LEU 43 Ca 0.00 -4.61 -0.12 0.00 -0.02 0.00 0.00 56.01 51.26 2gqh n LEU 43 Cb 0.00 -0.66 -0.09 0.00 -1.62 0.00 0.00 43.42 41.05 2gqh n LEU 43 CO 0.00 1.84 -0.15 -0.70 -1.22 0.00 0.00 177.39 177.15 2gqh s GLU 44 N -3.72 1.31 -0.08 3.23 2.12 0.96 -5.16 118.70 117.36 2gqh s GLU 44 Ca 0.57 -1.59 0.03 0.00 0.36 0.00 0.00 54.97 54.33 2gqh s GLU 44 Cb 0.45 0.31 -0.02 0.00 0.26 0.00 0.00 34.13 35.14 2gqh s GLU 44 CO -0.03 -0.46 -0.18 0.00 -0.54 0.00 0.00 175.26 174.05 2gqh s ALA 45 N -4.06 2.47 0.04 6.30 0.00 -1.26 -2.52 121.76 122.73 2gqh s ALA 45 Ca 0.36 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.35 2gqh s ALA 45 Cb 0.05 -0.94 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 2gqh s ALA 45 CO 0.13 0.41 0.12 -0.51 0.00 0.00 0.00 175.76 175.91 2gqh s LEU 46 N -0.19 4.03 0.13 0.00 1.43 -1.14 -4.89 118.68 118.05 2gqh s LEU 46 Ca -0.01 0.14 0.05 0.00 -1.03 0.00 0.00 54.13 53.28 2gqh s LEU 46 Cb -0.13 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 2gqh s LEU 46 CO 0.03 0.21 -0.11 0.00 0.23 0.00 0.00 176.35 176.71 2gqh s ARG 47 N -2.20 1.02 0.10 1.70 1.70 -1.26 -4.70 118.95 115.31 2gqh s ARG 47 Ca 0.29 -1.35 -0.13 0.00 -0.47 0.00 0.00 55.73 54.06 2gqh s ARG 47 Cb -0.12 -0.67 -0.06 0.00 -0.57 0.00 0.00 34.95 33.52 2gqh s ARG 47 CO 0.21 0.10 0.49 0.16 -1.08 0.00 0.00 175.30 175.18 2gqh s ASP 48 N -2.89 6.78 0.00 -2.89 1.47 -1.26 -4.21 116.67 113.67 2gqh s ASP 48 Ca 0.13 0.99 0.00 0.00 1.18 0.00 0.00 52.55 54.85 2gqh s ASP 48 Cb -0.00 -2.25 0.00 0.00 -0.34 0.00 0.00 42.92 40.32 2gqh s ASP 48 CO 0.01 0.16 0.00 0.61 0.68 0.00 0.00 175.17 176.63 2gqh n GLY 49 N 1.01 -1.50 0.73 2.12 0.00 -1.07 -4.99 105.19 101.50 2gqh n GLY 49 Ca -0.07 0.55 -0.04 0.00 0.00 0.00 0.00 46.02 46.46 2gqh n GLY 49 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gqh n ASP 50 N 0.00 0.90 0.38 1.61 8.00 -1.26 -4.81 116.55 121.36 2gqh n ASP 50 Ca 0.00 0.03 -0.19 0.00 0.71 0.00 0.00 54.79 55.34 2gqh n ASP 50 Cb 0.00 -0.10 -0.10 0.00 -0.02 0.00 0.00 41.12 40.91 2gqh n ASP 50 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2gqh h LYS 51 N -0.11 -1.05 -6.47 -1.24 1.63 -1.94 -3.44 116.57 103.95 2gqh h LYS 51 Ca -0.09 0.07 -0.64 0.00 -0.85 0.00 0.00 60.65 59.14 2gqh h LYS 51 Cb 1.09 0.24 -0.14 0.00 -0.60 0.00 0.00 32.23 32.82 2gqh h LYS 51 CO -0.05 -0.70 -0.72 0.71 -3.45 0.00 0.00 179.45 175.24 2gqh s TYR 52 N -5.95 2.74 -0.17 1.91 2.02 -1.26 -3.45 117.35 113.19 2gqh s TYR 52 Ca -0.18 -0.17 0.01 0.00 -0.37 0.00 0.00 57.07 56.35 2gqh s TYR 52 Cb 0.04 -1.38 0.03 0.00 -0.40 0.00 0.00 41.96 40.25 2gqh s TYR 52 CO 0.61 0.47 -0.12 -1.12 -1.57 0.00 0.00 175.55 173.82 2gqh s SER 53 N -2.55 3.03 -0.26 2.29 0.01 0.20 -2.60 113.70 113.82 2gqh s SER 53 Ca 0.24 -0.68 -0.08 0.00 1.31 0.00 0.00 55.95 56.73 2gqh s SER 53 Cb -0.10 -1.20 -0.03 0.00 0.21 0.00 0.00 66.02 64.90 2gqh s SER 53 CO 0.15 -0.10 0.11 -0.76 0.41 0.00 0.00 173.24 173.05 2gqh s LEU 54 N 1.45 3.66 -0.47 2.44 2.01 -1.26 0.43 118.68 126.93 2gqh s LEU 54 Ca 0.02 -0.21 0.03 0.00 0.01 0.00 0.00 54.13 53.98 2gqh s LEU 54 Cb -0.14 -1.98 0.14 0.00 0.01 0.00 0.00 46.19 44.22 2gqh s LEU 54 CO -0.09 -0.06 0.28 -0.60 1.01 0.00 0.00 176.35 176.88 2gqh s ARG 55 N 1.65 1.42 0.05 1.70 6.06 -0.83 -5.01 118.95 123.98 2gqh s ARG 55 Ca 0.06 -2.20 0.03 0.00 -2.50 0.00 0.00 55.73 51.13 2gqh s ARG 55 Cb -0.16 -2.41 -0.04 0.00 0.06 0.00 0.00 34.95 32.40 2gqh s ARG 55 CO 0.06 -1.20 0.00 1.14 -2.50 0.00 0.00 175.30 172.80 2gqh s GLN 56 N 0.09 2.67 -0.65 5.12 -2.07 -1.26 -3.26 119.66 120.29 2gqh s GLN 56 Ca 0.20 -0.73 0.05 0.00 -1.82 0.00 0.00 55.36 53.05 2gqh s GLN 56 Cb -0.19 -2.60 0.16 0.00 -1.09 0.00 0.00 33.01 29.28 2gqh s GLN 56 CO -0.04 0.58 0.43 0.34 -1.32 0.00 0.00 175.29 175.28 2gqh s ASP 57 N -1.98 4.64 0.19 12.60 -1.08 0.13 -4.97 116.67 126.20 2gqh s ASP 57 Ca 0.23 -3.63 0.00 0.00 -0.52 0.00 0.00 52.55 48.64 2gqh s ASP 57 Cb -0.12 -1.61 0.00 0.00 -1.46 0.00 0.00 42.92 39.73 2gqh s ASP 57 CO 0.15 -0.12 0.00 0.61 0.52 0.00 0.00 175.17 176.33 2gqh n GLY 58 N 2.28 1.70 0.12 2.66 0.00 -1.26 -3.04 105.19 107.65 2gqh n GLY 58 Ca 0.16 0.09 -0.18 0.00 0.00 0.00 0.00 46.02 46.09 2gqh n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gqh h ALA 59 N -0.24 0.42 -2.48 4.61 0.00 -1.91 -3.35 119.26 116.31 2gqh h ALA 59 Ca 0.00 -1.30 -0.53 0.00 0.00 0.00 0.00 54.91 53.07 2gqh h ALA 59 Cb 0.00 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2gqh h ALA 59 CO 0.00 1.28 0.53 0.08 0.00 0.00 0.00 179.25 181.14 2gqh s VAL 60 N -2.58 4.16 0.03 0.00 1.01 -1.17 -3.32 120.40 118.52 2gqh s VAL 60 Ca -0.15 1.56 0.09 0.00 0.00 0.00 0.00 61.98 63.48 2gqh s VAL 60 Cb 0.07 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 2gqh s VAL 60 CO 0.81 0.13 -0.26 0.00 0.00 0.00 0.00 175.10 175.78 2gqh s GLU 62 N -1.05 0.22 -0.06 0.00 2.12 -1.20 -2.15 118.70 116.58 2gqh s GLU 62 Ca 0.11 -0.29 0.03 0.00 0.36 0.00 0.00 54.97 55.18 2gqh s GLU 62 Cb -0.10 -0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.22 2gqh s GLU 62 CO 0.01 0.01 -0.16 -1.17 -0.54 0.00 0.00 175.26 173.41 2gqh s LEU 63 N -0.61 1.83 -0.13 2.70 2.96 -1.17 -1.96 118.68 122.30 2gqh s LEU 63 Ca -0.05 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.51 2gqh s LEU 63 Cb -0.04 -0.98 -0.00 0.00 0.50 0.00 0.00 46.19 45.67 2gqh s LEU 63 CO -0.00 0.10 -0.17 -1.10 -1.32 0.00 0.00 176.35 173.85 2gqh s GLN 64 N 0.36 3.20 -0.20 1.98 -0.21 0.17 -1.61 119.66 123.34 2gqh s GLN 64 Ca -0.11 -0.78 -0.02 0.00 0.02 0.00 0.00 55.36 54.47 2gqh s GLN 64 Cb -0.14 -2.53 0.00 0.00 1.00 0.00 0.00 33.01 31.34 2gqh s GLN 64 CO 0.04 0.10 -0.10 0.42 -2.12 0.00 0.00 175.29 173.62 2gqh s ILE 65 N 0.60 2.89 -0.05 1.08 1.01 -1.20 -0.63 121.20 124.89 2gqh s ILE 65 Ca -0.10 -0.66 -0.15 0.00 0.00 0.00 0.00 60.65 59.74 2gqh s ILE 65 Cb -0.16 -2.28 -0.05 0.00 0.01 0.00 0.00 42.46 39.98 2gqh s ILE 65 CO 0.03 0.47 0.38 -1.00 0.00 0.00 0.00 174.94 174.82 2gqh s HIS 66 N 1.38 3.64 -0.16 3.97 3.76 -1.22 -2.84 115.29 123.82 2gqh s HIS 66 Ca 0.05 0.88 -0.04 0.00 -0.15 0.00 0.00 55.06 55.80 2gqh s HIS 66 Cb -0.14 -2.32 0.00 0.00 1.11 0.00 0.00 32.58 31.24 2gqh s HIS 66 CO -0.07 0.50 0.15 0.41 -0.85 0.00 0.00 174.74 174.88 2gqh n GLY 67 N 2.33 -1.94 3.85 -2.22 0.00 -1.25 -4.99 105.19 100.97 2gqh n GLY 67 Ca -0.13 0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.26 4.20 0.00 0.99 1.43 -1.17 -4.85 118.68 118.03 2gqh s LEU 68 Ca 0.06 1.14 -0.14 0.00 -1.03 0.00 0.00 54.13 54.16 2gqh s LEU 68 Cb -0.02 -3.69 0.05 0.00 0.03 0.00 0.00 46.19 42.57 2gqh s LEU 68 CO 0.32 -0.05 0.74 0.00 0.23 0.00 0.00 176.35 177.58 2gqh n ALA 69 N 0.15 -1.73 0.24 4.21 0.00 -1.26 -0.41 120.51 121.71 2gqh n ALA 69 Ca -0.00 -1.05 -0.16 0.00 0.00 0.00 0.00 53.44 52.23 2gqh n ALA 69 Cb 0.52 0.79 -0.08 0.00 0.00 0.00 0.00 19.45 20.68 2gqh n ALA 69 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2gqh h MET 70 N 0.00 -0.58 -1.10 0.00 2.86 -1.91 -2.02 114.93 112.18 2gqh h MET 70 Ca -0.28 0.04 0.32 0.00 -2.06 0.00 0.00 59.70 57.72 2gqh h MET 70 Cb 1.07 0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.82 2gqh h MET 70 CO 0.36 -0.39 0.85 0.00 1.06 0.00 0.00 176.91 178.79 2gqh h ALA 71 N -0.03 3.00 -0.58 6.32 0.00 -1.97 0.54 119.26 126.54 2gqh h ALA 71 Ca -0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2gqh h ALA 71 Cb 0.49 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2gqh h ALA 71 CO 0.06 -1.41 0.36 0.22 0.00 0.00 0.00 179.25 178.47 2gqh h ASP 72 N 0.00 0.69 -1.38 0.00 3.58 -1.76 -3.43 116.42 114.12 2gqh h ASP 72 Ca 0.52 -0.03 -0.73 0.00 0.42 0.00 0.00 57.03 57.20 2gqh h ASP 72 Cb 2.21 -0.17 0.05 0.00 1.72 0.00 0.00 39.33 43.14 2gqh h ASP 72 CO -0.01 0.53 0.34 0.59 -2.88 0.00 0.00 179.24 177.81 2gqh n ASN 73 N -4.42 1.03 0.00 2.28 3.02 0.19 -4.88 115.26 112.48 2gqh n ASN 73 Ca 0.06 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.74 2gqh n ASN 73 Cb 0.07 -1.07 0.00 0.00 -0.61 0.00 0.00 39.78 38.17 2gqh n ASN 73 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gqh n GLY 74 N 2.29 3.09 3.62 7.41 0.00 -1.26 -5.08 105.19 115.27 2gqh n GLY 74 Ca 0.20 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.00 4.55 0.59 1.61 0.11 -1.26 -3.87 120.40 120.13 2gqh s VAL 75 Ca 0.00 1.42 -0.07 0.00 -2.93 0.00 0.00 61.98 60.40 2gqh s VAL 75 Cb 0.00 -4.37 -0.00 0.00 -1.53 0.00 0.00 36.38 30.48 2gqh s VAL 75 CO 0.00 -0.52 0.92 -0.31 -3.33 0.00 0.00 175.10 171.86 2gqh s TYR 76 N 3.56 3.35 0.02 1.54 1.51 -0.88 -2.85 117.35 123.60 2gqh s TYR 76 Ca 0.41 0.78 0.01 0.00 -1.01 0.00 0.00 57.07 57.27 2gqh s TYR 76 Cb -0.12 -2.71 -0.02 0.00 -0.11 0.00 0.00 41.96 39.01 2gqh s TYR 76 CO 0.18 -0.77 -0.06 -1.54 -1.11 0.00 0.00 175.55 172.25 2gqh s SER 77 N -4.27 0.61 -0.40 2.29 1.04 0.40 -2.36 113.70 111.02 2gqh s SER 77 Ca 0.53 -0.37 0.02 0.00 0.48 0.00 0.00 55.95 56.61 2gqh s SER 77 Cb -0.11 0.02 0.12 0.00 0.10 0.00 0.00 66.02 66.15 2gqh s SER 77 CO 0.47 -0.13 0.19 0.00 0.98 0.00 0.00 173.24 174.74 2gqh s VAL 79 N 0.70 5.04 -0.05 0.00 1.01 -1.10 -2.79 120.40 123.22 2gqh s VAL 79 Ca 0.15 1.29 -0.05 0.00 0.00 0.00 0.00 61.98 63.37 2gqh s VAL 79 Cb -0.22 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 2gqh s VAL 79 CO -0.07 0.18 -0.09 0.00 0.00 0.00 0.00 175.10 175.12 2gqh n GLY 81 N 1.51 0.04 0.00 0.00 0.00 -1.26 -4.60 105.19 100.88 2gqh n GLY 81 Ca -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2gqh n GLY 81 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2gqh n GLN 82 N -1.67 1.67 -4.28 1.61 -0.06 -1.26 -5.05 117.38 108.34 2gqh n GLN 82 Ca 0.00 0.00 -0.15 0.00 -2.00 0.00 0.00 57.00 54.85 2gqh n GLN 82 Cb 0.00 -0.90 -0.10 0.00 -4.06 0.00 0.00 30.24 25.18 2gqh n GLN 82 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 2gqh s GLU 83 N -1.63 1.29 0.31 3.69 2.02 -1.26 -5.09 118.70 118.03 2gqh s GLU 83 Ca 0.00 -1.68 -0.07 0.00 0.02 0.00 0.00 54.97 53.24 2gqh s GLU 83 Cb 0.00 -0.17 0.00 0.00 0.10 0.00 0.00 34.13 34.06 2gqh s GLU 83 CO 0.00 -0.27 0.49 -0.98 0.02 0.00 0.00 175.26 174.53 2gqh s ARG 84 N -4.02 1.79 -0.10 1.61 3.03 -1.26 -2.29 118.95 117.70 2gqh s ARG 84 Ca 0.34 -1.54 -0.08 0.00 2.03 0.00 0.00 55.73 56.49 2gqh s ARG 84 Cb 0.07 0.46 0.03 0.00 -1.03 0.00 0.00 34.95 34.49 2gqh s ARG 84 CO 0.11 -0.75 0.25 -0.08 -1.13 0.00 0.00 175.30 173.70 2gqh s THR 85 N -3.36 -0.01 -0.02 4.99 -1.32 -1.12 -4.91 115.64 109.88 2gqh s THR 85 Ca 0.26 0.05 0.05 0.00 -1.21 0.00 0.00 61.69 60.85 2gqh s THR 85 Cb -0.01 -0.37 -0.03 0.00 -1.51 0.00 0.00 72.50 70.59 2gqh s THR 85 CO 0.15 0.02 -0.18 -0.94 -2.21 0.00 0.00 174.62 171.46 2gqh s SER 86 N 0.56 3.75 0.26 8.08 1.04 -1.26 -1.28 113.70 124.86 2gqh s SER 86 Ca -0.04 -0.31 0.02 0.00 0.48 0.00 0.00 55.95 56.10 2gqh s SER 86 Cb -0.05 -0.67 -0.05 0.00 0.10 0.00 0.00 66.02 65.34 2gqh s SER 86 CO -0.03 0.32 0.09 0.00 0.98 0.00 0.00 173.24 174.59 2gqh s ALA 87 N -0.75 1.80 -0.11 5.32 0.00 -0.99 -4.84 121.76 122.19 2gqh s ALA 87 Ca 0.12 -1.88 0.02 0.00 0.00 0.00 0.00 51.96 50.22 2gqh s ALA 87 Cb -0.10 0.97 -0.01 0.00 0.00 0.00 0.00 23.12 23.98 2gqh s ALA 87 CO 0.01 -0.43 -0.19 0.99 0.00 0.00 0.00 175.76 176.14 2gqh s THR 88 N -3.68 2.48 -0.21 0.00 2.01 -1.26 -2.08 115.64 112.90 2gqh s THR 88 Ca 0.37 -0.87 0.00 0.00 0.31 0.00 0.00 61.69 61.50 2gqh s THR 88 Cb 0.08 -1.99 0.02 0.00 0.01 0.00 0.00 72.50 70.62 2gqh s THR 88 CO 0.14 0.55 -0.15 -0.22 -0.69 0.00 0.00 174.62 174.24 2gqh s LEU 89 N 0.32 2.55 -0.26 4.42 2.96 -1.25 -2.09 118.68 125.34 2gqh s LEU 89 Ca -0.15 -0.75 -0.10 0.00 -0.22 0.00 0.00 54.13 52.91 2gqh s LEU 89 Cb -0.17 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 44.93 2gqh s LEU 89 CO 0.07 -0.05 0.16 -0.89 -1.32 0.00 0.00 176.35 174.33 2gqh s THR 90 N 1.29 5.17 -0.20 3.68 2.01 -1.06 -3.98 115.64 122.54 2gqh s THR 90 Ca 0.03 0.12 -0.04 0.00 0.31 0.00 0.00 61.69 62.10 2gqh s THR 90 Cb -0.15 -3.43 -0.02 0.00 0.01 0.00 0.00 72.50 68.92 2gqh s THR 90 CO -0.10 0.30 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.41 2gqh s VAL 91 N 1.44 3.57 0.41 3.82 1.01 -1.26 -1.23 120.40 128.17 2gqh s VAL 91 Ca 0.07 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 2gqh s VAL 91 Cb -0.15 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 2gqh s VAL 91 CO 0.07 0.43 0.66 -0.13 0.00 0.00 0.00 175.10 176.14 2gqh s ARG 92 N 1.20 3.49 -0.07 2.72 1.81 -0.36 -4.75 118.95 122.98 2gqh s ARG 92 Ca 0.03 -0.11 -0.05 0.00 -1.72 0.00 0.00 55.73 53.88 2gqh s ARG 92 Cb -0.14 -2.53 -0.04 0.00 -0.45 0.00 0.00 34.95 31.79 2gqh s ARG 92 CO -0.00 -0.03 0.13 0.00 -0.68 0.00 0.00 175.30 174.72 2gqh s ALA 93 N -2.52 3.79 0.35 2.13 0.00 -1.26 0.15 121.76 124.41 2gqh s ALA 93 Ca 0.44 -0.72 -0.26 0.00 0.00 0.00 0.00 51.96 51.42 2gqh s ALA 93 Cb -0.10 -1.84 -0.09 0.00 0.00 0.00 0.00 23.12 21.09 2gqh s ALA 93 CO 0.40 0.66 1.03 -0.51 0.00 0.00 0.00 175.76 177.34 2gqh s LEU 94 N -1.32 4.28 -0.43 0.00 1.43 -1.26 -4.85 118.68 116.53 2gqh s LEU 94 Ca 0.19 2.04 -0.28 0.00 -1.03 0.00 0.00 54.13 55.05 2gqh s LEU 94 Cb -0.12 -4.02 -0.01 0.00 0.03 0.00 0.00 46.19 42.07 2gqh s LEU 94 CO 0.09 -0.31 1.75 -2.16 0.23 0.00 0.00 176.35 175.94 2gqh s PRO 95 N -2.15 3.17 -1.09 1.29 0.04 -1.26 -4.93 135.00 130.07 2gqh s PRO 95 Ca 0.53 1.10 -0.22 0.00 0.04 0.00 0.00 61.00 62.45 2gqh s PRO 95 Cb -0.23 -4.22 0.05 0.00 0.04 0.00 0.00 34.50 30.13 2gqh s PRO 95 CO 0.30 -2.07 1.56 0.00 0.04 0.00 0.00 177.00 176.83 2gqh s ALA 96 N 7.29 2.79 0.08 8.56 0.00 -1.26 -4.96 121.76 134.26 2gqh s ALA 96 Ca 0.73 -2.38 0.08 0.00 0.00 0.00 0.00 51.96 50.38 2gqh s ALA 96 Cb -0.18 -4.57 -0.04 0.00 0.00 0.00 0.00 23.12 18.34 2gqh s ALA 96 CO 0.30 -3.64 -0.19 1.03 0.00 0.00 0.00 175.76 173.26 2gqh s ARG 97 N 4.93 1.90 0.06 0.00 0.52 -1.26 -5.14 118.95 119.97 2gqh s ARG 97 Ca 0.50 -1.09 0.03 0.00 -0.52 0.00 0.00 55.73 54.65 2gqh s ARG 97 Cb 0.01 -2.14 -0.04 0.00 0.52 0.00 0.00 34.95 33.30 2gqh s ARG 97 CO -0.04 0.51 0.04 -0.59 0.02 0.00 0.00 175.30 175.23 2gqh s PHE 98 N -1.03 3.11 -0.43 -0.53 -0.71 -1.26 -5.02 117.98 112.12 2gqh s PHE 98 Ca 0.16 0.06 -0.42 0.00 -1.04 0.00 0.00 56.93 55.69 2gqh s PHE 98 Cb -0.10 -1.62 -0.17 0.00 -1.21 0.00 0.00 43.02 39.92 2gqh s PHE 98 CO 0.07 0.50 2.01 -0.89 -1.34 0.00 0.00 175.22 175.58 2gqh n ILE 99 N 0.76 0.10 -4.11 -4.49 5.41 -1.26 -4.92 119.36 110.84 2gqh n ILE 99 Ca -0.11 -0.08 -0.26 0.00 1.00 0.00 0.00 62.75 63.30 2gqh n ILE 99 Cb 0.52 -0.92 -0.05 0.00 -0.71 0.00 0.00 39.64 38.48 2gqh n ILE 99 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2gqh s GLU 100 N 5.25 2.25 -0.02 0.38 -1.05 -1.26 -5.15 118.70 119.10 2gqh s GLU 100 Ca 1.12 -1.96 -0.00 0.00 -0.15 0.00 0.00 54.97 53.98 2gqh s GLU 100 Cb -1.26 -1.98 0.03 0.00 -0.44 0.00 0.00 34.13 30.48 2gqh s GLU 100 CO 0.64 -0.31 0.03 -0.51 0.95 0.00 0.00 175.26 176.06 2gqh s ASP 101 N -4.03 0.07 -0.01 0.83 1.01 -1.26 -5.15 116.67 108.13 2gqh s ASP 101 Ca 0.34 0.04 0.01 0.00 0.71 0.00 0.00 52.55 53.65 2gqh s ASP 101 Cb 0.01 -0.06 0.00 0.00 1.01 0.00 0.00 42.92 43.88 2gqh s ASP 101 CO 0.20 -0.12 -0.01 -0.94 0.21 0.00 0.00 175.17 174.50 2gqh s SER 102 N 1.04 0.23 0.00 0.27 1.04 -1.26 -5.14 113.70 109.87 2gqh s SER 102 Ca -0.09 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.32 2gqh s SER 102 Cb -0.12 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 65.94 2gqh s SER 102 CO -0.03 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.80 2gqh n GLY 103 N 3.27 2.99 0.06 7.32 0.00 -1.26 -5.05 105.19 112.53 2gqh n GLY 103 Ca -0.15 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 2gqh n GLY 103 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gqh h PRO 104 N 0.00 -0.03 -5.53 1.61 0.13 -2.07 -3.46 132.00 122.65 2gqh h PRO 104 Ca 0.00 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.66 2gqh h PRO 104 Cb 0.00 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 30.99 2gqh h PRO 104 CO 0.00 0.46 -0.71 0.45 -0.23 0.00 0.00 178.00 177.97 2gqh s SER 105 N -5.66 2.63 0.29 1.44 0.15 -1.26 -5.03 113.70 106.26 2gqh s SER 105 Ca -0.16 -1.10 0.03 0.00 0.70 0.00 0.00 55.95 55.43 2gqh s SER 105 Cb 0.02 -0.15 0.73 0.00 -1.71 0.00 0.00 66.02 64.91 2gqh s SER 105 CO 0.66 -0.25 1.68 0.77 1.20 0.00 0.00 173.24 177.30 2gqh h SER 106 N 2.44 0.22 0.00 5.45 4.64 -2.02 -3.53 113.55 120.75 2gqh h SER 106 Ca -0.39 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 2gqh h SER 106 Cb 1.23 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 2gqh h SER 106 CO 0.64 -0.06 0.00 0.61 -0.87 0.00 0.00 176.83 177.15