#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qp1 n ILE 2 N 0.00 1.53 -2.73 3.17 -0.00 -1.26 -4.85 119.36 115.22 2qp1 n ILE 2 Ca 0.00 -3.09 -0.08 0.00 -0.00 0.00 0.00 62.75 59.59 2qp1 n ILE 2 Cb 0.00 0.51 0.07 0.00 -0.00 0.00 0.00 39.64 40.23 2qp1 n ILE 2 CO 0.00 0.00 0.00 -2.11 -0.00 0.00 0.00 176.55 174.44 2qp1 n ARG 3 N -0.54 0.76 -1.52 6.28 0.00 -1.26 -5.14 116.66 115.24 2qp1 n ARG 3 Ca 0.18 -1.62 -0.40 0.00 -0.00 0.00 0.00 57.85 56.00 2qp1 n ARG 3 Cb 0.88 -1.08 0.02 0.00 -0.00 0.00 0.00 32.46 32.29 2qp1 n ARG 3 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2qp1 n GLU 4 N 1.05 0.80 0.24 2.89 0.00 -1.26 -4.46 120.64 119.89 2qp1 n GLU 4 Ca 0.06 0.30 0.10 0.00 0.00 0.00 0.00 57.16 57.62 2qp1 n GLU 4 Cb 0.67 -1.78 0.54 0.00 0.00 0.00 0.00 31.44 30.88 2qp1 n GLU 4 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 2qp1 h GLU 5 N 0.81 0.00 0.00 5.31 4.11 -2.01 0.88 114.58 123.67 2qp1 h GLU 5 Ca -0.44 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.97 2qp1 h GLU 5 Cb 1.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.63 2qp1 h GLU 5 CO 0.52 0.00 -0.11 -0.09 0.07 0.00 0.00 179.01 179.39 2qp1 h ARG 6 N 0.00 0.00 0.00 1.06 1.12 -2.06 -2.54 114.38 111.97 2qp1 h ARG 6 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2qp1 h ARG 6 Cb 0.64 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.60 2qp1 h ARG 6 CO 0.00 0.11 -1.35 -0.11 -3.11 0.00 0.00 179.97 175.51 2qp1 n LEU 7 N -3.40 0.12 -4.52 3.80 -0.00 0.29 -4.89 117.00 108.41 2qp1 n LEU 7 Ca -0.01 -0.11 -0.42 0.00 -0.00 0.00 0.00 56.01 55.47 2qp1 n LEU 7 Cb 0.29 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.67 2qp1 n LEU 7 CO 0.29 0.03 1.04 -0.76 -0.00 0.00 0.00 177.39 177.99 2qp1 s LEU 8 N -3.58 3.57 0.00 -1.96 1.43 -0.60 -4.23 118.68 113.31 2qp1 s LEU 8 Ca -0.03 -0.65 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 2qp1 s LEU 8 Cb 0.08 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.79 2qp1 s LEU 8 CO 0.51 -1.70 0.00 2.29 0.23 0.00 0.00 176.35 177.68 2qp1 n LYS 9 N 8.81 0.00 -0.34 1.70 0.00 -1.26 -4.83 118.16 122.23 2qp1 n LYS 9 Ca 0.01 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.37 2qp1 n LYS 9 Cb 0.48 0.00 0.11 0.00 -0.00 0.00 0.00 35.03 35.62 2qp1 n LYS 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2qp1 n VAL 10 N 0.00 -0.42 -1.48 0.58 0.31 -1.26 -3.71 118.33 112.36 2qp1 n VAL 10 Ca 0.00 2.16 -0.12 0.00 -0.01 0.00 0.00 64.34 66.38 2qp1 n VAL 10 Cb 0.18 -2.97 -0.10 0.00 -0.91 0.00 0.00 33.84 30.04 2qp1 n VAL 10 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2qp1 n LEU 11 N -5.50 0.72 0.27 7.52 7.99 -1.26 -4.04 117.00 122.70 2qp1 n LEU 11 Ca 0.14 -2.25 0.17 0.00 -0.01 0.00 0.00 56.01 54.06 2qp1 n LEU 11 Cb 0.45 -1.52 0.66 0.00 -0.11 0.00 0.00 43.42 42.90 2qp1 n LEU 11 CO -0.12 -3.28 0.99 0.03 -1.51 0.00 0.00 177.39 173.50 2qp1 h ARG 12 N 11.25 0.00 -1.13 3.23 3.08 -1.62 -3.46 114.38 125.74 2qp1 h ARG 12 Ca 0.00 0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.23 2qp1 h ARG 12 Cb 1.00 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 30.73 2qp1 h ARG 12 CO 1.01 0.00 0.84 0.00 -1.07 0.00 0.00 179.97 180.75 2qp1 s ALA 13 N -3.64 -2.19 -0.25 0.04 0.00 -0.94 -5.05 121.76 109.73 2qp1 s ALA 13 Ca 0.01 1.71 -0.26 0.00 0.00 0.00 0.00 51.96 53.42 2qp1 s ALA 13 Cb 0.09 -1.73 0.00 0.00 0.00 0.00 0.00 23.12 21.48 2qp1 s ALA 13 CO 0.55 -0.12 0.90 -1.25 0.00 0.00 0.00 175.76 175.84 2qp1 s PRO 14 N -0.00 4.19 0.00 0.00 0.04 -1.26 0.69 135.00 138.66 2qp1 s PRO 14 Ca 0.07 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.17 2qp1 s PRO 14 Cb -0.05 -3.65 0.00 0.00 0.04 0.00 0.00 34.50 30.84 2qp1 s PRO 14 CO -0.14 -0.58 0.28 1.58 0.04 0.00 0.00 177.00 178.18 2qp1 n HIS 15 N 6.15 0.00 -3.09 0.56 -0.00 -1.24 -4.77 115.22 112.83 2qp1 n HIS 15 Ca 0.08 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.12 2qp1 n HIS 15 Cb 0.47 -0.29 0.01 0.00 -0.12 0.00 0.00 29.99 30.06 2qp1 n HIS 15 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 2qp1 n VAL 16 N -1.38 -2.44 -3.94 3.57 0.31 -1.25 -4.99 118.33 108.21 2qp1 n VAL 16 Ca 0.00 0.31 -0.10 0.00 -0.01 0.00 0.00 64.34 64.55 2qp1 n VAL 16 Cb 0.00 -2.91 -0.10 0.00 -0.91 0.00 0.00 33.84 29.92 2qp1 n VAL 16 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2qp1 s SER 17 N -1.07 0.18 0.26 4.52 0.01 -1.26 -4.89 113.70 111.45 2qp1 s SER 17 Ca 0.13 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.92 2qp1 s SER 17 Cb -0.01 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.40 2qp1 s SER 17 CO 0.30 -0.42 0.00 -0.62 0.41 0.00 0.00 173.24 172.91 2qp1 n GLU 18 N 1.15 -1.81 -0.01 12.44 1.02 -1.26 -3.40 120.64 128.77 2qp1 n GLU 18 Ca -0.21 1.29 0.00 0.00 -0.02 0.00 0.00 57.16 58.22 2qp1 n GLU 18 Cb 0.57 -2.31 0.00 0.00 -0.02 0.00 0.00 31.44 29.68 2qp1 n GLU 18 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2qp1 n LYS 19 N -3.12 0.02 0.00 3.49 4.81 -1.26 -3.64 118.16 118.45 2qp1 n LYS 19 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 2qp1 n LYS 19 Cb 0.61 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 34.16 2qp1 n LYS 19 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qp1 n ALA 20 N 1.77 1.03 -0.31 3.14 0.00 -1.24 -4.45 120.51 120.45 2qp1 n ALA 20 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2qp1 n ALA 20 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.45 2qp1 n ALA 20 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qp1 h SER 21 N 0.00 -1.50 -0.57 0.00 4.64 -1.62 0.76 113.55 115.26 2qp1 h SER 21 Ca 0.00 0.28 0.07 0.00 -0.47 0.00 0.00 61.79 61.67 2qp1 h SER 21 Cb 0.00 0.73 -0.06 0.00 -0.31 0.00 0.00 62.40 62.76 2qp1 h SER 21 CO 0.00 -0.30 0.26 0.71 -0.87 0.00 0.00 176.83 176.63 2qp1 h THR 22 N -0.09 0.88 -0.90 2.95 1.35 -1.79 1.87 112.91 117.18 2qp1 h THR 22 Ca 0.25 -0.16 0.07 0.00 -0.55 0.00 0.00 66.41 66.02 2qp1 h THR 22 Cb 0.56 0.36 -0.07 0.00 -1.73 0.00 0.00 68.15 67.27 2qp1 h THR 22 CO -0.84 0.09 0.56 0.00 -0.25 0.00 0.00 175.52 175.08 2qp1 h ALA 23 N 1.34 1.27 0.13 6.62 0.00 -0.33 1.25 119.26 129.55 2qp1 h ALA 23 Ca 0.27 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2qp1 h ALA 23 Cb 0.24 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2qp1 h ALA 23 CO -0.22 0.29 -0.06 0.52 0.00 0.00 0.00 179.25 179.77 2qp1 h MET 24 N 1.00 -0.17 -0.67 0.00 2.86 0.27 -3.13 114.93 115.08 2qp1 h MET 24 Ca 0.41 0.01 0.12 0.00 -2.06 0.00 0.00 59.70 58.18 2qp1 h MET 24 Cb 0.23 0.04 -0.09 0.00 0.06 0.00 0.00 31.60 31.84 2qp1 h MET 24 CO -0.19 0.18 0.23 1.49 1.06 0.00 0.00 176.91 179.68 2qp1 h GLU 25 N -0.56 0.36 -1.29 1.72 4.57 0.39 1.94 114.58 121.71 2qp1 h GLU 25 Ca -0.02 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2qp1 h GLU 25 Cb 0.44 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 2qp1 h GLU 25 CO 0.03 0.24 0.00 1.63 -1.18 0.00 0.00 179.01 179.73 2qp1 n LYS 26 N -5.04 0.65 0.00 1.92 4.76 0.42 -1.95 118.16 118.92 2qp1 n LYS 26 Ca 0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 2qp1 n LYS 26 Cb 0.35 -1.19 0.00 0.00 -1.84 0.00 0.00 35.03 32.36 2qp1 n LYS 26 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2qp1 n SER 27 N 0.63 0.00 0.00 4.39 2.88 0.16 -4.99 113.62 116.68 2qp1 n SER 27 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2qp1 n SER 27 Cb 0.31 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 2qp1 n SER 27 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2qp1 n ASN 28 N -1.12 0.00 -1.03 -3.46 6.94 0.61 -5.09 115.26 112.10 2qp1 n ASN 28 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 54.58 54.67 2qp1 n ASN 28 Cb 0.00 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.39 2qp1 n ASN 28 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2qp1 n THR 29 N 9.00 0.00 -3.31 5.53 -2.24 -1.26 -2.06 114.28 119.94 2qp1 n THR 29 Ca 0.00 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 2qp1 n THR 29 Cb 0.00 -0.27 -0.04 0.00 -2.10 0.00 0.00 70.33 67.92 2qp1 n THR 29 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2qp1 s ILE 30 N -1.37 -0.34 0.29 2.28 2.07 -1.26 -4.46 121.20 118.41 2qp1 s ILE 30 Ca 0.00 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.27 2qp1 s ILE 30 Cb 0.00 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.56 2qp1 s ILE 30 CO 0.00 0.00 0.45 0.68 -1.91 0.00 0.00 174.94 174.16 2qp1 s VAL 31 N 2.35 5.11 0.00 4.00 -7.23 -1.26 -0.26 120.40 123.11 2qp1 s VAL 31 Ca -0.01 -0.77 0.00 0.00 -1.81 0.00 0.00 61.98 59.39 2qp1 s VAL 31 Cb -0.05 -3.83 0.00 0.00 0.56 0.00 0.00 36.38 33.06 2qp1 s VAL 31 CO -0.17 -0.41 0.00 0.00 -0.31 0.00 0.00 175.10 174.21 2qp1 n LEU 32 N -1.59 0.00 -4.67 1.32 -0.00 -1.26 -3.71 117.00 107.09 2qp1 n LEU 32 Ca -0.07 0.00 -0.48 0.00 -0.00 0.00 0.00 56.01 55.46 2qp1 n LEU 32 Cb 0.57 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.94 2qp1 n LEU 32 CO 0.46 0.00 1.26 1.17 -0.00 0.00 0.00 177.39 180.29 2qp1 n LYS 33 N -0.06 1.94 -2.97 1.47 4.81 0.22 -2.73 118.16 120.85 2qp1 n LYS 33 Ca 0.00 0.71 -0.21 0.00 -0.87 0.00 0.00 58.31 57.94 2qp1 n LYS 33 Cb 0.00 -2.48 -0.02 0.00 0.02 0.00 0.00 35.03 32.55 2qp1 n LYS 33 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 2qp1 n VAL 34 N 3.97 1.34 -3.24 3.15 0.24 -1.13 -2.20 118.33 120.46 2qp1 n VAL 34 Ca 0.20 -4.78 0.00 0.00 -2.04 0.00 0.00 64.34 57.72 2qp1 n VAL 34 Cb 0.26 -0.63 0.00 0.00 -1.47 0.00 0.00 33.84 32.00 2qp1 n VAL 34 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qp1 n ALA 35 N -0.02 0.00 0.00 2.33 0.00 -1.26 -4.36 120.51 117.21 2qp1 n ALA 35 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2qp1 n ALA 35 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 2qp1 n ALA 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2qp1 n LYS 36 N 13.91 0.00 0.14 0.00 0.00 -1.26 -0.20 118.16 130.74 2qp1 n LYS 36 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 58.31 58.25 2qp1 n LYS 36 Cb 0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 35.03 34.56 2qp1 n LYS 36 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2qp1 h ASP 37 N 0.00 -0.32 0.00 3.14 3.45 -2.00 -3.47 116.42 117.22 2qp1 h ASP 37 Ca 0.00 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.47 2qp1 h ASP 37 Cb 0.00 0.08 0.00 0.00 -0.56 0.00 0.00 39.33 38.85 2qp1 h ASP 37 CO 0.00 -0.11 0.00 0.00 -1.57 0.00 0.00 179.24 177.56 2qp1 n ALA 38 N -2.38 0.00 0.00 3.45 0.00 -1.26 -4.86 120.51 115.46 2qp1 n ALA 38 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2qp1 n ALA 38 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 2qp1 n ALA 38 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2qp1 n THR 39 N 0.00 0.00 0.00 0.00 5.66 -1.26 -4.94 114.28 113.73 2qp1 n THR 39 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2qp1 n THR 39 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2qp1 n THR 39 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2qp1 n LYS 40 N 0.00 0.00 -0.05 1.09 4.81 -1.26 -4.45 118.16 118.30 2qp1 n LYS 40 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.29 2qp1 n LYS 40 Cb 0.00 -0.34 -0.07 0.00 0.02 0.00 0.00 35.03 34.64 2qp1 n LYS 40 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qp1 h ALA 41 N 0.00 0.29 0.00 3.14 0.00 -1.95 -2.71 119.26 118.03 2qp1 h ALA 41 Ca 0.00 -0.46 -0.21 0.00 0.00 0.00 0.00 54.91 54.24 2qp1 h ALA 41 Cb 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2qp1 h ALA 41 CO 0.00 0.41 -1.25 1.05 0.00 0.00 0.00 179.25 179.46 2qp1 h GLU 42 N 0.26 0.00 0.00 0.00 4.11 -1.93 -3.16 114.58 113.87 2qp1 h GLU 42 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 2qp1 h GLU 42 Cb 1.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 2qp1 h GLU 42 CO 0.09 0.58 -0.01 0.97 0.07 0.00 0.00 179.01 180.71 2qp1 h ILE 43 N 0.00 0.14 0.25 -1.06 2.10 -1.87 0.48 117.51 117.55 2qp1 h ILE 43 Ca -0.14 -0.07 -0.01 0.00 1.08 0.00 0.00 64.86 65.72 2qp1 h ILE 43 Cb 1.74 1.06 0.00 0.00 -1.09 0.00 0.00 36.82 38.53 2qp1 h ILE 43 CO 0.08 0.01 -0.12 0.50 -1.08 0.00 0.00 178.15 177.54 2qp1 h LYS 44 N 0.00 -0.32 -0.16 2.19 3.64 -1.44 -2.92 116.57 117.55 2qp1 h LYS 44 Ca -0.00 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 2qp1 h LYS 44 Cb 0.06 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2qp1 h LYS 44 CO 0.00 -0.22 0.22 0.00 -2.27 0.00 0.00 179.45 177.18 2qp1 h ALA 45 N -1.20 1.70 0.10 5.00 0.00 -1.41 -0.13 119.26 123.31 2qp1 h ALA 45 Ca -0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2qp1 h ALA 45 Cb 0.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2qp1 h ALA 45 CO 0.06 -0.30 -0.05 0.00 0.00 0.00 0.00 179.25 178.96 2qp1 h ALA 46 N 1.72 -0.13 0.00 0.00 0.00 -0.04 0.92 119.26 121.72 2qp1 h ALA 46 Ca 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2qp1 h ALA 46 Cb 0.51 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2qp1 h ALA 46 CO -0.00 -0.53 0.00 0.28 0.00 0.00 0.00 179.25 179.00 2qp1 n VAL 47 N -5.11 0.70 -0.00 0.00 0.31 -0.16 -2.35 118.33 111.72 2qp1 n VAL 47 Ca -0.08 0.12 -0.00 0.00 -0.01 0.00 0.00 64.34 64.37 2qp1 n VAL 47 Cb 0.11 -0.89 -0.00 0.00 -0.91 0.00 0.00 33.84 32.15 2qp1 n VAL 47 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2qp1 h GLN 48 N 0.00 -0.00 -0.01 5.55 1.08 -0.29 -3.03 115.11 118.41 2qp1 h GLN 48 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2qp1 h GLN 48 Cb 0.40 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 2qp1 h GLN 48 CO 0.00 -0.00 -0.09 -0.22 -0.95 0.00 0.00 178.83 177.57 2qp1 h LYS 49 N -0.09 -0.10 -7.47 1.46 3.11 -0.94 -2.71 116.57 109.83 2qp1 h LYS 49 Ca -0.00 0.01 -0.48 0.00 -2.81 0.00 0.00 60.65 57.37 2qp1 h LYS 49 Cb 0.00 0.02 0.11 0.00 -1.00 0.00 0.00 32.23 31.36 2qp1 h LYS 49 CO 0.00 -0.07 0.35 -0.51 -2.81 0.00 0.00 179.45 176.41 2qp1 s LEU 50 N -5.95 2.51 0.00 5.20 2.01 -0.99 -3.60 118.68 117.86 2qp1 s LEU 50 Ca -0.03 1.13 0.00 0.00 0.01 0.00 0.00 54.13 55.25 2qp1 s LEU 50 Cb 0.01 -3.70 0.00 0.00 0.01 0.00 0.00 46.19 42.51 2qp1 s LEU 50 CO 0.10 -1.98 0.00 0.49 1.01 0.00 0.00 176.35 175.97 2qp1 n PHE 51 N -3.42 0.00 -3.41 0.29 3.01 -1.26 -4.29 117.46 108.38 2qp1 n PHE 51 Ca 0.07 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.33 2qp1 n PHE 51 Cb 0.58 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 40.11 2qp1 n PHE 51 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2qp1 n GLU 52 N 0.00 -2.63 -4.63 -1.08 1.02 -1.02 -5.02 120.64 107.28 2qp1 n GLU 52 Ca 0.00 0.75 -0.29 0.00 -0.02 0.00 0.00 57.16 57.60 2qp1 n GLU 52 Cb 0.00 -5.37 -0.10 0.00 -0.02 0.00 0.00 31.44 25.96 2qp1 n GLU 52 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2qp1 s VAL 53 N -3.43 1.48 -0.00 2.62 1.01 -1.15 -5.05 120.40 115.87 2qp1 s VAL 53 Ca 0.38 -2.00 -0.07 0.00 0.00 0.00 0.00 61.98 60.30 2qp1 s VAL 53 Cb -0.08 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 2qp1 s VAL 53 CO 0.77 0.00 0.63 -0.33 0.00 0.00 0.00 175.10 176.18 2qp1 h GLU 54 N 1.68 -0.23 -4.66 2.72 4.39 -1.89 -3.42 114.58 113.18 2qp1 h GLU 54 Ca -0.43 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.30 2qp1 h GLU 54 Cb 1.27 0.05 -0.10 0.00 -0.10 0.00 0.00 28.75 29.87 2qp1 h GLU 54 CO 0.75 -0.15 -1.32 0.28 -1.16 0.00 0.00 179.01 177.41 2qp1 n VAL 55 N -3.05-11.71 -0.09 3.13 0.31 -1.26 -4.73 118.33 100.94 2qp1 n VAL 55 Ca -0.03 2.49 -0.20 0.00 -0.01 0.00 0.00 64.34 66.59 2qp1 n VAL 55 Cb 0.09 -6.09 -0.12 0.00 -0.91 0.00 0.00 33.84 26.81 2qp1 n VAL 55 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2qp1 h GLU 56 N 3.57 0.02 0.00 5.55 4.81 -1.42 -3.42 114.58 123.69 2qp1 h GLU 56 Ca -0.43 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2qp1 h GLU 56 Cb 0.96 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.35 2qp1 h GLU 56 CO 0.01 1.02 0.00 1.55 -0.73 0.00 0.00 179.01 180.86 2qp1 n VAL 57 N -4.42 0.00 0.00 0.32 3.14 -1.21 -5.01 118.33 111.15 2qp1 n VAL 57 Ca -0.27 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.11 2qp1 n VAL 57 Cb 0.66 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.44 2qp1 n VAL 57 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 2qp1 n VAL 58 N 0.00 0.00 -3.77 1.55 3.14 -1.14 -4.42 118.33 113.68 2qp1 n VAL 58 Ca 0.00 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.01 2qp1 n VAL 58 Cb 0.00 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 32.65 2qp1 n VAL 58 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 2qp1 s ASN 59 N 0.00 5.07 0.31 6.55 0.01 0.22 -4.95 114.94 122.15 2qp1 s ASN 59 Ca 0.00 -0.67 0.05 0.00 -0.71 0.00 0.00 52.86 51.53 2qp1 s ASN 59 Cb 0.00 -1.87 -0.02 0.00 0.41 0.00 0.00 41.25 39.77 2qp1 s ASN 59 CO 0.00 -0.17 0.45 0.42 -1.51 0.00 0.00 177.10 176.29 2qp1 s THR 60 N 1.50 4.57 -0.28 1.60 -4.23 -1.24 -3.87 115.64 113.70 2qp1 s THR 60 Ca 0.03 -0.92 -0.23 0.00 -1.18 0.00 0.00 61.69 59.39 2qp1 s THR 60 Cb -0.17 -3.61 0.10 0.00 1.34 0.00 0.00 72.50 70.16 2qp1 s THR 60 CO 0.02 -0.26 0.85 -1.48 -0.54 0.00 0.00 174.62 173.21 2qp1 s LEU 61 N -4.14 -0.65 0.56 4.79 0.05 -1.24 -4.91 118.68 113.14 2qp1 s LEU 61 Ca 0.41 1.19 -0.09 0.00 0.05 0.00 0.00 54.13 55.69 2qp1 s LEU 61 Cb -0.09 2.18 -0.04 0.00 -2.05 0.00 0.00 46.19 46.18 2qp1 s LEU 61 CO 0.31 -0.20 0.94 -0.69 -0.55 0.00 0.00 176.35 176.16 2qp1 s VAL 62 N 0.62 4.77 -0.11 1.48 1.01 -1.26 -0.34 120.40 126.58 2qp1 s VAL 62 Ca -0.01 0.67 0.02 0.00 0.00 0.00 0.00 61.98 62.66 2qp1 s VAL 62 Cb -0.05 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.48 2qp1 s VAL 62 CO -0.06 -1.01 -0.18 -0.69 0.00 0.00 0.00 175.10 173.15 2qp1 s VAL 63 N -2.99 1.69 0.41 2.92 1.01 0.04 -4.92 120.40 118.56 2qp1 s VAL 63 Ca 0.53 -0.77 0.13 0.00 0.00 0.00 0.00 61.98 61.86 2qp1 s VAL 63 Cb -0.11 -1.51 0.33 0.00 0.00 0.00 0.00 36.38 35.10 2qp1 s VAL 63 CO 0.49 0.48 1.94 0.11 0.00 0.00 0.00 175.10 178.12 2qp1 h LYS 64 N 7.18 0.48 -3.12 2.72 6.56 -1.90 -3.28 116.57 125.21 2qp1 h LYS 64 Ca -0.29 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.27 2qp1 h LYS 64 Cb 1.19 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.75 2qp1 h LYS 64 CO 0.50 0.32 -0.45 0.41 -2.06 0.00 0.00 179.45 178.17 2qp1 n GLY 65 N -1.50 -4.24 3.47 3.86 0.00 -1.26 -4.61 105.19 100.90 2qp1 n GLY 65 Ca 0.13 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 2qp1 n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qp1 n LYS 66 N 0.84 -0.01 -3.83 1.61 5.02 -1.26 -4.48 118.16 116.05 2qp1 n LYS 66 Ca 0.00 0.05 -0.16 0.00 -2.02 0.00 0.00 58.31 56.18 2qp1 n LYS 66 Cb 0.00 -1.92 -0.16 0.00 -0.02 0.00 0.00 35.03 32.93 2qp1 n LYS 66 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qp1 s VAL 67 N -2.18 0.02 0.00 -0.18 0.11 -1.26 -1.17 120.40 115.73 2qp1 s VAL 67 Ca 0.62 0.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.84 2qp1 s VAL 67 Cb -0.27 -0.14 0.00 0.00 -1.53 0.00 0.00 36.38 34.44 2qp1 s VAL 67 CO 0.62 0.10 0.00 2.29 -3.33 0.00 0.00 175.10 174.78 2qp1 n LYS 68 N 4.12 0.00 -3.59 1.54 -0.00 0.77 -4.98 118.16 116.02 2qp1 n LYS 68 Ca -0.27 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.08 2qp1 n LYS 68 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.54 2qp1 n LYS 68 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2qp1 s ARG 69 N -2.00 0.00 0.48 -1.58 3.52 -1.26 -3.11 118.95 115.00 2qp1 s ARG 69 Ca 0.00 -0.00 -0.11 0.00 -0.13 0.00 0.00 55.73 55.49 2qp1 s ARG 69 Cb 0.00 0.00 -0.06 0.00 -1.56 0.00 0.00 34.95 33.33 2qp1 s ARG 69 CO 0.00 -0.00 0.87 -3.38 -0.81 0.00 0.00 175.30 171.98 2qp1 s HIS 70 N -2.00 3.51 0.07 5.12 0.00 -1.26 -4.83 115.29 115.90 2qp1 s HIS 70 Ca 0.16 1.15 0.00 0.00 -3.00 0.00 0.00 55.06 53.37 2qp1 s HIS 70 Cb 0.07 -2.55 0.00 0.00 -4.00 0.00 0.00 32.58 26.11 2qp1 s HIS 70 CO -0.07 -0.29 0.00 0.41 -1.00 0.00 0.00 174.74 173.79 2qp1 n GLY 71 N -1.76 -1.20 0.28 -1.38 0.00 -1.26 -3.86 105.19 96.00 2qp1 n GLY 71 Ca 0.04 -1.05 0.09 0.00 0.00 0.00 0.00 46.02 45.09 2qp1 n GLY 71 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2qp1 h GLN 72 N 0.00 0.07 -6.98 1.61 3.07 -2.08 -3.41 115.11 107.40 2qp1 h GLN 72 Ca 0.01 -0.00 -0.46 0.00 0.09 0.00 0.00 58.65 58.28 2qp1 h GLN 72 Cb 0.29 -0.02 -0.02 0.00 0.08 0.00 0.00 27.48 27.81 2qp1 h GLN 72 CO 0.00 0.05 0.27 1.03 0.09 0.00 0.00 178.83 180.27 2qp1 s ARG 73 N -5.12 4.11 0.04 0.06 1.81 -1.25 -5.08 118.95 113.52 2qp1 s ARG 73 Ca -0.05 0.95 -0.02 0.00 -1.72 0.00 0.00 55.73 54.89 2qp1 s ARG 73 Cb 0.17 -2.25 -0.03 0.00 -0.45 0.00 0.00 34.95 32.39 2qp1 s ARG 73 CO 0.68 -0.01 -0.01 -1.50 -0.68 0.00 0.00 175.30 173.78 2qp1 s ILE 74 N -2.19 0.19 0.08 1.52 1.10 -1.26 -4.14 121.20 116.49 2qp1 s ILE 74 Ca 0.59 -1.53 0.06 0.00 -0.51 0.00 0.00 60.65 59.26 2qp1 s ILE 74 Cb -0.09 -1.19 -0.03 0.00 0.15 0.00 0.00 42.46 41.30 2qp1 s ILE 74 CO 0.17 -0.84 -0.16 -0.83 -2.11 0.00 0.00 174.94 171.17 2qp1 s GLY 75 N -2.54 0.97 0.11 1.50 0.00 -1.18 -4.92 107.32 101.26 2qp1 s GLY 75 Ca 0.01 -1.06 0.10 0.00 0.00 0.00 0.00 44.72 43.78 2qp1 s GLY 75 CO -0.08 -1.07 -0.26 -1.60 0.00 0.00 0.00 173.10 170.10 2qp1 s ARG 76 N -1.72 1.39 0.70 2.90 3.52 -1.26 -0.17 118.95 124.32 2qp1 s ARG 76 Ca 0.01 -1.27 -0.06 0.00 -0.13 0.00 0.00 55.73 54.27 2qp1 s ARG 76 Cb -0.10 -1.80 0.06 0.00 -1.56 0.00 0.00 34.95 31.55 2qp1 s ARG 76 CO 0.03 0.43 1.01 1.03 -0.81 0.00 0.00 175.30 176.99 2qp1 s ARG 77 N -1.90 2.23 0.67 5.12 0.52 -0.32 -5.00 118.95 120.28 2qp1 s ARG 77 Ca 0.12 -0.25 -0.05 0.00 -0.52 0.00 0.00 55.73 55.03 2qp1 s ARG 77 Cb -0.10 -2.18 0.05 0.00 0.52 0.00 0.00 34.95 33.25 2qp1 s ARG 77 CO 0.05 -1.21 0.97 -1.12 0.02 0.00 0.00 175.30 174.01 2qp1 s SER 78 N -4.51 4.92 -0.09 0.23 0.01 -1.26 -4.80 113.70 108.21 2qp1 s SER 78 Ca 0.60 0.37 0.01 0.00 1.31 0.00 0.00 55.95 58.24 2qp1 s SER 78 Cb -0.11 -1.07 -0.02 0.00 0.21 0.00 0.00 66.02 65.02 2qp1 s SER 78 CO 0.45 -1.50 -0.11 -1.81 0.41 0.00 0.00 173.24 170.68 2qp1 s ASP 79 N -4.49 4.28 0.43 2.44 -0.00 -1.26 -4.21 116.67 113.85 2qp1 s ASP 79 Ca 0.59 -0.17 0.03 0.00 -0.00 0.00 0.00 52.55 53.00 2qp1 s ASP 79 Cb -0.11 -1.24 -0.02 0.00 -0.00 0.00 0.00 42.92 41.55 2qp1 s ASP 79 CO 0.43 0.28 0.11 -1.66 -0.00 0.00 0.00 175.17 174.34 2qp1 s TRP 80 N -0.34 1.80 0.18 4.23 1.48 -1.23 -4.85 118.94 120.20 2qp1 s TRP 80 Ca 0.04 -1.23 0.06 0.00 -1.06 0.00 0.00 56.10 53.91 2qp1 s TRP 80 Cb -0.13 -1.24 -0.04 0.00 -1.16 0.00 0.00 33.47 30.91 2qp1 s TRP 80 CO 0.02 -0.21 0.11 0.21 -4.06 0.00 0.00 176.95 173.02 2qp1 s LYS 81 N -3.73 2.77 0.22 3.25 2.20 0.72 -0.78 119.74 124.39 2qp1 s LYS 81 Ca 0.20 -0.96 0.08 0.00 -0.36 0.00 0.00 55.97 54.93 2qp1 s LYS 81 Cb 0.02 -2.55 -0.04 0.00 -1.51 0.00 0.00 37.83 33.75 2qp1 s LYS 81 CO 0.13 0.46 0.05 0.21 -0.36 0.00 0.00 175.35 175.84 2qp1 s LYS 82 N -3.17 2.50 0.00 4.03 2.20 0.54 -2.82 119.74 123.02 2qp1 s LYS 82 Ca 0.30 -1.20 0.00 0.00 -0.36 0.00 0.00 55.97 54.72 2qp1 s LYS 82 Cb -0.09 -2.34 0.00 0.00 -1.51 0.00 0.00 37.83 33.88 2qp1 s LYS 82 CO 0.22 0.41 0.00 0.00 -0.36 0.00 0.00 175.35 175.62 2qp1 n ALA 83 N -0.64 0.00 -3.10 3.13 0.00 -1.10 -3.58 120.51 115.21 2qp1 n ALA 83 Ca -0.08 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.29 2qp1 n ALA 83 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2qp1 n ALA 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qp1 n TYR 84 N -0.83 -3.02 -0.09 0.00 4.02 -0.87 -3.16 117.16 113.20 2qp1 n TYR 84 Ca 0.00 1.18 -0.17 0.00 -0.01 0.00 0.00 57.90 58.90 2qp1 n TYR 84 Cb 0.00 -3.87 -0.10 0.00 -0.02 0.00 0.00 39.34 35.36 2qp1 n TYR 84 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2qp1 h VAL 85 N 0.89 0.83 -3.16 -0.72 2.07 -0.89 0.64 116.25 115.91 2qp1 h VAL 85 Ca -0.09 -1.96 0.00 0.00 0.82 0.00 0.00 66.70 65.46 2qp1 h VAL 85 Cb 1.06 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 2qp1 h VAL 85 CO 0.28 0.28 -0.69 0.35 0.02 0.00 0.00 177.57 177.81 2qp1 n THR 86 N -4.49 -7.28 -4.52 2.57 -2.24 -1.26 -2.90 114.28 94.16 2qp1 n THR 86 Ca -0.24 2.18 -0.34 0.00 -2.27 0.00 0.00 64.05 63.38 2qp1 n THR 86 Cb 0.57 -3.63 -0.11 0.00 -2.10 0.00 0.00 70.33 65.07 2qp1 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2qp1 s LEU 87 N -1.07 3.31 0.00 3.22 1.43 -1.26 -1.33 118.68 122.97 2qp1 s LEU 87 Ca 0.00 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 2qp1 s LEU 87 Cb 0.00 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.46 2qp1 s LEU 87 CO 0.00 0.36 0.72 0.29 0.23 0.00 0.00 176.35 177.94 2qp1 n LYS 88 N 2.09 0.00 0.00 1.70 4.76 -1.26 -4.55 118.16 120.90 2qp1 n LYS 88 Ca -0.18 0.72 0.00 0.00 -2.87 0.00 0.00 58.31 55.98 2qp1 n LYS 88 Cb 0.53 -1.19 0.00 0.00 -1.84 0.00 0.00 35.03 32.53 2qp1 n LYS 88 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2qp1 n GLU 89 N -2.00 0.00 0.00 1.97 -0.58 -1.26 -4.86 120.64 113.91 2qp1 n GLU 89 Ca 0.00 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.76 2qp1 n GLU 89 Cb 0.00 -0.18 0.10 0.00 -0.57 0.00 0.00 31.44 30.79 2qp1 n GLU 89 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qp1 n GLY 90 N 0.00 -0.53 3.55 0.62 0.00 -1.26 -4.71 105.19 102.86 2qp1 n GLY 90 Ca 0.00 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 2qp1 n GLY 90 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qp1 n GLN 91 N -0.60 0.87 0.00 1.61 6.02 -1.26 -4.64 117.38 119.38 2qp1 n GLN 91 Ca 0.02 -0.30 0.00 0.00 -0.01 0.00 0.00 57.00 56.71 2qp1 n GLN 91 Cb 0.01 -3.53 0.00 0.00 1.02 0.00 0.00 30.24 27.74 2qp1 n GLN 91 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2qp1 n ASN 92 N 16.91 0.00 0.00 1.08 5.03 -1.26 -5.18 115.26 131.84 2qp1 n ASN 92 Ca 0.41 0.00 0.05 0.00 0.87 0.00 0.00 54.58 55.90 2qp1 n ASN 92 Cb 0.51 -0.00 0.28 0.00 -1.02 0.00 0.00 39.78 39.55 2qp1 n ASN 92 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61