#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qp0 n GLN 4 N 0.00 0.32 -3.92 1.20 6.02 -1.26 -5.01 117.38 114.72 2qp0 n GLN 4 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 2qp0 n GLN 4 Cb 0.00 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.14 2qp0 n GLN 4 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2qp0 s TYR 5 N -0.65 0.13 0.07 1.08 1.51 -0.60 -5.00 117.35 113.89 2qp0 s TYR 5 Ca 0.00 -0.26 0.06 0.00 -1.01 0.00 0.00 57.07 55.85 2qp0 s TYR 5 Cb 0.00 -0.10 -0.03 0.00 -0.11 0.00 0.00 41.96 41.72 2qp0 s TYR 5 CO 0.00 -0.15 -0.16 -0.47 -1.11 0.00 0.00 175.55 173.66 2qp0 s TYR 6 N -0.96 1.37 -0.40 2.71 6.04 -1.25 -0.95 117.35 123.90 2qp0 s TYR 6 Ca -0.11 -0.42 0.02 0.00 0.04 0.00 0.00 57.07 56.60 2qp0 s TYR 6 Cb -0.06 -0.78 0.15 0.00 -1.04 0.00 0.00 41.96 40.23 2qp0 s TYR 6 CO -0.00 0.08 0.27 0.20 -1.54 0.00 0.00 175.55 174.56 2qp0 s GLY 7 N -1.59 1.22 0.00 8.97 0.00 0.17 -3.90 107.32 112.19 2qp0 s GLY 7 Ca 0.01 -2.28 0.00 0.00 0.00 0.00 0.00 44.72 42.45 2qp0 s GLY 7 CO 0.02 1.95 0.00 -1.30 0.00 0.00 0.00 173.10 173.77 2qp0 n THR 8 N 3.48 0.00 -0.65 0.90 -2.24 -1.26 -3.51 114.28 110.99 2qp0 n THR 8 Ca 0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 2qp0 n THR 8 Cb 0.40 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 2qp0 n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qp0 n GLY 9 N 0.00 -0.82 3.65 3.38 0.00 -1.25 -3.65 105.19 106.49 2qp0 n GLY 9 Ca 0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 46.02 45.50 2qp0 n GLY 9 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qp0 s ARG 10 N -0.37 0.10 -0.29 1.61 1.70 -1.22 0.23 118.95 120.71 2qp0 s ARG 10 Ca 0.00 0.13 -0.18 0.00 -0.47 0.00 0.00 55.73 55.21 2qp0 s ARG 10 Cb 0.00 0.05 0.18 0.00 -0.57 0.00 0.00 34.95 34.61 2qp0 s ARG 10 CO 0.00 -0.01 1.18 -0.98 -1.08 0.00 0.00 175.30 174.41 2qp0 s ARG 11 N 0.13 0.18 -0.91 3.89 1.70 -0.16 -4.83 118.95 118.95 2qp0 s ARG 11 Ca 0.06 0.29 -0.04 0.00 -0.47 0.00 0.00 55.73 55.57 2qp0 s ARG 11 Cb -0.05 0.05 -0.03 0.00 -0.57 0.00 0.00 34.95 34.35 2qp0 s ARG 11 CO -0.14 -0.03 0.80 1.17 -1.08 0.00 0.00 175.30 176.01 2qp0 n LYS 12 N 3.00 -1.72 -0.18 3.89 4.81 -1.21 -2.16 118.16 124.59 2qp0 n LYS 12 Ca -0.16 1.11 0.00 0.00 -0.87 0.00 0.00 58.31 58.39 2qp0 n LYS 12 Cb 0.57 -5.52 0.00 0.00 0.02 0.00 0.00 35.03 30.10 2qp0 n LYS 12 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2qp0 n SER 13 N -2.51 0.00 -4.77 3.14 2.88 -1.26 -4.75 113.62 106.35 2qp0 n SER 13 Ca -0.05 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.09 2qp0 n SER 13 Cb 0.57 -1.36 -0.06 0.00 -0.75 0.00 0.00 64.21 62.61 2qp0 n SER 13 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2qp0 s SER 14 N -2.41 7.31 -0.22 -3.46 0.01 -0.92 -2.30 113.70 111.70 2qp0 s SER 14 Ca 0.00 1.55 -0.01 0.00 1.31 0.00 0.00 55.95 58.80 2qp0 s SER 14 Cb 0.00 -2.48 0.07 0.00 0.21 0.00 0.00 66.02 63.82 2qp0 s SER 14 CO 0.00 0.15 0.01 0.00 0.41 0.00 0.00 173.24 173.81 2qp0 s ALA 15 N -0.78 1.41 0.04 1.44 0.00 -0.90 -0.99 121.76 121.99 2qp0 s ALA 15 Ca 0.36 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.26 2qp0 s ALA 15 Cb -0.22 -1.33 -0.00 0.00 0.00 0.00 0.00 23.12 21.57 2qp0 s ALA 15 CO 0.25 -1.25 0.01 0.00 0.00 0.00 0.00 175.76 174.77 2qp0 n ALA 16 N 4.89 0.06 -2.73 0.00 0.00 0.63 0.11 120.51 123.48 2qp0 n ALA 16 Ca -0.09 -0.22 -0.10 0.00 0.00 0.00 0.00 53.44 53.03 2qp0 n ALA 16 Cb 0.45 0.15 -0.08 0.00 0.00 0.00 0.00 19.45 19.97 2qp0 n ALA 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qp0 s ARG 17 N -2.17 0.79 -0.20 0.00 0.52 -1.11 -3.95 118.95 112.84 2qp0 s ARG 17 Ca 0.02 -0.78 -0.04 0.00 -0.52 0.00 0.00 55.73 54.41 2qp0 s ARG 17 Cb 0.00 0.33 0.09 0.00 0.52 0.00 0.00 34.95 35.89 2qp0 s ARG 17 CO 0.01 -0.24 0.23 0.08 0.02 0.00 0.00 175.30 175.40 2qp0 s VAL 18 N -3.24 -0.34 -0.85 3.52 1.01 -1.23 -2.44 120.40 116.83 2qp0 s VAL 18 Ca 0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 2qp0 s VAL 18 Cb 0.02 -0.65 0.21 0.00 0.00 0.00 0.00 36.38 35.96 2qp0 s VAL 18 CO -0.08 -0.17 0.74 -0.36 0.00 0.00 0.00 175.10 175.24 2qp0 s PHE 19 N 2.34 3.81 0.44 5.22 0.08 -0.58 0.42 117.98 129.71 2qp0 s PHE 19 Ca 0.07 -2.76 -0.26 0.00 0.12 0.00 0.00 56.93 54.10 2qp0 s PHE 19 Cb -0.15 -3.40 -0.08 0.00 -0.57 0.00 0.00 43.02 38.81 2qp0 s PHE 19 CO -0.12 -0.83 1.40 0.42 -0.10 0.00 0.00 175.22 176.00 2qp0 s ILE 20 N -0.81 2.19 -0.21 0.64 1.09 -0.12 -0.61 121.20 123.37 2qp0 s ILE 20 Ca 0.24 0.17 -0.15 0.00 -1.10 0.00 0.00 60.65 59.81 2qp0 s ILE 20 Cb -0.11 -3.10 0.06 0.00 -1.06 0.00 0.00 42.46 38.25 2qp0 s ILE 20 CO -0.09 0.03 0.53 -0.75 -0.10 0.00 0.00 174.94 174.55 2qp0 s LYS 21 N -2.38 0.57 0.84 2.79 2.20 0.74 -1.55 119.74 122.94 2qp0 s LYS 21 Ca 0.60 0.85 -0.11 0.00 -0.36 0.00 0.00 55.97 56.95 2qp0 s LYS 21 Cb -0.43 0.17 0.09 0.00 -1.51 0.00 0.00 37.83 36.16 2qp0 s LYS 21 CO 0.55 -0.11 1.10 -1.25 -0.36 0.00 0.00 175.35 175.27 2qp0 s PRO 22 N 0.88 1.73 0.00 4.03 0.04 -1.26 0.20 135.00 140.61 2qp0 s PRO 22 Ca -0.05 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.08 2qp0 s PRO 22 Cb -0.05 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2qp0 s PRO 22 CO -0.07 -1.99 0.00 0.41 0.04 0.00 0.00 177.00 175.39 2qp0 n GLY 23 N -0.99 -0.19 7.00 0.56 0.00 -1.01 -4.67 105.19 105.89 2qp0 n GLY 23 Ca 0.09 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2qp0 n GLY 23 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qp0 n ASN 24 N 0.00 -3.80 -2.76 1.61 2.85 0.30 -4.26 115.26 109.19 2qp0 n ASN 24 Ca 0.00 0.00 -0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2qp0 n ASN 24 Cb 0.00 0.00 0.06 0.00 1.24 0.00 0.00 39.78 41.08 2qp0 n ASN 24 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2qp0 n GLY 25 N 0.00 1.81 3.48 8.20 0.00 -0.06 -0.99 105.19 117.63 2qp0 n GLY 25 Ca 0.00 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.83 2qp0 n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qp0 n LYS 26 N -0.75 -1.27 -4.01 1.61 4.81 -1.26 -4.65 118.16 112.63 2qp0 n LYS 26 Ca 0.02 -0.33 -0.19 0.00 -0.87 0.00 0.00 58.31 56.94 2qp0 n LYS 26 Cb 0.82 -2.08 -0.16 0.00 0.02 0.00 0.00 35.03 33.62 2qp0 n LYS 26 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 2qp0 s ILE 27 N -2.44 0.37 0.29 3.15 -5.25 -1.26 -3.66 121.20 112.40 2qp0 s ILE 27 Ca 0.63 -0.00 0.11 0.00 -0.99 0.00 0.00 60.65 60.40 2qp0 s ILE 27 Cb -0.21 -0.45 -0.05 0.00 2.95 0.00 0.00 42.46 44.70 2qp0 s ILE 27 CO 0.64 0.20 -0.11 -0.69 -1.79 0.00 0.00 174.94 173.19 2qp0 s VAL 28 N 1.12 2.73 -0.43 8.37 1.01 -1.13 -3.57 120.40 128.51 2qp0 s VAL 28 Ca -0.08 -2.20 0.05 0.00 0.00 0.00 0.00 61.98 59.75 2qp0 s VAL 28 Cb -0.14 -2.54 0.17 0.00 0.00 0.00 0.00 36.38 33.88 2qp0 s VAL 28 CO -0.01 -0.35 0.51 -0.63 0.00 0.00 0.00 175.10 174.62 2qp0 s ILE 29 N -2.47 -0.49 -0.50 2.22 1.01 0.44 -2.71 121.20 118.70 2qp0 s ILE 29 Ca 0.31 -1.20 -0.31 0.00 0.00 0.00 0.00 60.65 59.45 2qp0 s ILE 29 Cb -0.04 -0.49 0.05 0.00 0.01 0.00 0.00 42.46 41.98 2qp0 s ILE 29 CO 0.17 -0.46 0.65 -3.20 0.00 0.00 0.00 174.94 172.10 2qp0 n ASN 30 N 3.57 -5.78 0.00 3.58 4.05 0.79 -0.48 115.26 121.00 2qp0 n ASN 30 Ca 0.17 -0.17 0.00 0.00 0.45 0.00 0.00 54.58 55.04 2qp0 n ASN 30 Cb 0.51 -2.19 0.00 0.00 1.23 0.00 0.00 39.78 39.33 2qp0 n ASN 30 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2qp0 n GLN 31 N -0.52 0.00 -3.94 1.20 6.02 -1.26 -4.91 117.38 113.98 2qp0 n GLN 31 Ca -0.09 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.66 2qp0 n GLN 31 Cb 0.66 -3.47 -0.04 0.00 1.02 0.00 0.00 30.24 28.40 2qp0 n GLN 31 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2qp0 n ARG 32 N -2.00 1.04 -4.34 -1.09 1.74 0.37 -5.17 116.66 107.22 2qp0 n ARG 32 Ca 0.00 -2.79 -0.18 0.00 -0.77 0.00 0.00 57.85 54.12 2qp0 n ARG 32 Cb 0.00 0.69 -0.10 0.00 -1.02 0.00 0.00 32.46 32.03 2qp0 n ARG 32 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2qp0 s SER 33 N -3.16 2.16 0.02 0.55 1.04 -1.26 0.17 113.70 113.21 2qp0 s SER 33 Ca 0.03 -1.14 -0.05 0.00 0.48 0.00 0.00 55.95 55.27 2qp0 s SER 33 Cb -0.00 -0.06 -0.02 0.00 0.10 0.00 0.00 66.02 66.04 2qp0 s SER 33 CO 0.02 -0.38 1.07 0.25 0.98 0.00 0.00 173.24 175.18 2qp0 h LEU 34 N 2.50 -0.25 -2.03 2.42 5.85 -1.84 0.78 115.31 122.74 2qp0 h LEU 34 Ca -0.38 0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.49 2qp0 h LEU 34 Cb 1.22 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.33 2qp0 h LEU 34 CO 0.65 -0.06 0.39 -0.33 -0.34 0.00 0.00 178.44 178.74 2qp0 h GLU 35 N -0.06 0.00 -0.51 1.25 3.07 -1.90 1.34 114.58 117.76 2qp0 h GLU 35 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 2qp0 h GLU 35 Cb 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 2qp0 h GLU 35 CO -0.08 0.00 0.00 0.94 -1.40 0.00 0.00 179.01 178.47 2qp0 n GLN 36 N -3.96 2.30 0.01 2.33 7.27 -0.18 -3.21 117.38 121.94 2qp0 n GLN 36 Ca 0.07 -1.56 0.00 0.00 0.07 0.00 0.00 57.00 55.59 2qp0 n GLN 36 Cb 0.57 -1.49 0.00 0.00 2.41 0.00 0.00 30.24 31.73 2qp0 n GLN 36 CO 0.00 0.00 0.00 0.98 0.07 0.00 0.00 177.06 178.11 2qp0 n TYR 37 N 0.60 -0.23 -0.27 3.69 9.36 0.28 -4.62 117.16 125.98 2qp0 n TYR 37 Ca 0.14 0.04 0.04 0.00 3.32 0.00 0.00 57.90 61.44 2qp0 n TYR 37 Cb 0.47 0.44 0.09 0.00 -0.63 0.00 0.00 39.34 39.72 2qp0 n TYR 37 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 2qp0 n PHE 38 N -2.60 0.26 -1.72 2.98 0.99 0.38 -5.01 117.46 112.74 2qp0 n PHE 38 Ca 0.00 -0.59 -0.38 0.00 -0.00 0.00 0.00 57.45 56.48 2qp0 n PHE 38 Cb 0.00 -0.08 0.04 0.00 -1.00 0.00 0.00 39.48 38.45 2qp0 n PHE 38 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2qp0 n GLY 39 N -0.23 0.60 4.02 1.37 0.00 0.91 -1.83 105.19 110.03 2qp0 n GLY 39 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2qp0 n GLY 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qp0 n ARG 40 N -1.03 0.00 -2.92 1.61 0.63 -1.26 -4.89 116.66 108.80 2qp0 n ARG 40 Ca 0.11 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.86 2qp0 n ARG 40 Cb 0.45 -4.29 0.02 0.00 0.45 0.00 0.00 32.46 29.09 2qp0 n ARG 40 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 2qp0 s GLU 41 N -0.85 2.74 0.00 -0.14 2.12 -0.76 -4.99 118.70 116.81 2qp0 s GLU 41 Ca 0.00 -1.14 0.26 0.00 0.36 0.00 0.00 54.97 54.45 2qp0 s GLU 41 Cb 0.00 -2.69 1.35 0.00 0.26 0.00 0.00 34.13 33.05 2qp0 s GLU 41 CO 0.00 -0.40 1.87 -2.37 -0.54 0.00 0.00 175.26 173.82 2qp0 n THR 42 N -1.99 0.14 0.01 -1.70 5.66 -1.26 -3.41 114.28 111.74 2qp0 n THR 42 Ca 0.08 0.04 -0.18 0.00 -3.05 0.00 0.00 64.05 60.94 2qp0 n THR 42 Cb 0.59 -0.62 -0.14 0.00 -1.55 0.00 0.00 70.33 68.61 2qp0 n THR 42 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2qp0 h ALA 43 N 3.31 0.46 -0.52 1.79 0.00 -1.95 -3.39 119.26 118.96 2qp0 h ALA 43 Ca 0.00 -1.35 0.11 0.00 0.00 0.00 0.00 54.91 53.67 2qp0 h ALA 43 Cb 0.18 0.58 -0.09 0.00 0.00 0.00 0.00 17.79 18.45 2qp0 h ALA 43 CO 0.00 1.32 -0.07 0.07 0.00 0.00 0.00 179.25 180.57 2qp0 h ARG 44 N 0.06 0.05 0.00 0.00 0.11 -1.55 0.89 114.38 113.93 2qp0 h ARG 44 Ca -0.36 -0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.71 2qp0 h ARG 44 Cb 2.04 -0.01 -0.00 0.00 1.11 0.00 0.00 29.97 33.10 2qp0 h ARG 44 CO 0.11 0.03 -0.04 0.00 0.10 0.00 0.00 179.97 180.17 2qp0 h MET 45 N 0.05 0.00 0.00 0.08 -0.00 -1.77 -0.07 114.93 113.21 2qp0 h MET 45 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.96 2qp0 h MET 45 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.00 2qp0 h MET 45 CO -0.50 0.04 0.00 1.33 -0.00 0.00 0.00 176.91 177.78 2qp0 n VAL 46 N -3.32 0.69 0.03 -0.10 0.24 0.29 -2.80 118.33 113.37 2qp0 n VAL 46 Ca -0.02 -0.08 -0.22 0.00 -2.04 0.00 0.00 64.34 61.98 2qp0 n VAL 46 Cb 0.18 -0.83 -0.14 0.00 -1.47 0.00 0.00 33.84 31.58 2qp0 n VAL 46 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 2qp0 h VAL 47 N 0.00 0.78 0.00 3.34 2.07 -0.81 -3.31 116.25 118.31 2qp0 h VAL 47 Ca 0.00 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.12 2qp0 h VAL 47 Cb 0.59 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 2qp0 h VAL 47 CO 0.00 0.86 0.00 0.54 0.02 0.00 0.00 177.57 178.99 2qp0 n ARG 48 N -3.59 0.64 0.09 1.57 1.74 -1.05 -4.04 116.66 112.02 2qp0 n ARG 48 Ca -0.29 0.01 -0.13 0.00 -0.77 0.00 0.00 57.85 56.67 2qp0 n ARG 48 Cb 1.04 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.90 2qp0 n ARG 48 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2qp0 h GLN 49 N 0.00 -0.57 -0.18 5.56 1.08 -1.61 0.23 115.11 119.62 2qp0 h GLN 49 Ca 0.00 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 2qp0 h GLN 49 Cb 0.01 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 2qp0 h GLN 49 CO 0.00 -0.38 0.00 -0.35 -0.95 0.00 0.00 178.83 177.15 2qp0 n PRO 50 N -4.75 0.21 0.00 1.46 -0.04 -1.26 -1.50 135.00 129.12 2qp0 n PRO 50 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 2qp0 n PRO 50 Cb 0.32 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 2qp0 n PRO 50 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2qp0 n LEU 51 N 0.26 1.76 0.00 1.53 4.77 0.01 -4.66 117.00 120.67 2qp0 n LEU 51 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2qp0 n LEU 51 Cb 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2qp0 n LEU 51 CO 0.00 0.27 0.41 -0.62 -1.33 0.00 0.00 177.39 176.12 2qp0 n GLU 52 N -2.45 0.00 -0.17 3.23 -0.58 0.59 -0.28 120.64 120.97 2qp0 n GLU 52 Ca 0.00 0.30 0.09 0.00 -0.42 0.00 0.00 57.16 57.14 2qp0 n GLU 52 Cb 0.40 -1.53 0.17 0.00 -0.57 0.00 0.00 31.44 29.90 2qp0 n GLU 52 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2qp0 n LEU 53 N -1.29 2.77 0.00 -4.62 7.99 -1.23 -4.64 117.00 115.98 2qp0 n LEU 53 Ca 0.00 -3.04 0.00 0.00 -0.01 0.00 0.00 56.01 52.96 2qp0 n LEU 53 Cb 0.03 -0.45 0.00 0.00 -0.11 0.00 0.00 43.42 42.89 2qp0 n LEU 53 CO 0.00 0.70 0.00 1.33 -1.51 0.00 0.00 177.39 177.91 2qp0 n VAL 54 N -1.15 0.00 -2.07 4.08 0.24 0.61 -5.02 118.33 115.02 2qp0 n VAL 54 Ca 0.17 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.46 2qp0 n VAL 54 Cb 0.70 0.87 -0.01 0.00 -1.47 0.00 0.00 33.84 33.94 2qp0 n VAL 54 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2qp0 n ASP 55 N 0.00 -5.78 0.00 -1.34 8.00 -0.75 -5.09 116.55 111.59 2qp0 n ASP 55 Ca 0.00 1.27 0.00 0.00 0.71 0.00 0.00 54.79 56.77 2qp0 n ASP 55 Cb 0.11 -4.11 0.00 0.00 -0.02 0.00 0.00 41.12 37.10 2qp0 n ASP 55 CO 0.00 0.00 0.00 1.15 -0.39 0.00 0.00 177.20 177.96 2qp0 n MET 56 N 1.32 0.00 0.00 -1.24 0.00 -1.26 -4.67 117.12 111.27 2qp0 n MET 56 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.62 2qp0 n MET 56 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.35 2qp0 n MET 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2qp0 n VAL 57 N 0.00 0.00 0.00 3.17 0.31 -1.26 -3.20 118.33 117.35 2qp0 n VAL 57 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2qp0 n VAL 57 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2qp0 n VAL 57 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2qp0 n GLU 58 N 0.00 2.48 -0.07 5.55 0.00 -1.26 -0.88 120.64 126.47 2qp0 n GLU 58 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 57.08 2qp0 n GLU 58 Cb 0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 31.44 30.87 2qp0 n GLU 58 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 2qp0 h LYS 59 N 0.00 0.19 -2.89 3.44 3.11 -1.59 0.85 116.57 119.68 2qp0 h LYS 59 Ca 0.00 -0.01 0.07 0.00 -2.81 0.00 0.00 60.65 57.90 2qp0 h LYS 59 Cb 0.07 -0.04 -0.07 0.00 -1.00 0.00 0.00 32.23 31.18 2qp0 h LYS 59 CO 0.00 0.12 0.27 -0.48 -2.81 0.00 0.00 179.45 176.55 2qp0 s LEU 60 N -10.30 -0.31 0.00 5.20 0.05 -0.16 -2.39 118.68 110.77 2qp0 s LEU 60 Ca -0.13 -0.45 0.00 0.00 0.05 0.00 0.00 54.13 53.60 2qp0 s LEU 60 Cb 0.10 2.61 0.00 0.00 -2.05 0.00 0.00 46.19 46.85 2qp0 s LEU 60 CO 0.70 -1.20 0.00 -0.90 -0.55 0.00 0.00 176.35 174.40 2qp0 n ASP 61 N -0.44 1.46 -3.53 1.48 5.75 0.54 -3.89 116.55 117.93 2qp0 n ASP 61 Ca -0.07 -0.90 -0.15 0.00 -0.01 0.00 0.00 54.79 53.66 2qp0 n ASP 61 Cb 0.60 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.64 2qp0 n ASP 61 CO 0.00 0.00 0.00 -1.48 -0.11 0.00 0.00 177.20 175.61 2qp0 s LEU 62 N 0.00 -0.55 -0.42 -2.12 -0.00 -1.24 -0.19 118.68 114.16 2qp0 s LEU 62 Ca 0.00 0.52 -0.00 0.00 -0.00 0.00 0.00 54.13 54.65 2qp0 s LEU 62 Cb 0.00 2.32 0.12 0.00 -0.00 0.00 0.00 46.19 48.63 2qp0 s LEU 62 CO 0.00 -0.57 0.19 -0.47 -0.00 0.00 0.00 176.35 175.51 2qp0 s TYR 63 N -1.52 3.59 0.33 3.48 5.04 0.22 -2.82 117.35 125.67 2qp0 s TYR 63 Ca -0.06 -2.69 -0.26 0.00 -2.44 0.00 0.00 57.07 51.62 2qp0 s TYR 63 Cb -0.00 -3.10 -0.10 0.00 0.35 0.00 0.00 41.96 39.10 2qp0 s TYR 63 CO 0.04 -0.93 0.95 0.42 -1.34 0.00 0.00 175.55 174.69 2qp0 s ILE 64 N 0.80 4.20 -0.41 3.14 1.09 -1.10 -1.52 121.20 127.41 2qp0 s ILE 64 Ca 0.11 1.79 0.08 0.00 -1.10 0.00 0.00 60.65 61.53 2qp0 s ILE 64 Cb -0.22 -3.98 0.25 0.00 -1.06 0.00 0.00 42.46 37.46 2qp0 s ILE 64 CO -0.05 0.11 0.54 0.41 -0.10 0.00 0.00 174.94 175.85 2qp0 n THR 65 N 0.48 -0.50 -3.12 2.92 -1.04 -1.02 0.28 114.28 112.28 2qp0 n THR 65 Ca 0.02 -4.09 -0.36 0.00 -2.04 0.00 0.00 64.05 57.58 2qp0 n THR 65 Cb 0.50 -1.95 -0.06 0.00 -1.82 0.00 0.00 70.33 67.00 2qp0 n THR 65 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2qp0 s VAL 66 N -1.28 4.59 -0.34 12.58 0.11 -1.26 -2.75 120.40 132.05 2qp0 s VAL 66 Ca 0.35 1.25 -0.07 0.00 -2.93 0.00 0.00 61.98 60.58 2qp0 s VAL 66 Cb 0.17 -3.85 0.21 0.00 -1.53 0.00 0.00 36.38 31.38 2qp0 s VAL 66 CO -0.10 0.21 1.08 -1.59 -3.33 0.00 0.00 175.10 171.37 2qp0 s LYS 67 N -1.97 0.21 0.00 1.54 -2.85 0.31 -4.84 119.74 112.14 2qp0 s LYS 67 Ca 0.43 -0.18 0.00 0.00 -1.00 0.00 0.00 55.97 55.21 2qp0 s LYS 67 Cb -0.17 -0.00 0.00 0.00 -2.06 0.00 0.00 37.83 35.60 2qp0 s LYS 67 CO 0.21 -0.27 0.00 0.41 0.10 0.00 0.00 175.35 175.80 2qp0 n GLY 68 N 2.85 3.92 0.33 0.59 0.00 -1.23 -4.38 105.19 107.27 2qp0 n GLY 68 Ca 0.10 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2qp0 n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qp0 n GLY 69 N -0.78 0.42 0.93 -0.02 0.00 -0.97 -2.11 105.19 102.65 2qp0 n GLY 69 Ca 0.00 -1.71 -0.07 0.00 0.00 0.00 0.00 46.02 44.24 2qp0 n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qp0 n GLY 70 N 0.00 3.89 0.00 -0.02 0.00 -1.26 -4.93 105.19 102.87 2qp0 n GLY 70 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.02 2qp0 n GLY 70 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2qp0 n ILE 71 N -0.26 0.00 -0.34 -0.61 -0.00 -1.26 0.20 119.36 117.09 2qp0 n ILE 71 Ca -0.02 1.20 0.23 0.00 -0.00 0.00 0.00 62.75 64.17 2qp0 n ILE 71 Cb 0.17 -2.14 0.47 0.00 -0.00 0.00 0.00 39.64 38.14 2qp0 n ILE 71 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.55 177.32 2qp0 h SER 72 N 0.00 0.53 -0.13 4.38 4.64 -2.00 0.28 113.55 121.26 2qp0 h SER 72 Ca 0.00 0.16 -0.05 0.00 -0.47 0.00 0.00 61.79 61.44 2qp0 h SER 72 Cb 0.00 0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2qp0 h SER 72 CO 0.00 -0.05 -0.10 1.23 -0.87 0.00 0.00 176.83 177.04 2qp0 h GLY 73 N 0.38 0.31 -0.52 -0.77 0.00 -1.90 -2.85 103.07 97.73 2qp0 h GLY 73 Ca 0.70 -0.31 0.08 0.00 0.00 0.00 0.00 47.33 47.80 2qp0 h GLY 73 CO -0.53 0.28 -0.48 -1.61 0.00 0.00 0.00 176.54 174.20 2qp0 h GLN 74 N -0.09 -0.24 -0.95 4.80 4.15 0.60 0.43 115.11 123.80 2qp0 h GLN 74 Ca 0.02 0.02 0.14 0.00 0.77 0.00 0.00 58.65 59.60 2qp0 h GLN 74 Cb 0.60 0.06 -0.08 0.00 0.21 0.00 0.00 27.48 28.27 2qp0 h GLN 74 CO 0.03 -0.16 0.60 0.00 -1.93 0.00 0.00 178.83 177.37 2qp0 h ALA 75 N 0.44 1.69 0.23 3.38 0.00 -1.40 -2.17 119.26 121.43 2qp0 h ALA 75 Ca 0.15 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2qp0 h ALA 75 Cb 0.56 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2qp0 h ALA 75 CO -0.69 0.04 -0.11 0.78 0.00 0.00 0.00 179.25 179.28 2qp0 h GLY 76 N 0.82 -0.32 0.65 0.00 0.00 0.03 0.31 103.07 104.56 2qp0 h GLY 76 Ca 0.49 0.12 0.14 0.00 0.00 0.00 0.00 47.33 48.08 2qp0 h GLY 76 CO -0.25 -0.11 0.53 0.00 0.00 0.00 0.00 176.54 176.70 2qp0 h ALA 77 N 0.41 2.01 0.00 3.60 0.00 -0.51 0.37 119.26 125.14 2qp0 h ALA 77 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2qp0 h ALA 77 Cb 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2qp0 h ALA 77 CO 0.05 -0.22 -0.05 0.82 0.00 0.00 0.00 179.25 179.85 2qp0 h ILE 78 N 0.52 1.62 -0.54 0.00 2.04 -1.06 0.36 117.51 120.44 2qp0 h ILE 78 Ca 0.39 -1.89 0.08 0.00 1.00 0.00 0.00 64.86 64.45 2qp0 h ILE 78 Cb 0.79 2.89 -0.03 0.00 -0.74 0.00 0.00 36.82 39.72 2qp0 h ILE 78 CO -0.15 0.50 0.36 -0.09 0.00 0.00 0.00 178.15 178.77 2qp0 h ARG 79 N -0.74 0.37 0.06 2.37 2.43 0.34 0.20 114.38 119.40 2qp0 h ARG 79 Ca -0.01 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.04 2qp0 h ARG 79 Cb 0.84 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 30.32 2qp0 h ARG 79 CO 0.01 0.25 -0.44 1.25 -1.51 0.00 0.00 179.97 179.53 2qp0 h HIS 80 N 0.38 0.33 -0.50 2.20 2.76 -0.28 -3.30 115.15 116.74 2qp0 h HIS 80 Ca 0.24 -0.22 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 2qp0 h HIS 80 Cb 0.46 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.38 2qp0 h HIS 80 CO -0.00 1.13 0.25 0.78 -1.30 0.00 0.00 177.93 178.79 2qp0 h GLY 81 N -0.56 0.73 0.51 5.26 0.00 0.49 -2.59 103.07 106.91 2qp0 h GLY 81 Ca -0.07 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 2qp0 h GLY 81 CO 0.08 0.31 -0.51 -2.22 0.00 0.00 0.00 176.54 174.20 2qp0 h ILE 82 N 0.69 0.00 -0.12 2.60 2.04 -0.73 -1.63 117.51 120.36 2qp0 h ILE 82 Ca 0.18 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.07 2qp0 h ILE 82 Cb 0.05 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.12 2qp0 h ILE 82 CO -0.03 0.00 0.11 0.00 0.00 0.00 0.00 178.15 178.23 2qp0 h THR 83 N -1.02 0.71 -0.19 -0.27 1.03 -1.62 0.41 112.91 111.97 2qp0 h THR 83 Ca -0.06 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 66.30 2qp0 h THR 83 Cb 0.88 0.92 -0.01 0.00 -1.07 0.00 0.00 68.15 68.87 2qp0 h THR 83 CO -0.06 0.00 -0.03 0.03 -0.01 0.00 0.00 175.52 175.44 2qp0 h ARG 84 N 0.00 0.28 0.22 0.00 2.47 -0.91 -2.74 114.38 113.70 2qp0 h ARG 84 Ca 0.06 -0.05 -0.32 0.00 -1.26 0.00 0.00 59.98 58.41 2qp0 h ARG 84 Cb 0.27 -0.05 0.03 0.00 -1.65 0.00 0.00 29.97 28.58 2qp0 h ARG 84 CO -0.00 0.34 -1.42 0.00 0.56 0.00 0.00 179.97 179.44 2qp0 h ALA 85 N 1.70 -0.10 0.00 0.04 0.00 -0.40 -3.13 119.26 117.36 2qp0 h ALA 85 Ca 0.06 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.11 2qp0 h ALA 85 Cb 0.25 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2qp0 h ALA 85 CO 0.01 0.76 0.00 -0.07 0.00 0.00 0.00 179.25 179.95 2qp0 h LEU 86 N 0.14 0.00 0.00 0.00 4.07 -1.18 -1.25 115.31 117.08 2qp0 h LEU 86 Ca -0.23 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.73 2qp0 h LEU 86 Cb 2.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.86 2qp0 h LEU 86 CO 0.26 0.00 -0.11 -0.03 -1.08 0.00 0.00 178.44 177.48 2qp0 h MET 87 N 0.00 0.00 -0.63 1.13 4.05 -1.53 -0.95 114.93 117.00 2qp0 h MET 87 Ca 0.00 0.00 0.18 0.00 -0.28 0.00 0.00 59.70 59.60 2qp0 h MET 87 Cb 0.13 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.90 2qp0 h MET 87 CO 0.00 0.00 0.63 1.05 0.23 0.00 0.00 176.91 178.82 2qp0 h GLU 88 N -0.51 0.00 0.11 0.39 -0.00 -1.50 0.57 114.58 113.65 2qp0 h GLU 88 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 59.36 59.10 2qp0 h GLU 88 Cb 0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.86 2qp0 h GLU 88 CO 0.00 0.00 -1.31 -0.92 -0.00 0.00 0.00 179.01 176.78 2qp0 h TYR 89 N 0.00 0.43 -1.71 2.06 3.20 -1.36 -3.44 116.97 116.16 2qp0 h TYR 89 Ca 0.30 -0.32 -0.30 0.00 3.14 0.00 0.00 58.73 61.55 2qp0 h TYR 89 Cb 1.56 -0.02 -0.28 0.00 1.54 0.00 0.00 36.73 39.53 2qp0 h TYR 89 CO 0.00 1.51 -0.63 0.34 -1.64 0.00 0.00 178.16 177.74 2qp0 s ASP 90 N -7.01 0.46 0.00 -2.11 3.68 0.11 -5.02 116.67 106.78 2qp0 s ASP 90 Ca -0.19 -1.45 0.00 0.00 2.13 0.00 0.00 52.55 53.04 2qp0 s ASP 90 Cb 0.04 0.90 0.00 0.00 -1.45 0.00 0.00 42.92 42.41 2qp0 s ASP 90 CO 0.77 -0.23 1.44 -0.62 0.13 0.00 0.00 175.17 176.66 2qp0 n GLU 91 N 4.20 0.73 -0.03 4.34 -0.58 0.16 -3.54 120.64 125.92 2qp0 n GLU 91 Ca 0.12 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.85 2qp0 n GLU 91 Cb 0.48 -1.13 -0.08 0.00 -0.57 0.00 0.00 31.44 30.14 2qp0 n GLU 91 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2qp0 n SER 92 N 1.60 2.60 -0.85 1.62 3.41 -1.26 -4.56 113.62 116.17 2qp0 n SER 92 Ca 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.67 2qp0 n SER 92 Cb 0.37 1.01 0.18 0.00 -0.26 0.00 0.00 64.21 65.51 2qp0 n SER 92 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qp0 n LEU 93 N -2.18 2.45 0.49 1.04 -0.00 -1.23 -4.43 117.00 113.14 2qp0 n LEU 93 Ca -0.11 -1.23 -0.20 0.00 -0.00 0.00 0.00 56.01 54.47 2qp0 n LEU 93 Cb 0.62 -0.35 -0.10 0.00 -0.00 0.00 0.00 43.42 43.59 2qp0 n LEU 93 CO 0.21 0.50 0.54 0.03 -0.00 0.00 0.00 177.39 178.67 2qp0 h ARG 94 N 2.24 -1.23 -0.43 1.47 2.47 -1.84 -1.17 114.38 115.89 2qp0 h ARG 94 Ca 0.00 0.08 0.04 0.00 -1.26 0.00 0.00 59.98 58.84 2qp0 h ARG 94 Cb 0.72 0.28 -0.05 0.00 -1.65 0.00 0.00 29.97 29.27 2qp0 h ARG 94 CO 0.07 -0.82 -0.25 0.45 0.56 0.00 0.00 179.97 179.97 2qp0 n SER 95 N -5.57 -0.46 -0.14 7.04 2.88 -1.26 0.20 113.62 116.31 2qp0 n SER 95 Ca -0.16 0.95 -0.08 0.00 -1.33 0.00 0.00 58.87 58.25 2qp0 n SER 95 Cb 0.52 -0.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 2qp0 n SER 95 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2qp0 h GLU 96 N 0.00 0.60 -0.96 -1.46 4.22 -1.88 -1.87 114.58 113.23 2qp0 h GLU 96 Ca 0.07 -0.07 0.01 0.00 0.08 0.00 0.00 59.36 59.45 2qp0 h GLU 96 Cb 0.18 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 2qp0 h GLU 96 CO -0.40 0.48 0.64 -0.07 -2.18 0.00 0.00 179.01 177.47 2qp0 h LEU 97 N 0.56 1.10 -0.08 1.64 3.38 0.14 -2.96 115.31 119.09 2qp0 h LEU 97 Ca 0.15 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2qp0 h LEU 97 Cb 0.05 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 2qp0 h LEU 97 CO -0.02 0.79 0.01 -0.09 0.09 0.00 0.00 178.44 179.22 2qp0 h ARG 98 N 1.29 0.13 0.00 1.13 2.43 0.26 -2.45 114.38 117.18 2qp0 h ARG 98 Ca 0.36 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 2qp0 h ARG 98 Cb -0.13 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 2qp0 h ARG 98 CO -0.08 0.35 0.00 1.17 -1.51 0.00 0.00 179.97 179.90 2qp0 n LYS 99 N -4.88 0.48 0.00 0.20 4.81 -0.74 -1.57 118.16 116.46 2qp0 n LYS 99 Ca -0.06 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.42 2qp0 n LYS 99 Cb 0.16 -1.01 0.03 0.00 0.02 0.00 0.00 35.03 34.24 2qp0 n LYS 99 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qp0 n ALA 100 N -0.51 2.50 -2.29 3.14 0.00 -0.93 -4.99 120.51 117.43 2qp0 n ALA 100 Ca 0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 53.44 52.84 2qp0 n ALA 100 Cb 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.19 2qp0 n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qp0 n GLY 101 N 0.47 0.27 0.00 0.00 0.00 -0.61 -4.94 105.19 100.39 2qp0 n GLY 101 Ca 0.05 -0.60 0.06 0.00 0.00 0.00 0.00 46.02 45.52 2qp0 n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qp0 n PHE 102 N -3.76 0.00 0.05 1.61 3.01 -1.16 -4.62 117.46 112.58 2qp0 n PHE 102 Ca -0.04 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.21 2qp0 n PHE 102 Cb 0.54 -0.20 -0.14 0.00 -0.01 0.00 0.00 39.48 39.67 2qp0 n PHE 102 CO 0.00 0.00 0.00 -0.39 1.01 0.00 0.00 176.76 177.38 2qp0 h VAL 103 N 0.00 1.46 -2.31 -4.37 -1.51 -1.80 -3.47 116.25 104.25 2qp0 h VAL 103 Ca 0.00 -2.45 -0.42 0.00 -1.23 0.00 0.00 66.70 62.60 2qp0 h VAL 103 Cb 0.49 3.03 0.22 0.00 -2.13 0.00 0.00 31.29 32.90 2qp0 h VAL 103 CO 0.00 0.70 -0.93 0.35 -1.23 0.00 0.00 177.57 176.47 2qp0 n THR 104 N -4.09 0.00 -4.68 7.19 -2.24 -1.26 -5.03 114.28 104.17 2qp0 n THR 104 Ca -0.13 -0.27 -0.24 0.00 -2.27 0.00 0.00 64.05 61.14 2qp0 n THR 104 Cb 0.83 -0.63 -0.16 0.00 -2.10 0.00 0.00 70.33 68.27 2qp0 n THR 104 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2qp0 s ARG 105 N -3.55 1.40 -1.24 -0.78 3.00 -1.26 -5.04 118.95 111.47 2qp0 s ARG 105 Ca 0.55 -0.51 -0.13 0.00 -1.00 0.00 0.00 55.73 54.64 2qp0 s ARG 105 Cb -0.12 -1.27 -0.05 0.00 0.00 0.00 0.00 34.95 33.51 2qp0 s ARG 105 CO 0.62 0.24 2.32 -3.47 0.00 0.00 0.00 175.30 175.02 2qp0 n ASP 106 N 3.04 5.01 0.01 -2.12 -0.08 -1.26 -4.63 116.55 116.52 2qp0 n ASP 106 Ca -0.17 -2.63 0.04 0.00 -1.51 0.00 0.00 54.79 50.52 2qp0 n ASP 106 Cb 0.54 -1.40 0.43 0.00 2.34 0.00 0.00 41.12 43.02 2qp0 n ASP 106 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2qp0 h ALA 107 N 6.23 1.70 0.00 -1.67 0.00 -1.97 -3.21 119.26 120.35 2qp0 h ALA 107 Ca 0.60 -0.04 -0.59 0.00 0.00 0.00 0.00 54.91 54.88 2qp0 h ALA 107 Cb 0.46 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 2qp0 h ALA 107 CO 1.79 0.27 1.26 0.54 0.00 0.00 0.00 179.25 183.12 2qp0 n ARG 108 N -4.47 0.00 -4.70 0.00 1.74 -1.26 -4.80 116.66 103.18 2qp0 n ARG 108 Ca 0.03 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.83 2qp0 n ARG 108 Cb 0.07 -1.30 -0.14 0.00 -1.02 0.00 0.00 32.46 30.07 2qp0 n ARG 108 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2qp0 s GLN 109 N 6.03 1.57 -0.29 5.56 -0.44 -1.26 -4.78 119.66 126.04 2qp0 s GLN 109 Ca 1.08 -1.11 -0.37 0.00 -2.50 0.00 0.00 55.36 52.46 2qp0 s GLN 109 Cb -1.23 -1.79 -0.13 0.00 -1.64 0.00 0.00 33.01 28.22 2qp0 s GLN 109 CO 0.52 0.45 1.99 0.28 0.50 0.00 0.00 175.29 179.03 2qp0 n VAL 110 N 1.60 0.28 -1.72 1.34 0.31 -1.26 -4.84 118.33 114.04 2qp0 n VAL 110 Ca -0.17 -0.15 -0.42 0.00 -0.01 0.00 0.00 64.34 63.58 2qp0 n VAL 110 Cb 0.53 -1.48 -0.03 0.00 -0.91 0.00 0.00 33.84 31.95 2qp0 n VAL 110 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2qp0 s GLU 111 N 4.96 4.12 0.61 5.55 2.12 -1.26 -4.94 118.70 129.87 2qp0 s GLU 111 Ca 1.04 2.61 -0.19 0.00 0.36 0.00 0.00 54.97 58.79 2qp0 s GLU 111 Cb -0.94 -3.08 -0.03 0.00 0.26 0.00 0.00 34.13 30.34 2qp0 s GLU 111 CO 0.56 -0.76 1.23 2.89 -0.54 0.00 0.00 175.26 178.65 2qp0 n ARG 112 N 4.02 1.21 -2.33 4.30 1.85 -1.26 -4.86 116.66 119.60 2qp0 n ARG 112 Ca 0.16 0.46 -0.41 0.00 -1.00 0.00 0.00 57.85 57.07 2qp0 n ARG 112 Cb 0.35 -2.45 -0.03 0.00 -1.05 0.00 0.00 32.46 29.27 2qp0 n ARG 112 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 2qp0 s LYS 113 N -3.09 4.51 0.28 2.89 2.36 -1.26 -4.64 119.74 120.79 2qp0 s LYS 113 Ca 0.78 1.96 0.07 0.00 -2.55 0.00 0.00 55.97 56.23 2qp0 s LYS 113 Cb -0.40 -3.17 -0.03 0.00 -1.05 0.00 0.00 37.83 33.19 2qp0 s LYS 113 CO 0.44 -0.00 0.30 0.15 1.55 0.00 0.00 175.35 177.79 2qp0 s LYS 114 N -1.19 3.04 0.37 4.03 3.01 -1.26 -4.94 119.74 122.81 2qp0 s LYS 114 Ca 0.48 -1.02 -0.25 0.00 -1.01 0.00 0.00 55.97 54.17 2qp0 s LYS 114 Cb -0.35 -2.67 -0.09 0.00 -1.01 0.00 0.00 37.83 33.72 2qp0 s LYS 114 CO 0.43 0.29 1.07 0.54 0.51 0.00 0.00 175.35 178.19 2qp0 s VAL 115 N -2.14 3.62 0.00 3.17 0.11 -1.26 -3.89 120.40 120.01 2qp0 s VAL 115 Ca 0.37 1.34 0.00 0.00 -2.93 0.00 0.00 61.98 60.76 2qp0 s VAL 115 Cb -0.08 -3.74 0.00 0.00 -1.53 0.00 0.00 36.38 31.03 2qp0 s VAL 115 CO 0.27 0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.76 2qp0 n GLY 116 N 0.59 2.20 0.00 6.54 0.00 -1.26 -4.97 105.19 108.30 2qp0 n GLY 116 Ca 0.03 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2qp0 n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qp0 n LEU 117 N 0.00 0.00 0.00 0.99 4.77 -1.25 -4.86 117.00 116.65 2qp0 n LEU 117 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2qp0 n LEU 117 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2qp0 n LEU 117 CO 0.00 -1.14 -0.30 -1.14 -1.33 0.00 0.00 177.39 173.48 2qp0 n ARG 118 N -1.46 1.66 -2.57 3.23 0.63 -0.23 -4.88 116.66 113.04 2qp0 n ARG 118 Ca 0.00 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.81 2qp0 n ARG 118 Cb 0.00 -0.80 0.03 0.00 0.45 0.00 0.00 32.46 32.14 2qp0 n ARG 118 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2qp0 n LYS 119 N -1.62 2.17 -0.47 -0.14 4.81 -1.19 -4.95 118.16 116.76 2qp0 n LYS 119 Ca 0.00 -3.73 0.00 0.00 -0.87 0.00 0.00 58.31 53.71 2qp0 n LYS 119 Cb 0.30 -1.72 0.00 0.00 0.02 0.00 0.00 35.03 33.63 2qp0 n LYS 119 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qp0 n ALA 120 N -0.40 0.00 0.00 3.14 0.00 -1.26 -3.97 120.51 118.02 2qp0 n ALA 120 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2qp0 n ALA 120 Cb 0.81 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 19.31 2qp0 n ALA 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qp0 n ARG 121 N -1.86 0.00 -2.56 0.00 5.12 -1.26 -4.82 116.66 111.27 2qp0 n ARG 121 Ca 0.00 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.50 2qp0 n ARG 121 Cb 0.00 -0.06 -0.03 0.00 -1.16 0.00 0.00 32.46 31.21 2qp0 n ARG 121 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2qp0 s ARG 122 N -1.59 4.41 0.10 5.56 3.52 -1.25 -4.93 118.95 124.75 2qp0 s ARG 122 Ca 0.00 1.55 0.10 0.00 -0.13 0.00 0.00 55.73 57.25 2qp0 s ARG 122 Cb 0.00 -3.52 -0.04 0.00 -1.56 0.00 0.00 34.95 29.84 2qp0 s ARG 122 CO 0.00 -0.33 -0.23 -0.98 -0.81 0.00 0.00 175.30 172.94 2qp0 s ARG 123 N 1.88 1.67 1.02 5.12 1.70 -1.26 -1.06 118.95 128.03 2qp0 s ARG 123 Ca 0.53 -1.21 -0.16 0.00 -0.47 0.00 0.00 55.73 54.42 2qp0 s ARG 123 Cb -0.22 -2.01 0.25 0.00 -0.57 0.00 0.00 34.95 32.40 2qp0 s ARG 123 CO 0.22 0.48 0.57 -0.35 -1.08 0.00 0.00 175.30 175.15 2qp0 n PRO 124 N 1.15 -3.46 -4.44 3.89 -0.04 -1.26 -5.00 135.00 125.84 2qp0 n PRO 124 Ca -0.17 -0.97 -0.26 0.00 -0.04 0.00 0.00 63.50 62.06 2qp0 n PRO 124 Cb 0.53 -1.35 -0.10 0.00 -0.04 0.00 0.00 33.50 32.54 2qp0 n PRO 124 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2qp0 s GLN 125 N -4.19 2.04 0.00 0.54 -2.07 -1.26 -5.05 119.66 109.67 2qp0 s GLN 125 Ca 0.44 -1.98 0.00 0.00 -1.82 0.00 0.00 55.36 52.01 2qp0 s GLN 125 Cb -0.08 -1.78 0.00 0.00 -1.09 0.00 0.00 33.01 30.06 2qp0 s GLN 125 CO 0.37 -0.03 0.00 1.97 -1.32 0.00 0.00 175.29 176.28 2qp0 n PHE 126 N -1.03 0.00 0.00 9.60 1.16 -1.26 -5.05 117.46 120.87 2qp0 n PHE 126 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.54 2qp0 n PHE 126 Cb 0.65 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.52 2qp0 n PHE 126 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 2qp0 n SER 127 N -1.16 0.00 -3.82 5.98 7.64 -1.26 -3.77 113.62 117.24 2qp0 n SER 127 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.48 2qp0 n SER 127 Cb 0.06 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.20 2qp0 n SER 127 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2qp0 n LYS 128 N 0.00 1.41 0.00 1.43 3.00 -1.26 -5.37 118.16 117.37 2qp0 n LYS 128 Ca 0.00 -1.92 0.00 0.00 -0.00 0.00 0.00 58.31 56.39 2qp0 n LYS 128 Cb 0.00 -3.07 0.00 0.00 0.00 0.00 0.00 35.03 31.96 2qp0 n LYS 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94