#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 5.01 -0.32 1.61 0.01 -1.26 -4.96 113.70 113.80 2gqh s SER 2 Ca 0.00 -1.37 0.08 0.00 1.31 0.00 0.00 55.95 55.97 2gqh s SER 2 Cb 0.00 -1.75 0.46 0.00 0.21 0.00 0.00 66.02 64.93 2gqh s SER 2 CO 0.00 -0.31 1.16 -1.20 0.41 0.00 0.00 173.24 173.30 2gqh n SER 3 N 4.64 4.56 0.00 2.44 7.64 -1.26 -4.97 113.62 126.68 2gqh n SER 3 Ca -0.11 -3.59 0.00 0.00 1.01 0.00 0.00 58.87 56.18 2gqh n SER 3 Cb 0.43 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 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 -0.65 1.83 3.57 0.23 0.00 -1.26 -5.10 105.19 103.81 2gqh n GLY 4 Ca 0.40 0.06 -0.42 0.00 0.00 0.00 0.00 46.02 46.06 2gqh n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gqh s SER 5 N 1.62 6.40 -0.28 1.61 0.15 -1.26 -5.02 113.70 116.93 2gqh s SER 5 Ca 0.00 0.09 -0.21 0.00 0.70 0.00 0.00 55.95 56.53 2gqh s SER 5 Cb 0.00 -2.32 0.09 0.00 -1.71 0.00 0.00 66.02 62.08 2gqh s SER 5 CO 0.00 -0.59 0.77 -0.94 1.20 0.00 0.00 173.24 173.69 2gqh s SER 6 N 1.80 -0.76 0.00 5.45 1.04 -1.26 -5.10 113.70 114.86 2gqh s SER 6 Ca 0.23 1.34 0.00 0.00 0.48 0.00 0.00 55.95 58.01 2gqh s SER 6 Cb -0.15 1.34 0.00 0.00 0.10 0.00 0.00 66.02 67.32 2gqh s SER 6 CO 0.15 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.75 2gqh n GLY 7 N 3.30 1.76 3.50 7.32 0.00 -1.26 -5.17 105.19 114.64 2gqh n GLY 7 Ca -0.16 0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 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 2.72 0.53 4.61 0.00 -1.26 -4.98 121.76 123.37 2gqh s ALA 8 Ca 0.00 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 50.92 2gqh s ALA 8 Cb 0.00 -0.90 0.04 0.00 0.00 0.00 0.00 23.12 22.26 2gqh s ALA 8 CO 0.00 0.58 0.35 2.89 0.00 0.00 0.00 175.76 179.58 2gqh n ARG 9 N 1.79 0.72 -3.30 0.00 0.00 -1.26 -4.83 116.66 109.78 2gqh n ARG 9 Ca -0.16 -3.35 -0.45 0.00 -0.00 0.00 0.00 57.85 53.89 2gqh n ARG 9 Cb 0.52 0.43 -0.07 0.00 -0.00 0.00 0.00 32.46 33.34 2gqh n ARG 9 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2gqh s PHE 10 N -2.65 3.18 0.30 2.89 0.08 -1.26 -1.05 117.98 119.47 2gqh s PHE 10 Ca 0.27 -0.92 0.01 0.00 0.12 0.00 0.00 56.93 56.41 2gqh s PHE 10 Cb -0.02 -3.45 0.48 0.00 -0.57 0.00 0.00 43.02 39.47 2gqh s PHE 10 CO 0.17 -0.94 1.84 1.79 -0.10 0.00 0.00 175.22 177.98 2gqh h THR 11 N 5.82 1.22 0.00 0.64 1.35 -1.72 -3.38 112.91 116.84 2gqh h THR 11 Ca -0.29 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.73 2gqh h THR 11 Cb 1.10 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 2gqh h THR 11 CO 0.95 0.30 -0.60 -0.62 -0.25 0.00 0.00 175.52 175.29 2gqh n GLU 12 N -4.26 0.49 0.00 4.72 -0.58 -1.24 -5.03 120.64 114.74 2gqh n GLU 12 Ca 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 2gqh n GLU 12 Cb 0.25 -0.80 0.00 0.00 -0.57 0.00 0.00 31.44 30.32 2gqh n GLU 12 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2gqh n GLY 13 N 2.56 -0.03 3.14 0.62 0.00 -1.26 -4.77 105.19 105.45 2gqh n GLY 13 Ca 0.00 -1.16 -0.33 0.00 0.00 0.00 0.00 46.02 44.53 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 2.42 0.38 0.99 1.43 -1.26 -3.82 118.68 118.81 2gqh s LEU 14 Ca 0.00 -0.71 -0.05 0.00 -1.03 0.00 0.00 54.13 52.34 2gqh s LEU 14 Cb 0.00 -1.53 -0.05 0.00 0.03 0.00 0.00 46.19 44.65 2gqh s LEU 14 CO 0.00 -0.03 0.66 -0.60 0.23 0.00 0.00 176.35 176.61 2gqh s ARG 15 N 1.30 3.60 0.21 1.70 6.06 -1.26 -4.70 118.95 125.86 2gqh s ARG 15 Ca 0.03 0.08 -0.32 0.00 -2.50 0.00 0.00 55.73 53.03 2gqh s ARG 15 Cb -0.14 -2.52 -0.14 0.00 0.06 0.00 0.00 34.95 32.20 2gqh s ARG 15 CO -0.11 0.03 1.30 0.09 -2.50 0.00 0.00 175.30 174.12 2gqh n ASN 16 N -1.57 2.18 -4.38 -2.12 3.02 -1.26 -4.83 115.26 106.30 2gqh n ASN 16 Ca -0.01 1.14 -0.28 0.00 -0.03 0.00 0.00 54.58 55.40 2gqh n ASN 16 Cb 0.55 -1.34 -0.13 0.00 -0.61 0.00 0.00 39.78 38.25 2gqh n ASN 16 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2gqh s GLU 17 N -0.42 1.38 -0.08 3.52 2.56 -1.13 -5.03 118.70 119.49 2gqh s GLU 17 Ca 0.70 -1.35 -0.04 0.00 0.00 0.00 0.00 54.97 54.28 2gqh s GLU 17 Cb -0.73 -1.82 0.04 0.00 2.00 0.00 0.00 34.13 33.63 2gqh s GLU 17 CO 0.51 0.42 0.18 -2.00 -0.56 0.00 0.00 175.26 173.81 2gqh s GLU 18 N -2.14 0.13 -0.02 4.30 2.12 -1.26 -2.38 118.70 119.44 2gqh s GLU 18 Ca 0.14 0.44 -0.12 0.00 0.36 0.00 0.00 54.97 55.79 2gqh s GLU 18 Cb -0.10 -0.16 0.02 0.00 0.26 0.00 0.00 34.13 34.15 2gqh s GLU 18 CO 0.06 -0.18 0.26 0.00 -0.54 0.00 0.00 175.26 174.87 2gqh s ALA 19 N 1.30 -0.66 1.10 6.30 0.00 -0.63 -4.96 121.76 124.21 2gqh s ALA 19 Ca -0.08 0.26 -0.13 0.00 0.00 0.00 0.00 51.96 52.01 2gqh s ALA 19 Cb -0.11 0.02 0.25 0.00 0.00 0.00 0.00 23.12 23.28 2gqh s ALA 19 CO -0.07 -0.23 1.05 -1.64 0.00 0.00 0.00 175.76 174.87 2gqh s MET 20 N -1.17 -0.40 0.09 0.00 -1.94 -1.26 -3.04 119.30 111.57 2gqh s MET 20 Ca -0.12 0.68 -0.30 0.00 -1.71 0.00 0.00 55.69 54.24 2gqh s MET 20 Cb -0.05 -1.63 -0.06 0.00 2.01 0.00 0.00 34.83 35.10 2gqh s MET 20 CO 0.03 -3.33 1.11 -2.00 -0.01 0.00 0.00 175.02 170.82 2gqh s GLU 21 N -4.68 4.52 0.00 2.03 2.12 0.16 -3.06 118.70 119.79 2gqh s GLU 21 Ca 0.67 1.67 0.00 0.00 0.36 0.00 0.00 54.97 57.67 2gqh s GLU 21 Cb -0.22 -3.35 0.00 0.00 0.26 0.00 0.00 34.13 30.82 2gqh s GLU 21 CO 0.62 -0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.66 2gqh n GLY 22 N 2.72 3.16 3.10 -1.50 0.00 0.31 -4.81 105.19 108.15 2gqh n GLY 22 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.18 -2.59 -3.69 4.61 0.00 -1.17 -3.32 120.51 113.17 2gqh n ALA 23 Ca 0.00 -1.43 -0.36 0.00 0.00 0.00 0.00 53.44 51.65 2gqh n ALA 23 Cb 0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 19.45 19.23 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 -2.89 3.22 0.52 0.00 2.01 -1.26 -1.77 115.64 115.46 2gqh s THR 24 Ca 0.62 -1.77 -0.21 0.00 0.31 0.00 0.00 61.69 60.64 2gqh s THR 24 Cb -0.05 -3.07 -0.06 0.00 0.01 0.00 0.00 72.50 69.33 2gqh s THR 24 CO 0.47 -0.46 1.16 0.00 -0.69 0.00 0.00 174.62 175.09 2gqh s ALA 25 N 1.19 2.78 -0.21 7.40 0.00 -1.20 -4.82 121.76 126.91 2gqh s ALA 25 Ca 0.03 0.91 -0.04 0.00 0.00 0.00 0.00 51.96 52.86 2gqh s ALA 25 Cb -0.21 -3.39 0.08 0.00 0.00 0.00 0.00 23.12 19.60 2gqh s ALA 25 CO -0.03 -0.80 0.15 0.99 0.00 0.00 0.00 175.76 176.07 2gqh s THR 26 N -1.65 -0.18 0.80 0.00 2.01 -1.26 -1.93 115.64 113.43 2gqh s THR 26 Ca 0.70 -0.28 -0.06 0.00 0.31 0.00 0.00 61.69 62.36 2gqh s THR 26 Cb -0.27 -0.71 0.17 0.00 0.01 0.00 0.00 72.50 71.70 2gqh s THR 26 CO 0.31 -0.35 1.09 0.18 -0.69 0.00 0.00 174.62 175.16 2gqh n LEU 27 N 5.29 0.00 -3.56 4.42 4.77 -0.41 -4.94 117.00 122.57 2gqh n LEU 27 Ca -0.06 -1.83 -0.13 0.00 -0.03 0.00 0.00 56.01 53.96 2gqh n LEU 27 Cb 0.48 -0.76 -0.06 0.00 -2.33 0.00 0.00 43.42 40.75 2gqh n LEU 27 CO 0.08 -1.14 0.63 -1.58 -1.33 0.00 0.00 177.39 174.05 2gqh s GLN 28 N -5.32 0.77 -0.28 3.23 0.74 -1.26 -3.63 119.66 113.91 2gqh s GLN 28 Ca 0.68 0.27 -0.20 0.00 0.05 0.00 0.00 55.36 56.16 2gqh s GLN 28 Cb -0.03 0.36 0.12 0.00 1.10 0.00 0.00 33.01 34.57 2gqh s GLN 28 CO 0.46 -0.22 0.94 0.00 -0.55 0.00 0.00 175.29 175.91 2gqh s GLU 30 N 0.88 3.33 0.32 0.00 2.12 -1.26 -1.44 118.70 122.65 2gqh s GLU 30 Ca -0.04 -0.45 0.08 0.00 0.36 0.00 0.00 54.97 54.92 2gqh s GLU 30 Cb -0.04 -2.99 -0.06 0.00 0.26 0.00 0.00 34.13 31.29 2gqh s GLU 30 CO -0.11 0.62 -0.08 -0.51 -0.54 0.00 0.00 175.26 174.64 2gqh s LEU 31 N -2.31 2.64 0.47 2.70 1.43 0.90 -2.12 118.68 122.39 2gqh s LEU 31 Ca 0.32 -1.20 0.21 0.00 -1.03 0.00 0.00 54.13 52.42 2gqh s LEU 31 Cb -0.13 -0.86 1.21 0.00 0.03 0.00 0.00 46.19 46.44 2gqh s LEU 31 CO 0.24 -0.26 1.93 -1.28 0.23 0.00 0.00 176.35 177.21 2gqh h SER 32 N 2.11 0.23 -3.60 2.29 0.87 -1.41 -3.44 113.55 110.61 2gqh h SER 32 Ca -0.41 0.02 0.11 0.00 -1.23 0.00 0.00 61.79 60.27 2gqh h SER 32 Cb 1.24 -0.03 -0.25 0.00 -0.44 0.00 0.00 62.40 62.92 2gqh h SER 32 CO 0.69 0.11 0.60 -1.59 -0.53 0.00 0.00 176.83 176.12 2gqh s LYS 33 N -5.24 0.46 -0.74 2.24 -2.85 -1.26 -4.98 119.74 107.36 2gqh s LYS 33 Ca -0.07 0.23 -0.30 0.00 -1.00 0.00 0.00 55.97 54.84 2gqh s LYS 33 Cb 0.21 0.22 -0.18 0.00 -2.06 0.00 0.00 37.83 36.01 2gqh s LYS 33 CO 0.76 -0.12 2.19 0.00 0.10 0.00 0.00 175.35 178.28 2gqh n ALA 34 N 1.14 0.23 -2.93 0.59 0.00 -1.26 -4.63 120.51 113.65 2gqh n ALA 34 Ca -0.09 -0.12 -0.11 0.00 0.00 0.00 0.00 53.44 53.12 2gqh n ALA 34 Cb 0.57 -1.91 -0.12 0.00 0.00 0.00 0.00 19.45 18.00 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 7.00 0.25 0.27 0.00 0.00 -1.26 -4.85 121.76 123.17 2gqh s ALA 35 Ca 1.13 -0.57 -0.29 0.00 0.00 0.00 0.00 51.96 52.23 2gqh s ALA 35 Cb -1.15 0.10 -0.10 0.00 0.00 0.00 0.00 23.12 21.97 2gqh s ALA 35 CO 0.47 -0.10 1.25 -1.25 0.00 0.00 0.00 175.76 176.13 2gqh s PRO 36 N -1.30 4.44 0.34 0.00 0.04 -1.26 -4.98 135.00 132.28 2gqh s PRO 36 Ca -0.12 2.05 0.05 0.00 0.04 0.00 0.00 61.00 63.02 2gqh s PRO 36 Cb -0.09 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.28 2gqh s PRO 36 CO -0.00 -0.10 0.20 0.14 0.04 0.00 0.00 177.00 177.27 2gqh s VAL 37 N -0.74 0.24 -0.08 -0.36 -7.23 -1.26 -4.70 120.40 106.27 2gqh s VAL 37 Ca 0.50 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.64 2gqh s VAL 37 Cb -0.37 -2.46 0.05 0.00 0.56 0.00 0.00 36.38 34.16 2gqh s VAL 37 CO 0.45 0.00 0.17 -0.70 -0.31 0.00 0.00 175.10 174.71 2gqh s GLU 38 N -3.65 0.08 0.38 4.82 2.12 0.65 -5.01 118.70 118.09 2gqh s GLU 38 Ca 0.34 0.51 -0.12 0.00 0.36 0.00 0.00 54.97 56.07 2gqh s GLU 38 Cb 0.03 -0.20 -0.07 0.00 0.26 0.00 0.00 34.13 34.15 2gqh s GLU 38 CO 0.21 -0.24 0.75 -1.58 -0.54 0.00 0.00 175.26 173.86 2gqh s TRP 39 N 1.80 3.44 0.01 5.30 0.52 -1.26 -0.63 118.94 128.12 2gqh s TRP 39 Ca -0.03 1.08 -0.01 0.00 0.02 0.00 0.00 56.10 57.17 2gqh s TRP 39 Cb -0.12 -2.46 -0.01 0.00 -1.15 0.00 0.00 33.47 29.74 2gqh s TRP 39 CO -0.06 -0.04 -0.00 1.03 0.02 0.00 0.00 176.95 177.89 2gqh s ARG 40 N -3.60 0.19 -0.12 4.98 0.52 0.87 -2.83 118.95 118.96 2gqh s ARG 40 Ca 0.52 -0.34 -0.03 0.00 -0.52 0.00 0.00 55.73 55.36 2gqh s ARG 40 Cb -0.10 0.07 0.05 0.00 0.52 0.00 0.00 34.95 35.49 2gqh s ARG 40 CO 0.28 -0.03 0.07 0.21 0.02 0.00 0.00 175.30 175.84 2gqh s LYS 41 N -0.84 0.12 -1.10 3.54 2.47 -0.97 -1.55 119.74 121.41 2gqh s LYS 41 Ca -0.09 0.05 -0.08 0.00 -1.56 0.00 0.00 55.97 54.29 2gqh s LYS 41 Cb -0.06 -1.35 -0.05 0.00 -1.46 0.00 0.00 37.83 34.91 2gqh s LYS 41 CO -0.00 -0.52 0.89 0.41 0.16 0.00 0.00 175.35 176.28 2gqh n GLY 42 N 5.25 -0.98 2.38 5.54 0.00 -1.26 -1.91 105.19 114.21 2gqh n GLY 42 Ca -0.06 0.47 -0.14 0.00 0.00 0.00 0.00 46.02 46.29 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 -3.59 -1.28 -4.50 0.99 4.32 -1.26 -4.95 117.00 106.73 2gqh n LEU 43 Ca -0.12 0.18 -0.28 0.00 -0.02 0.00 0.00 56.01 55.78 2gqh n LEU 43 Cb 0.62 -2.29 -0.11 0.00 -1.62 0.00 0.00 43.42 40.03 2gqh n LEU 43 CO 0.61 -0.24 -0.47 -0.70 -1.22 0.00 0.00 177.39 175.38 2gqh s GLU 44 N -4.75 1.83 -0.59 3.23 2.56 -0.80 -5.09 118.70 115.08 2gqh s GLU 44 Ca 0.00 -1.30 -0.17 0.00 0.00 0.00 0.00 54.97 53.50 2gqh s GLU 44 Cb 0.00 -2.07 0.13 0.00 2.00 0.00 0.00 34.13 34.19 2gqh s GLU 44 CO 0.00 0.44 0.61 0.00 -0.56 0.00 0.00 175.26 175.75 2gqh s ALA 45 N -1.49 3.60 0.54 6.30 0.00 -1.26 -2.29 121.76 127.17 2gqh s ALA 45 Ca 0.21 -2.51 -0.20 0.00 0.00 0.00 0.00 51.96 49.46 2gqh s ALA 45 Cb -0.09 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 2gqh s ALA 45 CO 0.12 -2.17 1.17 -0.51 0.00 0.00 0.00 175.76 174.36 2gqh s LEU 46 N 1.86 3.78 -0.03 0.00 1.43 -1.13 -5.02 118.68 119.58 2gqh s LEU 46 Ca 0.08 2.29 0.00 0.00 -1.03 0.00 0.00 54.13 55.47 2gqh s LEU 46 Cb -0.26 -4.51 0.03 0.00 0.03 0.00 0.00 46.19 41.48 2gqh s LEU 46 CO 0.03 -1.28 0.00 0.00 0.23 0.00 0.00 176.35 175.33 2gqh s ARG 47 N -3.17 0.30 0.13 1.70 1.70 -1.26 -4.71 118.95 113.65 2gqh s ARG 47 Ca 0.72 0.08 -0.35 0.00 -0.47 0.00 0.00 55.73 55.71 2gqh s ARG 47 Cb -0.27 -0.49 -0.15 0.00 -0.57 0.00 0.00 34.95 33.47 2gqh s ARG 47 CO 0.31 -0.14 1.49 -0.40 -1.08 0.00 0.00 175.30 175.48 2gqh n ASP 48 N 4.17 2.53 0.00 -2.89 5.75 -1.26 -4.73 116.55 120.12 2gqh n ASP 48 Ca -0.26 1.10 0.00 0.00 -0.01 0.00 0.00 54.79 55.62 2gqh n ASP 48 Cb 0.50 -1.34 0.00 0.00 -1.03 0.00 0.00 41.12 39.26 2gqh n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2gqh n GLY 49 N 3.07 1.17 0.27 6.12 0.00 -1.00 -5.03 105.19 109.80 2gqh n GLY 49 Ca 0.17 0.36 -0.25 0.00 0.00 0.00 0.00 46.02 46.31 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 1.66 -0.10 1.61 2.03 -1.26 -4.61 116.55 115.88 2gqh n ASP 50 Ca 0.00 0.29 -0.06 0.00 0.52 0.00 0.00 54.79 55.54 2gqh n ASP 50 Cb 0.00 -0.69 0.02 0.00 -0.72 0.00 0.00 41.12 39.72 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 -0.85 0.18 -5.85 -0.67 1.63 -1.96 -3.41 116.57 105.63 2gqh h LYS 51 Ca -0.59 -0.01 -0.68 0.00 -0.85 0.00 0.00 60.65 58.52 2gqh h LYS 51 Cb 1.51 -0.04 -0.28 0.00 -0.60 0.00 0.00 32.23 32.82 2gqh h LYS 51 CO -0.36 0.12 -0.82 0.71 -3.45 0.00 0.00 179.45 175.65 2gqh s TYR 52 N -6.17 2.61 -0.46 1.91 2.02 -1.26 -3.70 117.35 112.30 2gqh s TYR 52 Ca -0.13 -0.58 -0.11 0.00 -0.37 0.00 0.00 57.07 55.87 2gqh s TYR 52 Cb 0.13 -1.68 0.10 0.00 -0.40 0.00 0.00 41.96 40.10 2gqh s TYR 52 CO 0.71 -0.13 0.34 -1.12 -1.57 0.00 0.00 175.55 173.78 2gqh s SER 53 N -0.13 5.80 -0.17 2.29 0.01 -0.86 -2.37 113.70 118.27 2gqh s SER 53 Ca -0.03 -1.66 -0.08 0.00 1.31 0.00 0.00 55.95 55.49 2gqh s SER 53 Cb -0.14 -2.05 -0.04 0.00 0.21 0.00 0.00 66.02 64.00 2gqh s SER 53 CO 0.04 -0.65 0.09 -0.76 0.41 0.00 0.00 173.24 172.36 2gqh s LEU 54 N 1.46 4.00 -0.28 2.44 2.01 -1.26 -2.31 118.68 124.73 2gqh s LEU 54 Ca 0.04 0.19 -0.20 0.00 0.01 0.00 0.00 54.13 54.17 2gqh s LEU 54 Cb -0.25 -2.00 0.08 0.00 0.01 0.00 0.00 46.19 44.02 2gqh s LEU 54 CO 0.02 0.23 0.73 0.00 1.01 0.00 0.00 176.35 178.33 2gqh s ARG 55 N 0.06 0.75 0.08 1.70 1.70 -1.24 -5.00 118.95 117.00 2gqh s ARG 55 Ca 0.07 1.08 -0.01 0.00 -0.47 0.00 0.00 55.73 56.40 2gqh s ARG 55 Cb -0.12 0.26 -0.04 0.00 -0.57 0.00 0.00 34.95 34.48 2gqh s ARG 55 CO 0.00 -0.12 0.00 1.14 -1.08 0.00 0.00 175.30 175.24 2gqh s GLN 56 N 1.03 0.74 -0.27 3.89 1.03 -1.26 -1.81 119.66 123.00 2gqh s GLN 56 Ca -0.05 -1.31 -0.26 0.00 0.04 0.00 0.00 55.36 53.78 2gqh s GLN 56 Cb -0.05 0.21 0.16 0.00 0.03 0.00 0.00 33.01 33.36 2gqh s GLN 56 CO -0.10 -0.17 1.23 0.34 -2.54 0.00 0.00 175.29 174.05 2gqh s ASP 57 N -2.97 -0.24 -1.42 12.60 2.15 -0.30 -4.93 116.67 121.56 2gqh s ASP 57 Ca 0.14 0.42 -0.09 0.00 0.43 0.00 0.00 52.55 53.44 2gqh s ASP 57 Cb 0.08 0.41 0.06 0.00 -0.30 0.00 0.00 42.92 43.17 2gqh s ASP 57 CO -0.05 -0.11 0.65 0.61 -0.17 0.00 0.00 175.17 176.10 2gqh n GLY 58 N 1.61 -0.50 2.23 2.66 0.00 -1.26 -0.17 105.19 109.76 2gqh n GLY 58 Ca -0.10 0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.83 -0.26 -3.95 4.61 0.00 -1.26 -4.57 120.51 111.25 2gqh n ALA 59 Ca -0.02 0.11 -0.31 0.00 0.00 0.00 0.00 53.44 53.22 2gqh n ALA 59 Cb 0.56 -1.33 -0.15 0.00 0.00 0.00 0.00 19.45 18.53 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 -2.48 1.66 0.01 0.00 1.01 0.76 -0.07 120.40 121.29 2gqh s VAL 60 Ca 0.00 -1.47 -0.05 0.00 0.00 0.00 0.00 61.98 60.46 2gqh s VAL 60 Cb 0.00 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.35 2gqh s VAL 60 CO 0.00 -0.23 0.25 0.00 0.00 0.00 0.00 175.10 175.12 2gqh s GLU 62 N -1.85 0.18 -0.04 0.00 2.12 -0.75 -2.12 118.70 116.24 2gqh s GLU 62 Ca 0.28 0.27 -0.14 0.00 0.36 0.00 0.00 54.97 55.74 2gqh s GLU 62 Cb -0.13 -1.06 -0.05 0.00 0.26 0.00 0.00 34.13 33.15 2gqh s GLU 62 CO 0.17 -0.61 0.38 -1.17 -0.54 0.00 0.00 175.26 173.49 2gqh s LEU 63 N 2.34 4.43 -0.05 2.70 2.96 -1.24 -3.58 118.68 126.24 2gqh s LEU 63 Ca 0.06 0.87 0.03 0.00 -0.22 0.00 0.00 54.13 54.88 2gqh s LEU 63 Cb -0.15 -2.53 0.00 0.00 0.50 0.00 0.00 46.19 44.01 2gqh s LEU 63 CO -0.12 0.28 -0.14 -1.10 -1.32 0.00 0.00 176.35 173.96 2gqh s GLN 64 N -0.78 1.59 -0.24 1.98 -0.21 -0.98 -1.28 119.66 119.73 2gqh s GLN 64 Ca 0.23 -0.48 -0.00 0.00 0.02 0.00 0.00 55.36 55.12 2gqh s GLN 64 Cb -0.16 -1.37 0.03 0.00 1.00 0.00 0.00 33.01 32.52 2gqh s GLN 64 CO 0.11 0.14 -0.09 0.42 -2.12 0.00 0.00 175.29 173.76 2gqh s ILE 65 N 0.28 2.60 -0.40 1.08 1.09 -0.81 -2.03 121.20 123.02 2gqh s ILE 65 Ca -0.07 -1.17 -0.25 0.00 -1.10 0.00 0.00 60.65 58.06 2gqh s ILE 65 Cb -0.12 -2.35 0.02 0.00 -1.06 0.00 0.00 42.46 38.95 2gqh s ILE 65 CO 0.02 0.18 0.87 -1.00 -0.10 0.00 0.00 174.94 174.92 2gqh s HIS 66 N 1.27 3.04 0.00 3.97 3.76 -1.24 -3.21 115.29 122.87 2gqh s HIS 66 Ca -0.01 0.57 0.00 0.00 -0.15 0.00 0.00 55.06 55.46 2gqh s HIS 66 Cb -0.17 -3.65 0.00 0.00 1.11 0.00 0.00 32.58 29.87 2gqh s HIS 66 CO -0.06 -0.88 0.00 0.41 -0.85 0.00 0.00 174.74 173.37 2gqh n GLY 67 N 4.60 -0.99 3.88 -2.22 0.00 -1.25 -5.01 105.19 104.21 2gqh n GLY 67 Ca 0.05 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 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 0.00 4.30 0.00 0.99 1.43 -0.73 -4.87 118.68 119.80 2gqh s LEU 68 Ca 0.00 0.71 -0.06 0.00 -1.03 0.00 0.00 54.13 53.75 2gqh s LEU 68 Cb 0.00 -3.18 0.03 0.00 0.03 0.00 0.00 46.19 43.07 2gqh s LEU 68 CO 0.00 0.10 0.48 0.00 0.23 0.00 0.00 176.35 177.16 2gqh n ALA 69 N 0.47 -0.81 0.20 4.21 0.00 -1.26 0.11 120.51 123.44 2gqh n ALA 69 Ca -0.05 -1.06 0.05 0.00 0.00 0.00 0.00 53.44 52.38 2gqh n ALA 69 Cb 0.52 0.85 0.44 0.00 0.00 0.00 0.00 19.45 21.27 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 0.00 -0.10 0.00 2.86 -1.96 -2.80 114.93 112.93 2gqh h MET 70 Ca -0.23 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.22 2gqh h MET 70 Cb 0.90 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.56 2gqh h MET 70 CO 0.30 0.31 -0.72 0.00 1.06 0.00 0.00 176.91 177.85 2gqh h ALA 71 N 1.69 0.55 -0.72 6.32 0.00 -1.99 -3.21 119.26 121.90 2gqh h ALA 71 Ca -0.00 -0.60 0.12 0.00 0.00 0.00 0.00 54.91 54.43 2gqh h ALA 71 Cb 0.61 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 2gqh h ALA 71 CO 0.04 0.74 0.30 -0.44 0.00 0.00 0.00 179.25 179.89 2gqh h ASP 72 N 0.34 0.32 -1.02 0.00 3.32 -1.88 -3.42 116.42 114.08 2gqh h ASP 72 Ca -0.03 0.09 -0.75 0.00 0.02 0.00 0.00 57.03 56.36 2gqh h ASP 72 Cb 1.31 0.05 0.07 0.00 0.22 0.00 0.00 39.33 40.98 2gqh h ASP 72 CO 0.13 0.15 -0.11 0.59 -1.72 0.00 0.00 179.24 178.29 2gqh n ASN 73 N -4.96 -0.34 0.00 6.45 3.02 -1.22 -4.79 115.26 113.42 2gqh n ASN 73 Ca 0.12 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.82 2gqh n ASN 73 Cb 0.35 -0.93 0.00 0.00 -0.61 0.00 0.00 39.78 38.59 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 1.66 -0.71 2.71 7.41 0.00 -1.26 -5.04 105.19 109.97 2gqh n GLY 74 Ca 0.19 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 2gqh n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gqh s VAL 75 N -4.00 0.79 0.37 1.61 1.01 -1.26 -3.11 120.40 115.82 2gqh s VAL 75 Ca 0.00 -1.37 -0.25 0.00 0.00 0.00 0.00 61.98 60.36 2gqh s VAL 75 Cb 0.00 -1.61 -0.09 0.00 0.00 0.00 0.00 36.38 34.68 2gqh s VAL 75 CO 0.00 -0.69 1.04 -0.31 0.00 0.00 0.00 175.10 175.14 2gqh s TYR 76 N 1.62 3.37 0.06 5.22 1.51 -0.45 -4.48 117.35 124.21 2gqh s TYR 76 Ca 0.10 1.67 0.05 0.00 -1.01 0.00 0.00 57.07 57.88 2gqh s TYR 76 Cb -0.17 -3.11 -0.03 0.00 -0.11 0.00 0.00 41.96 38.54 2gqh s TYR 76 CO -0.25 -0.48 -0.14 -1.54 -1.11 0.00 0.00 175.55 172.02 2gqh s SER 77 N -1.50 1.69 -0.26 2.29 1.04 -0.59 -0.77 113.70 115.60 2gqh s SER 77 Ca 0.55 -0.57 -0.02 0.00 0.48 0.00 0.00 55.95 56.39 2gqh s SER 77 Cb -0.22 -0.07 0.08 0.00 0.10 0.00 0.00 66.02 65.91 2gqh s SER 77 CO 0.28 -0.04 0.07 0.00 0.98 0.00 0.00 173.24 174.53 2gqh s VAL 79 N 1.74 4.85 -0.31 0.00 1.01 0.20 -2.19 120.40 125.70 2gqh s VAL 79 Ca 0.04 1.20 0.09 0.00 0.00 0.00 0.00 61.98 63.31 2gqh s VAL 79 Cb -0.17 -3.90 0.46 0.00 0.00 0.00 0.00 36.38 32.77 2gqh s VAL 79 CO -0.18 0.49 1.16 0.00 0.00 0.00 0.00 175.10 176.57 2gqh n GLY 81 N -0.65 1.88 0.48 0.00 0.00 -1.26 -4.47 105.19 101.16 2gqh n GLY 81 Ca 0.38 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 2gqh n GLY 81 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2gqh n GLN 82 N 0.00 0.34 -2.39 1.61 1.13 -1.26 -5.05 117.38 111.76 2gqh n GLN 82 Ca 0.00 0.14 -0.25 0.00 -1.94 0.00 0.00 57.00 54.95 2gqh n GLN 82 Cb 0.00 -1.08 0.12 0.00 0.11 0.00 0.00 30.24 29.39 2gqh n GLN 82 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2gqh s GLU 83 N -2.42 1.49 -0.15 -1.09 0.41 -1.26 -5.12 118.70 110.56 2gqh s GLU 83 Ca -0.20 -0.84 -0.32 0.00 -0.41 0.00 0.00 54.97 53.19 2gqh s GLU 83 Cb 0.06 -2.20 0.13 0.00 -1.78 0.00 0.00 34.13 30.34 2gqh s GLU 83 CO 0.28 -1.65 1.10 -0.98 -0.49 0.00 0.00 175.26 173.52 2gqh s ARG 84 N -5.33 0.47 -0.03 1.61 3.03 -1.26 -1.49 118.95 115.95 2gqh s ARG 84 Ca 0.67 -0.09 0.02 0.00 2.03 0.00 0.00 55.73 58.36 2gqh s ARG 84 Cb -0.06 0.22 0.01 0.00 -1.03 0.00 0.00 34.95 34.09 2gqh s ARG 84 CO 0.46 -0.19 -0.06 -0.08 -1.13 0.00 0.00 175.30 174.31 2gqh s THR 85 N -2.15 0.55 0.23 4.99 -1.32 -0.93 -4.96 115.64 112.04 2gqh s THR 85 Ca 0.06 -0.20 0.09 0.00 -1.21 0.00 0.00 61.69 60.43 2gqh s THR 85 Cb -0.01 -0.52 -0.04 0.00 -1.51 0.00 0.00 72.50 70.42 2gqh s THR 85 CO -0.05 0.20 -0.06 -0.55 -2.21 0.00 0.00 174.62 171.95 2gqh s SER 86 N 0.43 4.35 0.16 8.08 0.15 -1.26 -1.39 113.70 124.22 2gqh s SER 86 Ca -0.06 -0.64 -0.10 0.00 0.70 0.00 0.00 55.95 55.86 2gqh s SER 86 Cb -0.09 -0.75 -0.00 0.00 -1.71 0.00 0.00 66.02 63.46 2gqh s SER 86 CO 0.00 0.05 0.30 0.00 1.20 0.00 0.00 173.24 174.79 2gqh s ALA 87 N -2.05 -0.13 -0.12 5.45 0.00 0.05 -4.78 121.76 120.18 2gqh s ALA 87 Ca 0.28 -0.78 -0.02 0.00 0.00 0.00 0.00 51.96 51.45 2gqh s ALA 87 Cb -0.07 0.82 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 2gqh s ALA 87 CO 0.17 -0.65 -0.06 0.99 0.00 0.00 0.00 175.76 176.21 2gqh s THR 88 N -3.94 3.70 -0.32 0.00 2.01 -1.26 -1.34 115.64 114.49 2gqh s THR 88 Ca 0.15 -0.45 -0.08 0.00 0.31 0.00 0.00 61.69 61.62 2gqh s THR 88 Cb 0.03 -2.57 0.01 0.00 0.01 0.00 0.00 72.50 69.98 2gqh s THR 88 CO -0.02 0.54 0.12 -0.22 -0.69 0.00 0.00 174.62 174.35 2gqh s LEU 89 N -0.06 4.11 -0.39 4.42 2.96 -1.18 -2.84 118.68 125.70 2gqh s LEU 89 Ca 0.01 -0.78 -0.22 0.00 -0.22 0.00 0.00 54.13 52.91 2gqh s LEU 89 Cb -0.13 -1.92 0.01 0.00 0.50 0.00 0.00 46.19 44.64 2gqh s LEU 89 CO 0.03 -0.24 0.72 -0.89 -1.32 0.00 0.00 176.35 174.64 2gqh s THR 90 N 1.51 4.78 -0.38 3.68 2.01 -1.00 -3.98 115.64 122.26 2gqh s THR 90 Ca 0.02 0.61 -0.08 0.00 0.31 0.00 0.00 61.69 62.55 2gqh s THR 90 Cb -0.18 -4.18 0.06 0.00 0.01 0.00 0.00 72.50 68.21 2gqh s THR 90 CO 0.04 -0.47 0.19 -0.69 -0.69 0.00 0.00 174.62 173.00 2gqh s VAL 91 N 2.97 4.04 0.20 3.82 1.01 -1.25 -1.60 120.40 129.58 2gqh s VAL 91 Ca 0.28 -1.28 -0.26 0.00 0.00 0.00 0.00 61.98 60.72 2gqh s VAL 91 Cb -0.13 -3.40 -0.08 0.00 0.00 0.00 0.00 36.38 32.77 2gqh s VAL 91 CO 0.18 -0.36 0.81 -0.13 0.00 0.00 0.00 175.10 175.60 2gqh s ARG 92 N 1.41 4.60 0.04 2.72 0.52 -1.17 -4.79 118.95 122.27 2gqh s ARG 92 Ca 0.01 1.21 -0.24 0.00 -0.52 0.00 0.00 55.73 56.19 2gqh s ARG 92 Cb -0.21 -3.20 -0.06 0.00 0.52 0.00 0.00 34.95 32.00 2gqh s ARG 92 CO 0.02 0.53 0.72 0.00 0.02 0.00 0.00 175.30 176.59 2gqh s ALA 93 N -1.22 3.41 0.43 2.13 0.00 -1.26 0.35 121.76 125.59 2gqh s ALA 93 Ca 0.38 0.22 -0.23 0.00 0.00 0.00 0.00 51.96 52.33 2gqh s ALA 93 Cb -0.23 -2.92 -0.09 0.00 0.00 0.00 0.00 23.12 19.88 2gqh s ALA 93 CO 0.27 0.10 1.07 -0.51 0.00 0.00 0.00 175.76 176.69 2gqh s LEU 94 N -0.15 4.06 0.98 0.00 1.02 -1.26 -4.93 118.68 118.40 2gqh s LEU 94 Ca 0.36 2.07 -0.12 0.00 0.02 0.00 0.00 54.13 56.46 2gqh s LEU 94 Cb -0.20 -4.26 0.18 0.00 0.02 0.00 0.00 46.19 41.92 2gqh s LEU 94 CO 0.22 -0.63 1.09 -2.16 0.02 0.00 0.00 176.35 174.89 2gqh s PRO 95 N -2.67 0.60 0.20 1.29 0.04 -1.26 -5.06 135.00 128.14 2gqh s PRO 95 Ca 0.61 0.58 0.04 0.00 0.04 0.00 0.00 61.00 62.26 2gqh s PRO 95 Cb -0.22 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 2gqh s PRO 95 CO 0.28 -2.63 0.33 0.00 0.04 0.00 0.00 177.00 175.01 2gqh s ALA 96 N -2.96 3.94 0.00 8.56 0.00 -1.26 -5.12 121.76 124.92 2gqh s ALA 96 Ca 0.65 -1.14 0.01 0.00 0.00 0.00 0.00 51.96 51.49 2gqh s ALA 96 Cb -0.18 -1.76 -0.01 0.00 0.00 0.00 0.00 23.12 21.17 2gqh s ALA 96 CO 0.57 0.37 -0.05 -0.98 0.00 0.00 0.00 175.76 175.67 2gqh s ARG 97 N -3.65 0.39 -0.12 0.00 1.70 -1.26 -5.14 118.95 110.86 2gqh s ARG 97 Ca 0.34 -0.22 -0.05 0.00 -0.47 0.00 0.00 55.73 55.34 2gqh s ARG 97 Cb -0.10 -0.35 0.06 0.00 -0.57 0.00 0.00 34.95 33.99 2gqh s ARG 97 CO 0.29 0.09 0.26 0.12 -1.08 0.00 0.00 175.30 174.98 2gqh s PHE 98 N -0.22 -0.39 -0.42 5.89 2.19 -1.26 -5.10 117.98 118.66 2gqh s PHE 98 Ca 0.01 0.92 -0.41 0.00 0.33 0.00 0.00 56.93 57.77 2gqh s PHE 98 Cb -0.03 -0.02 -0.16 0.00 -1.31 0.00 0.00 43.02 41.50 2gqh s PHE 98 CO -0.00 -0.32 2.03 -0.89 1.83 0.00 0.00 175.22 177.86 2gqh n ILE 99 N 5.05 0.11 -2.38 3.12 5.41 -1.26 -4.90 119.36 124.51 2gqh n ILE 99 Ca -0.11 -0.09 -0.32 0.00 1.00 0.00 0.00 62.75 63.23 2gqh n ILE 99 Cb 0.51 -0.96 -0.03 0.00 -0.71 0.00 0.00 39.64 38.44 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 5.31 3.91 -0.63 0.38 1.03 -1.26 -4.98 118.70 122.47 2gqh s GLU 100 Ca 1.12 0.97 -0.01 0.00 0.03 0.00 0.00 54.97 57.08 2gqh s GLU 100 Cb -1.24 -2.13 0.44 0.00 -0.80 0.00 0.00 34.13 30.40 2gqh s GLU 100 CO 0.63 -0.30 1.90 -0.25 -1.33 0.00 0.00 175.26 175.91 2gqh n ASP 101 N -1.60 7.26 -4.28 0.83 8.00 -1.26 -4.96 116.55 120.55 2gqh n ASP 101 Ca 0.07 -3.79 -0.19 0.00 0.71 0.00 0.00 54.79 51.59 2gqh n ASP 101 Cb 0.54 -0.89 -0.10 0.00 -0.02 0.00 0.00 41.12 40.65 2gqh n ASP 101 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2gqh s SER 102 N -2.05 1.79 -0.39 -2.24 1.04 -1.26 -5.13 113.70 105.46 2gqh s SER 102 Ca 0.62 -1.45 -0.02 0.00 0.48 0.00 0.00 55.95 55.58 2gqh s SER 102 Cb 0.49 0.17 0.20 0.00 0.10 0.00 0.00 66.02 66.98 2gqh s SER 102 CO -0.04 -0.75 0.93 -0.83 0.98 0.00 0.00 173.24 173.54 2gqh s GLY 103 N -3.41 -1.59 0.00 7.32 0.00 -1.26 -5.00 107.32 103.38 2gqh s GLY 103 Ca 0.35 0.45 0.15 0.00 0.00 0.00 0.00 44.72 45.67 2gqh s GLY 103 CO 0.15 4.06 1.41 -1.55 0.00 0.00 0.00 173.10 177.18 2gqh n PRO 104 N 3.18 0.17 -2.31 2.90 -0.04 -1.26 -4.58 135.00 133.06 2gqh n PRO 104 Ca 0.12 0.17 -0.36 0.00 -0.04 0.00 0.00 63.50 63.38 2gqh n PRO 104 Cb 0.61 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.54 2gqh n PRO 104 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2gqh s SER 105 N -2.66 5.79 -0.30 3.54 0.15 -1.26 -4.87 113.70 114.09 2gqh s SER 105 Ca 0.13 -0.66 -0.11 0.00 0.70 0.00 0.00 55.95 56.00 2gqh s SER 105 Cb 0.10 -2.56 0.15 0.00 -1.71 0.00 0.00 66.02 62.00 2gqh s SER 105 CO 0.23 -2.11 0.77 -0.55 1.20 0.00 0.00 173.24 172.78 2gqh s SER 106 N 6.22 -0.96 0.00 5.45 0.15 -1.26 -5.28 113.70 118.02 2gqh s SER 106 Ca 0.55 1.26 0.00 0.00 0.70 0.00 0.00 55.95 58.46 2gqh s SER 106 Cb -0.06 2.07 0.00 0.00 -1.71 0.00 0.00 66.02 66.32 2gqh s SER 106 CO 0.04 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.91