#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gqh n SER 2 N 0.00 1.53 -2.72 1.61 7.64 -1.26 -5.03 113.62 115.39 2gqh n SER 2 Ca 0.00 0.26 -0.16 0.00 1.01 0.00 0.00 58.87 59.98 2gqh n SER 2 Cb 0.00 -0.63 0.06 0.00 -1.01 0.00 0.00 64.21 62.63 2gqh n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2gqh n SER 3 N -4.00 -4.38 -3.79 6.43 2.88 -1.26 -5.03 113.62 104.48 2gqh n SER 3 Ca -0.37 -0.40 -0.13 0.00 -1.33 0.00 0.00 58.87 56.64 2gqh n SER 3 Cb 0.74 -3.76 -0.12 0.00 -0.75 0.00 0.00 64.21 60.31 2gqh n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2gqh s GLY 4 N -3.41 -0.15 0.27 0.46 0.00 -1.26 -5.14 107.32 98.09 2gqh s GLY 4 Ca 0.32 0.66 -0.30 0.00 0.00 0.00 0.00 44.72 45.40 2gqh s GLY 4 CO 0.52 0.65 1.39 -1.35 0.00 0.00 0.00 173.10 174.31 2gqh s SER 5 N 0.33 6.71 0.43 1.64 1.04 -1.26 -4.99 113.70 117.61 2gqh s SER 5 Ca -0.02 2.64 -0.23 0.00 0.48 0.00 0.00 55.95 58.83 2gqh s SER 5 Cb -0.03 -2.63 -0.09 0.00 0.10 0.00 0.00 66.02 63.37 2gqh s SER 5 CO -0.01 -0.64 1.04 -0.44 0.98 0.00 0.00 173.24 174.17 2gqh s SER 6 N 0.13 6.64 1.65 7.02 0.01 -1.26 -4.81 113.70 123.09 2gqh s SER 6 Ca 0.56 1.99 0.00 0.00 1.31 0.00 0.00 55.95 59.81 2gqh s SER 6 Cb -0.41 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.25 2gqh s SER 6 CO 0.45 -0.57 0.00 0.61 0.41 0.00 0.00 173.24 174.14 2gqh n GLY 7 N 0.11 3.40 3.39 3.44 0.00 -1.26 -4.79 105.19 109.48 2gqh n GLY 7 Ca 0.06 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 -0.11 -0.04 4.61 0.00 -1.26 -4.99 121.76 117.97 2gqh s ALA 8 Ca 0.00 -0.83 0.06 0.00 0.00 0.00 0.00 51.96 51.19 2gqh s ALA 8 Cb 0.00 0.90 -0.01 0.00 0.00 0.00 0.00 23.12 24.01 2gqh s ALA 8 CO 0.00 -0.69 -0.21 -0.98 0.00 0.00 0.00 175.76 173.88 2gqh s ARG 9 N -3.97 2.02 -0.69 0.00 1.70 -1.26 -4.35 118.95 112.40 2gqh s ARG 9 Ca 0.17 -0.76 -0.26 0.00 -0.47 0.00 0.00 55.73 54.42 2gqh s ARG 9 Cb 0.02 -1.79 -0.07 0.00 -0.57 0.00 0.00 34.95 32.54 2gqh s ARG 9 CO 0.01 0.36 2.18 -0.06 -1.08 0.00 0.00 175.30 176.70 2gqh s PHE 10 N -0.20 1.39 -0.42 5.89 0.08 -1.26 -2.31 117.98 121.15 2gqh s PHE 10 Ca 0.00 1.29 0.23 0.00 0.12 0.00 0.00 56.93 58.57 2gqh s PHE 10 Cb -0.11 -3.77 0.31 0.00 -0.57 0.00 0.00 43.02 38.89 2gqh s PHE 10 CO 0.02 -2.06 1.57 0.00 -0.10 0.00 0.00 175.22 174.64 2gqh h THR 11 N 7.40 0.00 0.00 0.64 1.03 -1.89 -3.36 112.91 116.73 2gqh h THR 11 Ca -0.11 -1.00 -0.16 0.00 -0.01 0.00 0.00 66.41 65.13 2gqh h THR 11 Cb 1.12 1.96 -0.03 0.00 -1.07 0.00 0.00 68.15 70.13 2gqh h THR 11 CO 1.15 0.00 -1.61 1.21 -0.01 0.00 0.00 175.52 176.26 2gqh n GLU 12 N -3.07 0.27 -0.89 0.00 4.07 -1.17 -5.03 120.64 114.82 2gqh n GLU 12 Ca 0.04 0.06 0.08 0.00 -0.06 0.00 0.00 57.16 57.28 2gqh n GLU 12 Cb 0.53 -1.21 -0.05 0.00 -0.06 0.00 0.00 31.44 30.66 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 2.98 -3.19 3.77 8.31 0.00 -1.26 -4.88 105.19 110.92 2gqh n GLY 13 Ca -0.19 -1.17 -0.38 0.00 0.00 0.00 0.00 46.02 44.28 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 -5.66 4.42 0.20 0.99 1.43 -1.26 -4.69 118.68 114.11 2gqh s LEU 14 Ca 0.00 1.89 0.10 0.00 -1.03 0.00 0.00 54.13 55.09 2gqh s LEU 14 Cb 0.00 -3.90 -0.04 0.00 0.03 0.00 0.00 46.19 42.28 2gqh s LEU 14 CO 0.00 -0.03 -0.12 0.00 0.23 0.00 0.00 176.35 176.43 2gqh s ARG 15 N -1.81 1.96 0.50 1.70 1.70 -1.26 -4.75 118.95 116.98 2gqh s ARG 15 Ca 0.48 -1.37 -0.20 0.00 -0.47 0.00 0.00 55.73 54.16 2gqh s ARG 15 Cb -0.21 -2.07 -0.10 0.00 -0.57 0.00 0.00 34.95 31.99 2gqh s ARG 15 CO 0.27 0.41 0.60 0.27 -1.08 0.00 0.00 175.30 175.76 2gqh n ASN 16 N -0.09 -0.68 -4.01 -2.89 6.94 -1.26 -4.78 115.26 108.49 2gqh n ASN 16 Ca -0.10 0.83 -0.09 0.00 -0.02 0.00 0.00 54.58 55.21 2gqh n ASN 16 Cb 0.56 -1.18 -0.11 0.00 -2.36 0.00 0.00 39.78 36.70 2gqh n ASN 16 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 2gqh s GLU 17 N -1.90 0.39 -0.02 -3.83 2.56 -1.06 -5.01 118.70 109.83 2gqh s GLU 17 Ca 0.66 -0.77 0.02 0.00 0.00 0.00 0.00 54.97 54.88 2gqh s GLU 17 Cb -0.51 0.14 0.00 0.00 2.00 0.00 0.00 34.13 35.76 2gqh s GLU 17 CO 0.56 -0.07 -0.07 -2.00 -0.56 0.00 0.00 175.26 173.12 2gqh s GLU 18 N -2.11 0.74 0.23 4.30 2.12 -1.26 -2.61 118.70 120.11 2gqh s GLU 18 Ca -0.10 -0.23 0.02 0.00 0.36 0.00 0.00 54.97 55.03 2gqh s GLU 18 Cb -0.05 -0.72 -0.01 0.00 0.26 0.00 0.00 34.13 33.62 2gqh s GLU 18 CO -0.03 0.08 0.26 0.00 -0.54 0.00 0.00 175.26 175.03 2gqh n ALA 19 N 3.30 0.15 -2.51 6.30 0.00 -0.61 -4.97 120.51 122.17 2gqh n ALA 19 Ca -0.18 -1.22 -0.25 0.00 0.00 0.00 0.00 53.44 51.79 2gqh n ALA 19 Cb 0.55 0.99 -0.10 0.00 0.00 0.00 0.00 19.45 20.89 2gqh n ALA 19 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2gqh s MET 20 N -2.74 1.81 0.36 0.00 -1.94 -1.26 -2.77 119.30 112.76 2gqh s MET 20 Ca 0.24 -1.54 -0.28 0.00 -1.71 0.00 0.00 55.69 52.39 2gqh s MET 20 Cb 0.00 -1.94 -0.12 0.00 2.01 0.00 0.00 34.83 34.79 2gqh s MET 20 CO 0.17 0.38 1.43 -1.91 -0.01 0.00 0.00 175.02 175.07 2gqh n GLU 21 N -0.28 2.48 0.00 2.03 0.00 -0.27 -1.37 120.64 123.24 2gqh n GLU 21 Ca -0.09 0.87 0.00 0.00 0.00 0.00 0.00 57.16 57.95 2gqh n GLU 21 Cb 0.58 -2.55 0.00 0.00 0.00 0.00 0.00 31.44 29.46 2gqh n GLU 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2gqh n GLY 22 N 0.73 2.96 3.92 8.31 0.00 -0.63 -4.82 105.19 115.66 2gqh n GLY 22 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.35 2.49 -0.40 4.61 0.00 -0.47 -4.41 121.76 121.23 2gqh s ALA 23 Ca 0.00 -0.95 -0.05 0.00 0.00 0.00 0.00 51.96 50.96 2gqh s ALA 23 Cb 0.00 -2.84 0.09 0.00 0.00 0.00 0.00 23.12 20.37 2gqh s ALA 23 CO 0.00 -2.03 0.20 0.99 0.00 0.00 0.00 175.76 174.92 2gqh s THR 24 N -3.71 3.56 0.37 0.00 2.01 -1.26 -2.92 115.64 113.70 2gqh s THR 24 Ca 0.68 -1.75 -0.28 0.00 0.31 0.00 0.00 61.69 60.65 2gqh s THR 24 Cb -0.07 -3.30 -0.11 0.00 0.01 0.00 0.00 72.50 69.02 2gqh s THR 24 CO 0.51 -0.55 1.44 0.00 -0.69 0.00 0.00 174.62 175.32 2gqh n ALA 25 N 4.71 2.11 -3.86 7.40 0.00 -1.08 -4.75 120.51 125.03 2gqh n ALA 25 Ca -0.07 0.34 -0.30 0.00 0.00 0.00 0.00 53.44 53.42 2gqh n ALA 25 Cb 0.42 -2.38 -0.16 0.00 0.00 0.00 0.00 19.45 17.34 2gqh n ALA 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2gqh s THR 26 N -1.11 1.26 -0.11 0.00 2.01 -1.26 -1.78 115.64 114.65 2gqh s THR 26 Ca 0.54 -1.23 -0.05 0.00 0.31 0.00 0.00 61.69 61.25 2gqh s THR 26 Cb -0.50 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 2gqh s THR 26 CO 0.63 -0.29 0.10 -0.76 -0.69 0.00 0.00 174.62 173.61 2gqh s LEU 27 N 1.49 4.12 -0.02 4.42 1.43 -0.72 -4.95 118.68 124.45 2gqh s LEU 27 Ca -0.00 0.36 0.04 0.00 -1.03 0.00 0.00 54.13 53.49 2gqh s LEU 27 Cb -0.18 -1.99 -0.00 0.00 0.03 0.00 0.00 46.19 44.04 2gqh s LEU 27 CO -0.11 0.39 -0.13 -1.58 0.23 0.00 0.00 176.35 175.16 2gqh s GLN 28 N -0.92 1.22 0.10 1.70 0.74 -1.26 -1.50 119.66 119.74 2gqh s GLN 28 Ca 0.14 -0.45 -0.04 0.00 0.05 0.00 0.00 55.36 55.06 2gqh s GLN 28 Cb -0.12 -1.13 -0.03 0.00 1.10 0.00 0.00 33.01 32.84 2gqh s GLN 28 CO 0.03 0.22 0.09 0.00 -0.55 0.00 0.00 175.29 175.07 2gqh s GLU 30 N -3.95 1.14 0.08 0.00 2.12 -1.26 -2.02 118.70 114.80 2gqh s GLU 30 Ca 0.13 -0.49 0.09 0.00 0.36 0.00 0.00 54.97 55.06 2gqh s GLU 30 Cb 0.07 -1.09 -0.04 0.00 0.26 0.00 0.00 34.13 33.33 2gqh s GLU 30 CO -0.05 0.29 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.24 2gqh s LEU 31 N -0.29 2.54 0.61 2.70 1.43 -1.03 -3.02 118.68 121.63 2gqh s LEU 31 Ca 0.05 -0.54 0.25 0.00 -1.03 0.00 0.00 54.13 52.86 2gqh s LEU 31 Cb -0.06 -1.45 1.03 0.00 0.03 0.00 0.00 46.19 45.74 2gqh s LEU 31 CO -0.00 0.22 1.47 -1.28 0.23 0.00 0.00 176.35 176.99 2gqh h SER 32 N 4.21 0.00 -4.06 2.29 0.87 -1.82 -3.41 113.55 111.64 2gqh h SER 32 Ca -0.49 0.00 0.14 0.00 -1.23 0.00 0.00 61.79 60.22 2gqh h SER 32 Cb 1.16 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 62.90 2gqh h SER 32 CO 0.45 0.00 0.66 -1.59 -0.53 0.00 0.00 176.83 175.82 2gqh s LYS 33 N -4.42 0.49 -0.14 2.24 -2.85 -1.26 -5.04 119.74 108.75 2gqh s LYS 33 Ca -0.03 0.00 -0.41 0.00 -1.00 0.00 0.00 55.97 54.54 2gqh s LYS 33 Cb 0.13 0.23 -0.18 0.00 -2.06 0.00 0.00 37.83 35.94 2gqh s LYS 33 CO 0.43 -0.18 1.38 0.00 0.10 0.00 0.00 175.35 177.09 2gqh n ALA 34 N 0.39 -1.85 -3.56 0.59 0.00 -1.26 -4.79 120.51 110.03 2gqh n ALA 34 Ca -0.06 0.52 -0.14 0.00 0.00 0.00 0.00 53.44 53.76 2gqh n ALA 34 Cb 0.59 -1.96 -0.06 0.00 0.00 0.00 0.00 19.45 18.02 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 1.44 -1.86 -0.08 0.00 0.00 -1.26 -4.94 121.76 115.05 2gqh s ALA 35 Ca 0.94 1.49 -0.30 0.00 0.00 0.00 0.00 51.96 54.09 2gqh s ALA 35 Cb -1.21 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 2gqh s ALA 35 CO 0.62 -0.33 1.52 -1.25 0.00 0.00 0.00 175.76 176.31 2gqh s PRO 36 N -1.09 4.20 0.29 0.00 0.04 -1.26 -4.97 135.00 132.21 2gqh s PRO 36 Ca -0.05 2.01 0.08 0.00 0.04 0.00 0.00 61.00 63.08 2gqh s PRO 36 Cb -0.00 -3.89 -0.04 0.00 0.04 0.00 0.00 34.50 30.61 2gqh s PRO 36 CO 0.05 -0.79 0.13 0.14 0.04 0.00 0.00 177.00 176.58 2gqh s VAL 37 N 3.75 3.69 -0.02 -0.36 -7.23 -1.26 -4.66 120.40 114.31 2gqh s VAL 37 Ca 0.67 -1.62 0.01 0.00 -1.81 0.00 0.00 61.98 59.22 2gqh s VAL 37 Cb -0.30 -3.10 0.01 0.00 0.56 0.00 0.00 36.38 33.55 2gqh s VAL 37 CO 0.25 -0.30 -0.02 -0.70 -0.31 0.00 0.00 175.10 174.02 2gqh s GLU 38 N -3.81 0.34 -0.03 4.82 2.56 0.43 -4.97 118.70 118.03 2gqh s GLU 38 Ca 0.35 -0.03 -0.02 0.00 0.00 0.00 0.00 54.97 55.26 2gqh s GLU 38 Cb -0.06 -0.42 -0.04 0.00 2.00 0.00 0.00 34.13 35.61 2gqh s GLU 38 CO 0.23 -0.04 0.12 -1.58 -0.56 0.00 0.00 175.26 173.43 2gqh s TRP 39 N 0.53 3.42 0.18 5.30 0.52 -1.26 -0.11 118.94 127.52 2gqh s TRP 39 Ca -0.05 0.31 -0.01 0.00 0.02 0.00 0.00 56.10 56.37 2gqh s TRP 39 Cb -0.08 -1.81 -0.04 0.00 -1.15 0.00 0.00 33.47 30.39 2gqh s TRP 39 CO -0.01 0.61 0.11 1.03 0.02 0.00 0.00 176.95 178.71 2gqh s ARG 40 N -1.61 1.12 -0.15 4.98 0.52 -0.81 -3.17 118.95 119.83 2gqh s ARG 40 Ca 0.22 -1.57 -0.25 0.00 -0.52 0.00 0.00 55.73 53.61 2gqh s ARG 40 Cb -0.12 0.26 0.06 0.00 0.52 0.00 0.00 34.95 35.67 2gqh s ARG 40 CO 0.13 -0.35 0.63 0.21 0.02 0.00 0.00 175.30 175.94 2gqh s LYS 41 N -4.12 0.87 -1.43 3.54 2.20 -0.97 -2.51 119.74 117.32 2gqh s LYS 41 Ca 0.34 0.55 -0.06 0.00 -0.36 0.00 0.00 55.97 56.44 2gqh s LYS 41 Cb 0.07 0.42 0.06 0.00 -1.51 0.00 0.00 37.83 36.87 2gqh s LYS 41 CO 0.09 -0.19 0.15 0.41 -0.36 0.00 0.00 175.35 175.45 2gqh n GLY 42 N 1.88 -0.18 3.70 5.54 0.00 -1.26 0.19 105.19 115.06 2gqh n GLY 42 Ca -0.17 0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.95 -3.15 -4.26 0.99 4.32 -1.26 -4.99 117.00 104.70 2gqh n LEU 43 Ca -0.17 -0.63 -0.20 0.00 -0.02 0.00 0.00 56.01 55.00 2gqh n LEU 43 Cb 0.54 -2.88 -0.11 0.00 -1.62 0.00 0.00 43.42 39.35 2gqh n LEU 43 CO 0.77 0.58 -0.47 -0.70 -1.22 0.00 0.00 177.39 176.35 2gqh s GLU 44 N -6.38 1.07 -0.44 3.23 2.56 0.50 -5.12 118.70 114.13 2gqh s GLU 44 Ca 0.58 -1.23 -0.17 0.00 0.00 0.00 0.00 54.97 54.16 2gqh s GLU 44 Cb -0.27 -1.07 0.04 0.00 2.00 0.00 0.00 34.13 34.83 2gqh s GLU 44 CO 0.76 0.22 0.41 0.00 -0.56 0.00 0.00 175.26 176.10 2gqh s ALA 45 N -1.85 3.46 0.42 6.30 0.00 -1.26 -2.28 121.76 126.55 2gqh s ALA 45 Ca 0.09 -1.72 -0.20 0.00 0.00 0.00 0.00 51.96 50.13 2gqh s ALA 45 Cb -0.07 -3.05 -0.10 0.00 0.00 0.00 0.00 23.12 19.90 2gqh s ALA 45 CO 0.04 -1.63 0.91 -0.51 0.00 0.00 0.00 175.76 174.57 2gqh s LEU 46 N 1.97 3.94 0.00 0.00 1.43 -1.19 -5.03 118.68 119.79 2gqh s LEU 46 Ca 0.09 1.60 0.03 0.00 -1.03 0.00 0.00 54.13 54.83 2gqh s LEU 46 Cb -0.19 -4.45 -0.01 0.00 0.03 0.00 0.00 46.19 41.56 2gqh s LEU 46 CO 0.11 -0.35 0.13 -2.11 0.23 0.00 0.00 176.35 174.35 2gqh n ARG 47 N -0.67 0.62 -4.33 1.70 1.85 -1.26 -4.80 116.66 109.76 2gqh n ARG 47 Ca 0.06 -3.28 -0.34 0.00 -1.00 0.00 0.00 57.85 53.29 2gqh n ARG 47 Cb 0.54 1.70 -0.10 0.00 -1.05 0.00 0.00 32.46 33.55 2gqh n ARG 47 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 177.63 177.78 2gqh s ASP 48 N -3.39 5.12 0.00 2.89 1.47 -1.26 -4.60 116.67 116.90 2gqh s ASP 48 Ca 0.18 0.03 0.00 0.00 1.18 0.00 0.00 52.55 53.94 2gqh s ASP 48 Cb 0.01 -1.65 0.00 0.00 -0.34 0.00 0.00 42.92 40.94 2gqh s ASP 48 CO 0.13 0.27 0.00 0.61 0.68 0.00 0.00 175.17 176.86 2gqh n GLY 49 N 2.86 -1.87 0.93 2.12 0.00 -1.15 -5.03 105.19 103.05 2gqh n GLY 49 Ca -0.18 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 0.67 -0.15 1.61 8.00 -1.26 -4.80 116.55 120.62 2gqh n ASP 50 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.46 2gqh n ASP 50 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.15 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 0.00 0.34 -6.44 -1.24 1.63 -1.93 -3.42 116.57 105.50 2gqh h LYS 51 Ca 0.00 -0.02 -0.67 0.00 -0.85 0.00 0.00 60.65 59.11 2gqh h LYS 51 Cb 0.84 -0.08 -0.29 0.00 -0.60 0.00 0.00 32.23 32.10 2gqh h LYS 51 CO 0.00 0.23 -0.88 0.71 -3.45 0.00 0.00 179.45 176.06 2gqh s TYR 52 N -6.14 2.17 -0.51 1.91 1.51 -1.26 -2.39 117.35 112.64 2gqh s TYR 52 Ca -0.13 -0.41 0.01 0.00 -1.01 0.00 0.00 57.07 55.53 2gqh s TYR 52 Cb 0.14 -1.38 0.13 0.00 -0.11 0.00 0.00 41.96 40.74 2gqh s TYR 52 CO 0.73 -0.01 0.28 0.45 -1.11 0.00 0.00 175.55 175.89 2gqh s SER 53 N -0.70 4.85 0.27 2.29 0.15 -0.42 -2.93 113.70 117.20 2gqh s SER 53 Ca 0.10 -2.68 -0.29 0.00 0.70 0.00 0.00 55.95 53.77 2gqh s SER 53 Cb -0.09 -1.74 -0.09 0.00 -1.71 0.00 0.00 66.02 62.38 2gqh s SER 53 CO -0.00 -0.35 0.96 -0.76 1.20 0.00 0.00 173.24 174.29 2gqh s LEU 54 N 0.18 4.55 -0.21 3.45 2.01 -1.26 -2.78 118.68 124.62 2gqh s LEU 54 Ca 0.15 1.96 -0.28 0.00 0.01 0.00 0.00 54.13 55.97 2gqh s LEU 54 Cb -0.22 -3.72 0.12 0.00 0.01 0.00 0.00 46.19 42.38 2gqh s LEU 54 CO -0.03 0.05 1.00 0.00 1.01 0.00 0.00 176.35 178.39 2gqh s ARG 55 N -1.45 0.57 0.23 1.70 3.03 -1.07 -5.03 118.95 116.93 2gqh s ARG 55 Ca 0.44 0.36 -0.16 0.00 2.03 0.00 0.00 55.73 58.40 2gqh s ARG 55 Cb -0.25 0.27 0.01 0.00 -1.03 0.00 0.00 34.95 33.95 2gqh s ARG 55 CO 0.31 -0.13 0.53 1.14 -1.13 0.00 0.00 175.30 176.02 2gqh s GLN 56 N -0.48 1.51 -0.16 3.89 -2.07 -1.26 -1.38 119.66 119.72 2gqh s GLN 56 Ca 0.00 -1.05 0.15 0.00 -1.82 0.00 0.00 55.36 52.63 2gqh s GLN 56 Cb -0.03 0.51 0.42 0.00 -1.09 0.00 0.00 33.01 32.82 2gqh s GLN 56 CO -0.02 -0.64 1.21 -3.47 -1.32 0.00 0.00 175.29 171.04 2gqh n ASP 57 N -0.37 1.55 0.00 12.60 2.03 -1.00 -5.02 116.55 126.33 2gqh n ASP 57 Ca -0.05 -3.43 0.00 0.00 0.52 0.00 0.00 54.79 51.82 2gqh n ASP 57 Cb 0.62 -0.47 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 2gqh n ASP 57 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2gqh n GLY 58 N -0.74 1.42 0.10 0.27 0.00 -1.26 -4.66 105.19 100.32 2gqh n GLY 58 Ca 0.16 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 45.11 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 0.00 0.40 -2.15 4.61 0.00 -1.90 -3.36 119.26 116.86 2gqh h ALA 59 Ca 0.00 -0.82 -0.65 0.00 0.00 0.00 0.00 54.91 53.44 2gqh h ALA 59 Cb 0.00 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 17.55 2gqh h ALA 59 CO 0.00 1.05 0.16 0.08 0.00 0.00 0.00 179.25 180.54 2gqh s VAL 60 N -2.93 4.79 0.33 0.00 1.01 -1.26 -2.45 120.40 119.89 2gqh s VAL 60 Ca -0.01 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.12 2gqh s VAL 60 Cb 0.10 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 2gqh s VAL 60 CO 0.83 -0.63 0.51 0.00 0.00 0.00 0.00 175.10 175.80 2gqh s GLU 62 N -4.25 0.36 -0.09 0.00 2.12 -0.48 -2.62 118.70 113.75 2gqh s GLU 62 Ca 0.40 0.53 0.04 0.00 0.36 0.00 0.00 54.97 56.30 2gqh s GLU 62 Cb -0.09 0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.40 2gqh s GLU 62 CO 0.34 -0.08 -0.22 -1.17 -0.54 0.00 0.00 175.26 173.58 2gqh s LEU 63 N 0.56 2.02 -0.26 2.70 2.96 -0.56 -2.61 118.68 123.49 2gqh s LEU 63 Ca -0.03 -0.51 0.00 0.00 -0.22 0.00 0.00 54.13 53.37 2gqh s LEU 63 Cb -0.05 -1.31 0.04 0.00 0.50 0.00 0.00 46.19 45.38 2gqh s LEU 63 CO -0.03 0.15 -0.08 -1.10 -1.32 0.00 0.00 176.35 173.97 2gqh s GLN 64 N 0.31 2.52 -0.47 1.98 -1.52 -1.12 -1.75 119.66 119.62 2gqh s GLN 64 Ca -0.16 -1.18 -0.17 0.00 -1.95 0.00 0.00 55.36 51.90 2gqh s GLN 64 Cb -0.17 -2.96 0.05 0.00 -0.22 0.00 0.00 33.01 29.72 2gqh s GLN 64 CO 0.07 -0.50 0.47 0.42 -0.25 0.00 0.00 175.29 175.50 2gqh s ILE 65 N 1.22 5.09 0.03 1.08 1.01 -0.73 -1.30 121.20 127.60 2gqh s ILE 65 Ca -0.04 -0.69 -0.29 0.00 0.00 0.00 0.00 60.65 59.63 2gqh s ILE 65 Cb -0.18 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 2gqh s ILE 65 CO -0.05 -0.59 0.94 -1.00 0.00 0.00 0.00 174.94 174.24 2gqh s HIS 66 N 2.07 3.71 -0.02 3.97 3.76 -1.01 -2.64 115.29 125.13 2gqh s HIS 66 Ca 0.09 1.69 -0.00 0.00 -0.15 0.00 0.00 55.06 56.69 2gqh s HIS 66 Cb -0.21 -3.06 0.00 0.00 1.11 0.00 0.00 32.58 30.43 2gqh s HIS 66 CO 0.10 0.09 0.00 0.41 -0.85 0.00 0.00 174.74 174.49 2gqh n GLY 67 N 2.67 -2.96 3.91 -2.22 0.00 -1.25 -4.87 105.19 100.47 2gqh n GLY 67 Ca 0.04 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.08 4.34 0.28 0.99 1.43 -1.15 -4.90 118.68 119.59 2gqh s LEU 68 Ca -0.01 0.36 -0.20 0.00 -1.03 0.00 0.00 54.13 53.25 2gqh s LEU 68 Cb 0.00 -3.02 0.05 0.00 0.03 0.00 0.00 46.19 43.25 2gqh s LEU 68 CO 0.05 0.15 0.83 0.00 0.23 0.00 0.00 176.35 177.61 2gqh s ALA 69 N -1.53 -1.20 0.13 4.21 0.00 -1.26 -1.61 121.76 120.50 2gqh s ALA 69 Ca 0.36 -0.38 -0.30 0.00 0.00 0.00 0.00 51.96 51.64 2gqh s ALA 69 Cb -0.13 0.74 -0.07 0.00 0.00 0.00 0.00 23.12 23.66 2gqh s ALA 69 CO 0.26 -1.03 1.57 0.52 0.00 0.00 0.00 175.76 177.09 2gqh h MET 70 N 2.00 -0.50 -0.96 0.00 2.86 -1.97 -0.97 114.93 115.38 2gqh h MET 70 Ca -0.26 0.03 0.30 0.00 -2.06 0.00 0.00 59.70 57.72 2gqh h MET 70 Cb 1.24 0.11 -0.17 0.00 0.06 0.00 0.00 31.60 32.85 2gqh h MET 70 CO 0.31 -0.33 0.22 0.00 1.06 0.00 0.00 176.91 178.17 2gqh h ALA 71 N 0.00 1.46 -0.86 6.32 0.00 -2.00 0.67 119.26 124.84 2gqh h ALA 71 Ca 0.07 0.29 0.19 0.00 0.00 0.00 0.00 54.91 55.45 2gqh h ALA 71 Cb 0.65 0.44 -0.11 0.00 0.00 0.00 0.00 17.79 18.77 2gqh h ALA 71 CO -0.41 -0.63 0.38 -0.44 0.00 0.00 0.00 179.25 178.15 2gqh h ASP 72 N 0.07 0.35 -0.91 0.00 5.19 -1.58 -3.40 116.42 116.15 2gqh h ASP 72 Ca 0.65 0.13 -0.70 0.00 -0.62 0.00 0.00 57.03 56.49 2gqh h ASP 72 Cb 1.45 0.10 -0.02 0.00 0.18 0.00 0.00 39.33 41.05 2gqh h ASP 72 CO -0.80 0.06 1.32 0.59 -3.12 0.00 0.00 179.24 177.28 2gqh n ASN 73 N -5.01 1.86 0.00 6.45 3.02 0.23 -4.60 115.26 117.22 2gqh n ASN 73 Ca 0.20 0.57 0.00 0.00 -0.03 0.00 0.00 54.58 55.32 2gqh n ASN 73 Cb 0.57 -1.16 0.00 0.00 -0.61 0.00 0.00 39.78 38.58 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 6.41 0.25 3.11 7.41 0.00 -1.26 -5.05 105.19 116.06 2gqh n GLY 74 Ca 0.42 0.48 -0.13 0.00 0.00 0.00 0.00 46.02 46.79 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 2.57 0.01 0.02 1.61 0.11 -1.26 -3.49 120.40 119.97 2gqh s VAL 75 Ca 0.00 -0.06 0.09 0.00 -2.93 0.00 0.00 61.98 59.07 2gqh s VAL 75 Cb 0.00 -0.33 -0.03 0.00 -1.53 0.00 0.00 36.38 34.49 2gqh s VAL 75 CO 0.00 -0.03 -0.26 -0.31 -3.33 0.00 0.00 175.10 171.17 2gqh s TYR 76 N -0.03 2.34 0.19 1.54 1.51 -0.48 -4.44 117.35 117.98 2gqh s TYR 76 Ca -0.01 -0.41 0.11 0.00 -1.01 0.00 0.00 57.07 55.74 2gqh s TYR 76 Cb -0.02 -1.43 -0.04 0.00 -0.11 0.00 0.00 41.96 40.36 2gqh s TYR 76 CO 0.01 0.08 -0.19 -1.54 -1.11 0.00 0.00 175.55 172.79 2gqh s SER 77 N -1.04 3.72 -0.15 2.29 1.04 -1.04 -0.89 113.70 117.62 2gqh s SER 77 Ca 0.11 -0.77 -0.02 0.00 0.48 0.00 0.00 55.95 55.75 2gqh s SER 77 Cb -0.10 -0.42 0.05 0.00 0.10 0.00 0.00 66.02 65.65 2gqh s SER 77 CO 0.01 0.12 0.03 0.00 0.98 0.00 0.00 173.24 174.37 2gqh s VAL 79 N 1.91 5.14 -0.24 0.00 1.01 0.84 -2.33 120.40 126.73 2gqh s VAL 79 Ca 0.01 -0.13 0.18 0.00 0.00 0.00 0.00 61.98 62.04 2gqh s VAL 79 Cb -0.15 -3.57 -0.25 0.00 0.00 0.00 0.00 36.38 32.40 2gqh s VAL 79 CO -0.07 0.09 0.49 0.00 0.00 0.00 0.00 175.10 175.61 2gqh n GLY 81 N 1.46 -1.86 0.20 0.00 0.00 -1.26 -4.21 105.19 99.52 2gqh n GLY 81 Ca -0.01 0.60 -0.20 0.00 0.00 0.00 0.00 46.02 46.41 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 0.51 -3.35 1.61 1.13 -1.26 -4.99 117.38 111.02 2gqh n GLN 82 Ca 0.00 0.17 -0.32 0.00 -1.94 0.00 0.00 57.00 54.91 2gqh n GLN 82 Cb 0.00 -1.37 -0.06 0.00 0.11 0.00 0.00 30.24 28.92 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 3.86 -0.17 -1.09 0.41 -1.26 -5.08 118.70 112.95 2gqh s GLU 83 Ca -0.30 0.38 -0.02 0.00 -0.41 0.00 0.00 54.97 54.62 2gqh s GLU 83 Cb 0.10 -2.63 0.05 0.00 -1.78 0.00 0.00 34.13 29.87 2gqh s GLU 83 CO 0.45 0.30 0.01 -0.98 -0.49 0.00 0.00 175.26 174.54 2gqh s ARG 84 N -2.78 0.85 0.22 1.61 1.70 -1.26 -3.51 118.95 115.79 2gqh s ARG 84 Ca 0.48 -0.37 -0.05 0.00 -0.47 0.00 0.00 55.73 55.32 2gqh s ARG 84 Cb -0.11 -1.90 -0.06 0.00 -0.57 0.00 0.00 34.95 32.31 2gqh s ARG 84 CO 0.20 -0.53 0.48 -0.08 -1.08 0.00 0.00 175.30 174.29 2gqh s THR 85 N 1.81 5.07 0.15 4.99 -1.32 -0.99 -4.86 115.64 120.49 2gqh s THR 85 Ca 0.00 0.07 0.04 0.00 -1.21 0.00 0.00 61.69 60.60 2gqh s THR 85 Cb -0.16 -3.68 -0.04 0.00 -1.51 0.00 0.00 72.50 67.11 2gqh s THR 85 CO -0.07 -0.15 -0.10 -0.44 -2.21 0.00 0.00 174.62 171.65 2gqh s SER 86 N -2.79 1.75 0.08 8.08 0.01 -1.26 -0.15 113.70 119.42 2gqh s SER 86 Ca 0.43 -1.02 -0.11 0.00 1.31 0.00 0.00 55.95 56.57 2gqh s SER 86 Cb -0.11 -0.00 0.01 0.00 0.21 0.00 0.00 66.02 66.12 2gqh s SER 86 CO 0.26 -0.34 0.23 0.00 0.41 0.00 0.00 173.24 173.81 2gqh s ALA 87 N -3.35 -0.41 -0.11 1.44 0.00 -0.07 -4.66 121.76 114.60 2gqh s ALA 87 Ca 0.17 -0.39 -0.01 0.00 0.00 0.00 0.00 51.96 51.73 2gqh s ALA 87 Cb 0.03 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.57 2gqh s ALA 87 CO 0.00 -0.48 -0.06 0.99 0.00 0.00 0.00 175.76 176.21 2gqh s THR 88 N -3.41 3.75 0.13 0.00 2.01 -1.26 -1.38 115.64 115.48 2gqh s THR 88 Ca 0.01 -0.43 0.06 0.00 0.31 0.00 0.00 61.69 61.64 2gqh s THR 88 Cb 0.02 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 2gqh s THR 88 CO -0.09 0.55 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.16 2gqh s LEU 89 N -0.20 3.36 -0.15 4.42 2.96 -1.23 -2.58 118.68 125.27 2gqh s LEU 89 Ca 0.03 -0.29 -0.02 0.00 -0.22 0.00 0.00 54.13 53.63 2gqh s LEU 89 Cb -0.13 -2.07 0.05 0.00 0.50 0.00 0.00 46.19 44.54 2gqh s LEU 89 CO 0.03 0.14 0.01 -0.89 -1.32 0.00 0.00 176.35 174.31 2gqh s THR 90 N -1.46 0.60 -0.15 3.68 2.01 -1.07 -4.12 115.64 115.12 2gqh s THR 90 Ca 0.26 -0.34 -0.05 0.00 0.31 0.00 0.00 61.69 61.87 2gqh s THR 90 Cb -0.11 -0.92 -0.03 0.00 0.01 0.00 0.00 72.50 71.45 2gqh s THR 90 CO 0.18 0.02 0.01 -0.69 -0.69 0.00 0.00 174.62 173.45 2gqh s VAL 91 N 1.85 4.34 -0.10 3.82 1.01 -1.26 -1.57 120.40 128.49 2gqh s VAL 91 Ca 0.01 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 61.82 2gqh s VAL 91 Cb -0.15 -2.90 -0.00 0.00 0.00 0.00 0.00 36.38 33.32 2gqh s VAL 91 CO -0.07 0.51 -0.23 -0.13 0.00 0.00 0.00 175.10 175.18 2gqh s ARG 92 N 0.06 3.06 0.75 2.72 0.52 -1.11 -4.88 118.95 120.07 2gqh s ARG 92 Ca 0.03 -0.86 -0.14 0.00 -0.52 0.00 0.00 55.73 54.24 2gqh s ARG 92 Cb -0.13 -2.33 0.05 0.00 0.52 0.00 0.00 34.95 33.06 2gqh s ARG 92 CO 0.02 0.20 1.18 0.00 0.02 0.00 0.00 175.30 176.71 2gqh s ALA 93 N 0.31 2.06 0.32 2.13 0.00 -1.26 -1.11 121.76 124.21 2gqh s ALA 93 Ca -0.17 0.76 -0.11 0.00 0.00 0.00 0.00 51.96 52.44 2gqh s ALA 93 Cb -0.18 -3.44 -0.07 0.00 0.00 0.00 0.00 23.12 19.43 2gqh s ALA 93 CO 0.08 -1.95 0.68 -0.51 0.00 0.00 0.00 175.76 174.07 2gqh s LEU 94 N -5.39 4.02 0.08 0.00 2.01 -1.26 -4.83 118.68 113.30 2gqh s LEU 94 Ca 0.72 1.08 -0.31 0.00 0.01 0.00 0.00 54.13 55.63 2gqh s LEU 94 Cb -0.27 -3.90 -0.07 0.00 0.01 0.00 0.00 46.19 41.97 2gqh s LEU 94 CO 0.47 -0.23 1.39 -2.16 1.01 0.00 0.00 176.35 176.83 2gqh s PRO 95 N -3.26 4.31 0.68 1.29 0.04 -1.26 -5.01 135.00 131.79 2gqh s PRO 95 Ca 0.50 2.03 -0.12 0.00 0.04 0.00 0.00 61.00 63.45 2gqh s PRO 95 Cb -0.11 -3.36 0.01 0.00 0.04 0.00 0.00 34.50 31.08 2gqh s PRO 95 CO 0.24 -0.47 1.07 0.00 0.04 0.00 0.00 177.00 177.88 2gqh s ALA 96 N 1.51 2.59 -0.30 8.56 0.00 -1.26 -4.94 121.76 127.92 2gqh s ALA 96 Ca 0.64 0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.85 2gqh s ALA 96 Cb -0.35 -3.22 0.34 0.00 0.00 0.00 0.00 23.12 19.89 2gqh s ALA 96 CO 0.29 -1.23 1.70 2.89 0.00 0.00 0.00 175.76 179.41 2gqh n ARG 97 N -2.88 1.80 -2.59 0.00 1.85 -1.26 -4.94 116.66 108.65 2gqh n ARG 97 Ca 0.08 -1.78 -0.42 0.00 -1.00 0.00 0.00 57.85 54.74 2gqh n ARG 97 Cb 0.53 -1.70 -0.03 0.00 -1.05 0.00 0.00 32.46 30.21 2gqh n ARG 97 CO 0.00 0.00 0.00 -0.59 -0.01 0.00 0.00 177.63 177.03 2gqh s PHE 98 N -1.99 3.61 -0.25 2.89 -0.71 -1.26 -5.03 117.98 115.24 2gqh s PHE 98 Ca 0.34 1.58 -0.11 0.00 -1.04 0.00 0.00 56.93 57.70 2gqh s PHE 98 Cb 0.28 -3.23 -0.05 0.00 -1.21 0.00 0.00 43.02 38.81 2gqh s PHE 98 CO 0.04 -0.48 0.17 -1.50 -1.34 0.00 0.00 175.22 172.11 2gqh s ILE 99 N 0.59 5.35 -0.10 -4.49 2.07 -1.26 -5.00 121.20 118.36 2gqh s ILE 99 Ca 0.53 0.19 -0.01 0.00 -1.41 0.00 0.00 60.65 59.95 2gqh s ILE 99 Cb -0.26 -3.51 -0.00 0.00 0.13 0.00 0.00 42.46 38.82 2gqh s ILE 99 CO 0.30 0.32 -0.02 -0.08 -1.91 0.00 0.00 174.94 173.55 2gqh h GLU 100 N 7.67 0.00 -6.80 3.50 4.57 -2.02 -3.47 114.58 118.03 2gqh h GLU 100 Ca -0.37 0.00 -0.54 0.00 -1.18 0.00 0.00 59.36 57.27 2gqh h GLU 100 Cb 1.17 0.00 0.20 0.00 -0.16 0.00 0.00 28.75 29.97 2gqh h GLU 100 CO 0.64 0.00 -0.40 -0.40 -1.18 0.00 0.00 179.01 177.66 2gqh n ASP 101 N -4.72 -1.42 -0.04 1.04 5.75 -1.26 -4.96 116.55 110.94 2gqh n ASP 101 Ca -0.01 0.44 -0.22 0.00 -0.01 0.00 0.00 54.79 54.99 2gqh n ASP 101 Cb 0.04 -1.25 -0.13 0.00 -1.03 0.00 0.00 41.12 38.75 2gqh n ASP 101 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2gqh n SER 102 N -1.29 2.01 0.00 -1.12 7.64 -1.26 -5.08 113.62 114.53 2gqh n SER 102 Ca 0.09 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.27 2gqh n SER 102 Cb 0.52 -0.92 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 2gqh n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gqh n GLY 103 N 1.74 1.30 3.77 0.23 0.00 -1.26 -5.09 105.19 105.88 2gqh n GLY 103 Ca -0.32 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.81 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 0.00 4.37 -0.15 1.61 0.04 -1.26 -5.03 135.00 134.58 2gqh s PRO 104 Ca 0.00 2.02 -0.05 0.00 0.04 0.00 0.00 61.00 63.01 2gqh s PRO 104 Cb 0.00 -3.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.48 2gqh s PRO 104 CO 0.00 -0.10 0.01 -1.12 0.04 0.00 0.00 177.00 175.83 2gqh s SER 105 N -0.73 5.20 -0.32 6.66 0.01 -1.26 -5.04 113.70 118.22 2gqh s SER 105 Ca 0.49 0.00 -0.32 0.00 1.31 0.00 0.00 55.95 57.43 2gqh s SER 105 Cb -0.36 -1.81 -0.09 0.00 0.21 0.00 0.00 66.02 63.97 2gqh s SER 105 CO 0.47 0.21 2.22 -1.54 0.41 0.00 0.00 173.24 175.00 2gqh n SER 106 N 3.29 2.47 0.00 2.44 3.41 -1.26 -5.30 113.62 118.68 2gqh n SER 106 Ca -0.17 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 2gqh n SER 106 Cb 0.53 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 2gqh n SER 106 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49