#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbc n ILE 2 N 0.00 0.00 -3.60 3.17 -0.00 -1.26 -4.84 119.36 112.83 2qbc n ILE 2 Ca 0.00 -0.41 -0.29 0.00 -0.00 0.00 0.00 62.75 62.05 2qbc n ILE 2 Cb 0.00 1.07 -0.15 0.00 -0.00 0.00 0.00 39.64 40.55 2qbc n ILE 2 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 2qbc s ARG 3 N -1.17 0.33 0.52 6.28 1.81 -1.26 -5.13 118.95 120.33 2qbc s ARG 3 Ca 0.05 -0.61 -0.18 0.00 -1.72 0.00 0.00 55.73 53.26 2qbc s ARG 3 Cb 0.05 -1.46 -0.12 0.00 -0.45 0.00 0.00 34.95 32.98 2qbc s ARG 3 CO 0.19 -0.96 0.22 -1.91 -0.68 0.00 0.00 175.30 172.16 2qbc n GLU 4 N 5.15 0.27 0.13 3.54 0.00 -1.26 -4.89 120.64 123.57 2qbc n GLU 4 Ca -0.05 0.10 0.12 0.00 0.00 0.00 0.00 57.16 57.33 2qbc n GLU 4 Cb 0.43 -1.35 0.13 0.00 0.00 0.00 0.00 31.44 30.65 2qbc n GLU 4 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 2qbc h GLU 5 N 0.18 0.00 0.00 5.31 4.11 -2.00 -3.22 114.58 118.96 2qbc h GLU 5 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 2qbc h GLU 5 Cb 1.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.67 2qbc h GLU 5 CO 0.45 0.00 0.00 0.54 0.07 0.00 0.00 179.01 180.07 2qbc n ARG 6 N -2.64 0.01 0.00 1.06 1.74 -1.26 0.05 116.66 115.61 2qbc n ARG 6 Ca 0.02 0.41 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 2qbc n ARG 6 Cb 0.51 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 2qbc n ARG 6 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2qbc n LEU 7 N -1.47 0.61 -0.50 0.55 -0.00 -1.22 -4.63 117.00 110.33 2qbc n LEU 7 Ca 0.01 -0.79 0.00 0.00 -0.00 0.00 0.00 56.01 55.23 2qbc n LEU 7 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.46 2qbc n LEU 7 CO 0.04 0.15 0.22 0.18 -0.00 0.00 0.00 177.39 177.98 2qbc n LEU 8 N -0.40 0.90 -0.76 -1.96 4.77 0.11 -2.90 117.00 116.75 2qbc n LEU 8 Ca 0.00 -0.45 0.13 0.00 -0.03 0.00 0.00 56.01 55.66 2qbc n LEU 8 Cb 0.01 -0.44 0.30 0.00 -2.33 0.00 0.00 43.42 40.95 2qbc n LEU 8 CO 0.00 0.22 0.74 2.29 -1.33 0.00 0.00 177.39 179.32 2qbc n LYS 9 N 0.06 2.04 -0.09 3.23 0.00 -1.26 -4.62 118.16 117.52 2qbc n LYS 9 Ca 0.00 -1.52 -0.01 0.00 -0.00 0.00 0.00 58.31 56.78 2qbc n LYS 9 Cb 0.22 -1.47 0.00 0.00 -0.00 0.00 0.00 35.03 33.79 2qbc n LYS 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2qbc n VAL 10 N 0.83 -0.12 -1.53 0.58 0.31 -1.14 -3.85 118.33 113.39 2qbc n VAL 10 Ca 0.17 0.51 -0.30 0.00 -0.01 0.00 0.00 64.34 64.71 2qbc n VAL 10 Cb 0.49 -0.67 -0.09 0.00 -0.91 0.00 0.00 33.84 32.66 2qbc n VAL 10 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2qbc n LEU 11 N -4.31 1.22 0.09 7.52 7.99 -1.26 -3.18 117.00 125.08 2qbc n LEU 11 Ca 0.02 -0.59 -0.15 0.00 -0.01 0.00 0.00 56.01 55.28 2qbc n LEU 11 Cb 0.08 -1.31 -0.11 0.00 -0.11 0.00 0.00 43.42 41.97 2qbc n LEU 11 CO -0.03 -1.61 0.03 0.03 -1.51 0.00 0.00 177.39 174.30 2qbc h ARG 12 N 15.13 0.29 -1.25 3.23 2.47 -1.56 -3.48 114.38 129.21 2qbc h ARG 12 Ca -0.10 -0.43 0.18 0.00 -1.26 0.00 0.00 59.98 58.37 2qbc h ARG 12 Cb 1.20 0.15 -0.26 0.00 -1.65 0.00 0.00 29.97 29.40 2qbc h ARG 12 CO 1.24 1.17 0.79 0.00 0.56 0.00 0.00 179.97 183.73 2qbc s ALA 13 N -2.83 -2.06 -0.49 0.04 0.00 0.20 -5.02 121.76 111.60 2qbc s ALA 13 Ca -0.04 1.78 -0.29 0.00 0.00 0.00 0.00 51.96 53.41 2qbc s ALA 13 Cb 0.08 -1.28 0.03 0.00 0.00 0.00 0.00 23.12 21.95 2qbc s ALA 13 CO 0.87 -0.25 1.16 -1.25 0.00 0.00 0.00 175.76 176.30 2qbc s PRO 14 N -0.91 3.68 0.17 0.00 0.04 -1.26 0.73 135.00 137.45 2qbc s PRO 14 Ca 0.05 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.62 2qbc s PRO 14 Cb -0.01 -3.93 0.04 0.00 0.04 0.00 0.00 34.50 30.64 2qbc s PRO 14 CO -0.05 -1.44 1.41 1.25 0.04 0.00 0.00 177.00 178.21 2qbc h HIS 15 N 9.37 0.45 0.00 0.56 2.76 -1.83 -3.45 115.15 123.00 2qbc h HIS 15 Ca -0.24 -0.22 0.00 0.00 -2.20 0.00 0.00 60.37 57.72 2qbc h HIS 15 Cb 1.06 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.96 2qbc h HIS 15 CO 0.99 0.99 0.00 0.28 -1.30 0.00 0.00 177.93 178.88 2qbc n VAL 16 N -3.77 0.00 -4.06 5.26 0.31 -1.19 -4.84 118.33 110.03 2qbc n VAL 16 Ca -0.04 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.16 2qbc n VAL 16 Cb 0.75 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.55 2qbc n VAL 16 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2qbc s SER 17 N 0.00 0.65 0.43 4.52 0.01 -1.26 -4.76 113.70 113.29 2qbc s SER 17 Ca 0.00 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 56.86 2qbc s SER 17 Cb 0.00 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.25 2qbc s SER 17 CO 0.00 -0.15 0.00 -0.62 0.41 0.00 0.00 173.24 172.88 2qbc n GLU 18 N 1.92 -2.77 0.00 12.44 -0.58 -1.26 -2.58 120.64 127.82 2qbc n GLU 18 Ca -0.20 2.06 0.00 0.00 -0.42 0.00 0.00 57.16 58.60 2qbc n GLU 18 Cb 0.56 -3.30 0.00 0.00 -0.57 0.00 0.00 31.44 28.13 2qbc n GLU 18 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2qbc n LYS 19 N -4.10 0.20 0.01 3.49 4.81 -1.26 -2.82 118.16 118.50 2qbc n LYS 19 Ca -0.03 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.41 2qbc n LYS 19 Cb 0.60 -1.35 -0.00 0.00 0.02 0.00 0.00 35.03 34.30 2qbc n LYS 19 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qbc n ALA 20 N 0.81 2.90 -0.03 3.14 0.00 -1.25 -4.43 120.51 121.66 2qbc n ALA 20 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2qbc n ALA 20 Cb 0.09 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.59 2qbc n ALA 20 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2qbc n SER 21 N -2.69 0.00 -0.17 0.00 7.64 -1.06 0.85 113.62 118.19 2qbc n SER 21 Ca -0.00 0.99 -0.03 0.00 1.01 0.00 0.00 58.87 60.84 2qbc n SER 21 Cb 0.00 -0.49 0.04 0.00 -1.01 0.00 0.00 64.21 62.76 2qbc n SER 21 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2qbc h THR 22 N 0.00 0.44 0.20 0.44 1.35 -1.74 -0.76 112.91 112.83 2qbc h THR 22 Ca 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 65.87 2qbc h THR 22 Cb 0.00 0.44 -0.04 0.00 -1.73 0.00 0.00 68.15 66.81 2qbc h THR 22 CO 0.00 0.00 -0.53 0.00 -0.25 0.00 0.00 175.52 174.74 2qbc h ALA 23 N 1.48 -1.03 0.00 6.62 0.00 -1.69 1.82 119.26 126.46 2qbc h ALA 23 Ca 0.25 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2qbc h ALA 23 Cb 0.41 0.87 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2qbc h ALA 23 CO -0.56 -1.14 0.00 -1.33 0.00 0.00 0.00 179.25 176.22 2qbc n MET 24 N -5.50 0.78 0.00 0.00 2.81 0.25 -2.40 117.12 113.06 2qbc n MET 24 Ca -0.09 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.80 2qbc n MET 24 Cb 0.43 -1.11 0.00 0.00 -0.71 0.00 0.00 33.22 31.83 2qbc n MET 24 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2qbc n GLU 25 N 1.10 0.00 0.04 0.03 2.13 0.11 -4.34 120.64 119.71 2qbc n GLU 25 Ca 0.00 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.91 2qbc n GLU 25 Cb 0.39 -0.43 0.37 0.00 0.27 0.00 0.00 31.44 32.04 2qbc n GLU 25 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2qbc n LYS 26 N -1.47 0.06 -0.11 5.31 4.76 0.58 -1.54 118.16 125.76 2qbc n LYS 26 Ca 0.00 0.31 -0.13 0.00 -2.87 0.00 0.00 58.31 55.61 2qbc n LYS 26 Cb 0.00 -1.62 -0.13 0.00 -1.84 0.00 0.00 35.03 31.44 2qbc n LYS 26 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2qbc n SER 27 N -1.74 1.27 0.00 4.39 2.88 -1.12 -5.09 113.62 114.21 2qbc n SER 27 Ca 0.03 -0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 2qbc n SER 27 Cb 0.19 0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 2qbc n SER 27 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2qbc n ASN 28 N -2.96 0.00 -1.37 -3.46 6.94 -0.59 -5.12 115.26 108.70 2qbc n ASN 28 Ca -0.37 0.00 0.17 0.00 -0.02 0.00 0.00 54.58 54.36 2qbc n ASN 28 Cb 1.03 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 38.39 2qbc n ASN 28 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2qbc n THR 29 N -0.81 0.00 -3.75 5.53 -2.24 -1.26 -2.27 114.28 109.48 2qbc n THR 29 Ca 0.00 0.43 -0.13 0.00 -2.27 0.00 0.00 64.05 62.08 2qbc n THR 29 Cb 0.00 -0.88 -0.10 0.00 -2.10 0.00 0.00 70.33 67.25 2qbc n THR 29 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2qbc s ILE 30 N -3.22 0.00 0.28 2.28 2.07 -1.26 -4.16 121.20 117.19 2qbc s ILE 30 Ca 0.00 -0.04 0.08 0.00 -1.41 0.00 0.00 60.65 59.28 2qbc s ILE 30 Cb 0.00 -0.52 -0.04 0.00 0.13 0.00 0.00 42.46 42.03 2qbc s ILE 30 CO 0.00 -0.02 0.11 0.68 -1.91 0.00 0.00 174.94 173.80 2qbc s VAL 31 N 0.06 3.73 0.00 4.00 -7.23 -1.26 0.60 120.40 120.30 2qbc s VAL 31 Ca -0.01 -1.67 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 2qbc s VAL 31 Cb -0.03 -3.08 0.00 0.00 0.56 0.00 0.00 36.38 33.83 2qbc s VAL 31 CO 0.01 -0.32 0.00 0.00 -0.31 0.00 0.00 175.10 174.48 2qbc n LEU 32 N -1.07 0.00 -4.63 1.32 -0.00 -1.26 -3.17 117.00 108.19 2qbc n LEU 32 Ca -0.06 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.52 2qbc n LEU 32 Cb 0.59 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.98 2qbc n LEU 32 CO 0.42 0.00 1.65 -0.75 -0.00 0.00 0.00 177.39 178.71 2qbc s LYS 33 N -1.28 3.64 -0.53 1.47 2.20 0.22 -1.19 119.74 124.27 2qbc s LYS 33 Ca 0.00 2.15 0.04 0.00 -0.36 0.00 0.00 55.97 57.79 2qbc s LYS 33 Cb 0.00 -4.22 0.15 0.00 -1.51 0.00 0.00 37.83 32.25 2qbc s LYS 33 CO 0.00 -1.51 0.33 0.14 -0.36 0.00 0.00 175.35 173.95 2qbc s VAL 34 N 6.21 2.04 0.00 4.02 -7.23 -1.24 -0.63 120.40 123.57 2qbc s VAL 34 Ca 0.89 -3.27 0.00 0.00 -1.81 0.00 0.00 61.98 57.80 2qbc s VAL 34 Cb -0.34 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.21 2qbc s VAL 34 CO 0.36 -0.94 0.00 0.00 -0.31 0.00 0.00 175.10 174.21 2qbc n ALA 35 N 2.90 0.00 0.00 1.32 0.00 -1.19 -4.58 120.51 118.96 2qbc n ALA 35 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2qbc n ALA 35 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 2qbc n ALA 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2qbc n LYS 36 N -0.01 0.17 0.00 0.00 0.00 -1.26 -2.37 118.16 114.69 2qbc n LYS 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 2qbc n LYS 36 Cb 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 35.03 34.14 2qbc n LYS 36 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2qbc n ASP 37 N -2.26 0.00 0.00 3.14 10.43 -1.26 -4.86 116.55 121.74 2qbc n ASP 37 Ca 0.00 0.91 0.00 0.00 2.57 0.00 0.00 54.79 58.27 2qbc n ASP 37 Cb 0.39 -0.48 0.00 0.00 1.84 0.00 0.00 41.12 42.87 2qbc n ASP 37 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2qbc n ALA 38 N -1.95 0.00 0.00 2.24 0.00 -1.26 -4.91 120.51 114.63 2qbc n ALA 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qbc n ALA 38 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qbc n ALA 38 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2qbc n THR 39 N 0.00 0.00 0.00 0.00 5.66 -1.26 -4.93 114.28 113.75 2qbc n THR 39 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2qbc n THR 39 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2qbc n THR 39 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2qbc n LYS 40 N 0.00 0.00 0.14 1.09 5.02 -1.26 -4.26 118.16 118.89 2qbc n LYS 40 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 2qbc n LYS 40 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 34.93 2qbc n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qbc h ALA 41 N 0.00 -0.36 0.00 7.82 0.00 -1.94 0.64 119.26 125.42 2qbc h ALA 41 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2qbc h ALA 41 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2qbc h ALA 41 CO 0.00 -0.56 0.00 -0.85 0.00 0.00 0.00 179.25 177.84 2qbc n GLU 42 N -5.13 0.55 -0.10 0.00 0.28 -1.26 -1.06 120.64 113.92 2qbc n GLU 42 Ca -0.09 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.72 2qbc n GLU 42 Cb 0.24 -1.46 -0.12 0.00 1.43 0.00 0.00 31.44 31.53 2qbc n GLU 42 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2qbc n ILE 43 N -0.96 1.56 0.39 3.84 5.41 -0.71 -3.44 119.36 125.45 2qbc n ILE 43 Ca 0.12 -0.59 -0.15 0.00 1.00 0.00 0.00 62.75 63.13 2qbc n ILE 43 Cb 0.05 -1.50 -0.07 0.00 -0.71 0.00 0.00 39.64 37.41 2qbc n ILE 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2qbc h LYS 44 N 0.00 -0.97 -0.12 0.38 3.64 0.19 -0.83 116.57 118.86 2qbc h LYS 44 Ca -0.55 0.07 0.03 0.00 -1.27 0.00 0.00 60.65 58.93 2qbc h LYS 44 Cb 1.93 0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 33.96 2qbc h LYS 44 CO -0.05 -0.65 0.26 0.00 -2.27 0.00 0.00 179.45 176.74 2qbc h ALA 45 N -1.32 1.53 -0.13 5.00 0.00 -1.32 0.64 119.26 123.66 2qbc h ALA 45 Ca -0.10 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 2qbc h ALA 45 Cb 0.77 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2qbc h ALA 45 CO 0.17 -0.32 -0.69 0.00 0.00 0.00 0.00 179.25 178.41 2qbc h ALA 46 N 1.58 0.54 -0.01 0.00 0.00 -1.43 -2.20 119.26 117.75 2qbc h ALA 46 Ca 0.05 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2qbc h ALA 46 Cb 0.58 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2qbc h ALA 46 CO -0.00 0.72 -0.18 0.28 0.00 0.00 0.00 179.25 180.07 2qbc n VAL 47 N -3.90 0.00 -0.03 0.00 0.31 0.20 -2.95 118.33 111.96 2qbc n VAL 47 Ca -0.05 -0.11 -0.01 0.00 -0.01 0.00 0.00 64.34 64.17 2qbc n VAL 47 Cb 0.69 0.19 -0.00 0.00 -0.91 0.00 0.00 33.84 33.81 2qbc n VAL 47 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2qbc h GLN 48 N 1.01 0.00 0.28 5.55 1.08 -0.44 -2.84 115.11 119.76 2qbc h GLN 48 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2qbc h GLN 48 Cb 0.44 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 2qbc h GLN 48 CO 0.00 0.00 -0.26 0.87 -0.95 0.00 0.00 178.83 178.49 2qbc h LYS 49 N -0.49 -0.52 -7.28 1.46 1.79 -1.56 -2.86 116.57 107.11 2qbc h LYS 49 Ca 0.00 0.04 -0.50 0.00 -2.18 0.00 0.00 60.65 58.01 2qbc h LYS 49 Cb 0.09 0.12 0.07 0.00 -1.58 0.00 0.00 32.23 30.92 2qbc h LYS 49 CO 0.00 -0.35 0.38 -0.51 -1.08 0.00 0.00 179.45 177.89 2qbc s LEU 50 N -7.34 3.33 0.00 2.94 2.01 -1.15 -3.33 118.68 115.14 2qbc s LEU 50 Ca -0.09 1.64 0.00 0.00 0.01 0.00 0.00 54.13 55.68 2qbc s LEU 50 Cb 0.02 -4.50 0.00 0.00 0.01 0.00 0.00 46.19 41.72 2qbc s LEU 50 CO 0.31 -1.14 0.00 0.49 1.01 0.00 0.00 176.35 177.02 2qbc n PHE 51 N -2.51 0.00 -3.67 0.29 3.01 -1.26 -4.21 117.46 109.11 2qbc n PHE 51 Ca 0.07 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.30 2qbc n PHE 51 Cb 0.53 -0.00 0.03 0.00 -0.01 0.00 0.00 39.48 40.04 2qbc n PHE 51 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2qbc n GLU 52 N -0.01 -3.41 -4.31 -1.08 1.02 -1.08 -4.99 120.64 106.77 2qbc n GLU 52 Ca 0.00 0.58 -0.25 0.00 -0.02 0.00 0.00 57.16 57.47 2qbc n GLU 52 Cb 0.00 -4.89 -0.08 0.00 -0.02 0.00 0.00 31.44 26.45 2qbc n GLU 52 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2qbc s VAL 53 N -3.62 2.49 0.01 2.62 1.01 -1.07 -5.04 120.40 116.79 2qbc s VAL 53 Ca 0.18 -1.90 -0.22 0.00 0.00 0.00 0.00 61.98 60.05 2qbc s VAL 53 Cb -0.05 -2.87 -0.12 0.00 0.00 0.00 0.00 36.38 33.33 2qbc s VAL 53 CO 0.83 -0.13 0.99 -0.33 0.00 0.00 0.00 175.10 176.46 2qbc h GLU 54 N 1.70 -0.75 -4.41 2.72 4.39 -1.88 -3.41 114.58 112.95 2qbc h GLU 54 Ca -0.43 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.33 2qbc h GLU 54 Cb 1.25 0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 30.02 2qbc h GLU 54 CO 0.69 -0.50 -0.89 0.28 -1.16 0.00 0.00 179.01 177.43 2qbc n VAL 55 N -4.89 -9.37 0.01 3.13 0.31 -1.26 -4.73 118.33 101.52 2qbc n VAL 55 Ca -0.10 1.60 -0.13 0.00 -0.01 0.00 0.00 64.34 65.70 2qbc n VAL 55 Cb 0.31 -5.82 -0.10 0.00 -0.91 0.00 0.00 33.84 27.32 2qbc n VAL 55 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2qbc h GLU 56 N 2.44 -0.06 0.00 5.55 4.81 -0.43 -3.43 114.58 123.46 2qbc h GLU 56 Ca -0.20 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 2qbc h GLU 56 Cb 0.44 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.83 2qbc h GLU 56 CO 0.04 0.43 0.00 1.55 -0.73 0.00 0.00 179.01 180.30 2qbc n VAL 57 N -4.88 0.00 0.00 0.32 3.14 -1.16 -4.99 118.33 110.77 2qbc n VAL 57 Ca -0.09 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.29 2qbc n VAL 57 Cb 0.26 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.04 2qbc n VAL 57 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 2qbc n VAL 58 N 0.00 0.00 -3.80 1.55 3.14 -1.17 -4.43 118.33 113.63 2qbc n VAL 58 Ca 0.00 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.01 2qbc n VAL 58 Cb 0.00 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 32.65 2qbc n VAL 58 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 2qbc s ASN 59 N 0.00 5.09 0.44 6.55 0.01 -0.08 -4.96 114.94 121.99 2qbc s ASN 59 Ca 0.00 -0.99 0.05 0.00 -0.71 0.00 0.00 52.86 51.21 2qbc s ASN 59 Cb 0.00 -1.83 0.01 0.00 0.41 0.00 0.00 41.25 39.84 2qbc s ASN 59 CO 0.00 -0.25 0.62 0.42 -1.51 0.00 0.00 177.10 176.37 2qbc s THR 60 N 1.41 3.31 -0.30 1.60 -4.23 -1.25 -3.99 115.64 112.19 2qbc s THR 60 Ca -0.01 -0.83 -0.16 0.00 -1.18 0.00 0.00 61.69 59.51 2qbc s THR 60 Cb -0.18 -3.17 0.19 0.00 1.34 0.00 0.00 72.50 70.67 2qbc s THR 60 CO 0.01 -0.09 1.15 -1.48 -0.54 0.00 0.00 174.62 173.68 2qbc s LEU 61 N -4.45 -0.24 0.92 4.79 0.05 -1.22 -4.89 118.68 113.64 2qbc s LEU 61 Ca 0.52 0.37 -0.13 0.00 0.05 0.00 0.00 54.13 54.95 2qbc s LEU 61 Cb -0.10 1.34 0.14 0.00 -2.05 0.00 0.00 46.19 45.52 2qbc s LEU 61 CO 0.35 -0.06 1.14 -0.69 -0.55 0.00 0.00 176.35 176.54 2qbc s VAL 62 N 1.27 1.99 -0.06 1.48 1.01 -1.26 -0.89 120.40 123.94 2qbc s VAL 62 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 2qbc s VAL 62 Cb -0.03 -2.75 0.03 0.00 0.00 0.00 0.00 36.38 33.63 2qbc s VAL 62 CO -0.12 0.00 0.02 -0.69 0.00 0.00 0.00 175.10 174.31 2qbc s VAL 63 N -3.28 0.23 0.47 2.92 1.01 0.86 -4.88 120.40 117.73 2qbc s VAL 63 Ca 0.64 0.21 0.33 0.00 0.00 0.00 0.00 61.98 63.16 2qbc s VAL 63 Cb -0.14 -0.42 0.53 0.00 0.00 0.00 0.00 36.38 36.34 2qbc s VAL 63 CO 0.53 0.24 1.68 0.11 0.00 0.00 0.00 175.10 177.66 2qbc h LYS 64 N 8.36 0.11 -3.80 2.72 6.56 -1.89 -3.12 116.57 125.50 2qbc h LYS 64 Ca -0.17 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.41 2qbc h LYS 64 Cb 1.12 -0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 32.73 2qbc h LYS 64 CO 0.23 0.07 -0.71 0.41 -2.06 0.00 0.00 179.45 177.38 2qbc n GLY 65 N -1.64 -4.50 3.35 3.86 0.00 -1.26 -4.48 105.19 100.52 2qbc n GLY 65 Ca 0.34 0.22 -0.35 0.00 0.00 0.00 0.00 46.02 46.23 2qbc n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbc n LYS 66 N 1.05 -0.02 -3.91 1.61 5.02 -1.26 -4.32 118.16 116.32 2qbc n LYS 66 Ca -0.09 0.03 -0.15 0.00 -2.02 0.00 0.00 58.31 56.08 2qbc n LYS 66 Cb 0.15 -1.65 -0.15 0.00 -0.02 0.00 0.00 35.03 33.36 2qbc n LYS 66 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qbc s VAL 67 N -2.14 0.11 -0.10 -0.18 0.11 -1.26 -1.48 120.40 115.45 2qbc s VAL 67 Ca 0.57 0.05 -0.33 0.00 -2.93 0.00 0.00 61.98 59.34 2qbc s VAL 67 Cb -0.27 -0.17 0.14 0.00 -1.53 0.00 0.00 36.38 34.55 2qbc s VAL 67 CO 0.67 0.09 1.35 -1.59 -3.33 0.00 0.00 175.10 172.28 2qbc s LYS 68 N 0.58 0.21 0.00 1.54 0.00 -0.12 -4.97 119.74 116.97 2qbc s LYS 68 Ca -0.05 -0.11 0.00 0.00 0.00 0.00 0.00 55.97 55.81 2qbc s LYS 68 Cb -0.08 0.07 0.00 0.00 0.00 0.00 0.00 37.83 37.82 2qbc s LYS 68 CO -0.01 -0.09 0.00 -2.13 0.00 0.00 0.00 175.35 173.11 2qbc n ARG 69 N -0.39 0.00 -2.40 1.78 3.00 -1.26 -3.08 116.66 114.32 2qbc n ARG 69 Ca -0.06 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.50 2qbc n ARG 69 Cb 0.62 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 33.08 2qbc n ARG 69 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 2qbc s HIS 70 N -2.00 3.57 0.00 -0.14 -3.43 -1.26 -4.76 115.29 107.27 2qbc s HIS 70 Ca 0.00 1.03 0.00 0.00 -0.80 0.00 0.00 55.06 55.29 2qbc s HIS 70 Cb 0.00 -2.48 0.00 0.00 -1.43 0.00 0.00 32.58 28.67 2qbc s HIS 70 CO 0.00 -0.40 0.00 0.41 -2.00 0.00 0.00 174.74 172.75 2qbc n GLY 71 N -2.28 -1.56 0.00 -1.38 0.00 -1.26 -3.89 105.19 94.82 2qbc n GLY 71 Ca 0.03 -1.30 0.12 0.00 0.00 0.00 0.00 46.02 44.87 2qbc n GLY 71 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qbc n GLN 72 N -0.23 0.50 -4.26 1.61 6.02 -1.26 -4.74 117.38 115.01 2qbc n GLN 72 Ca 0.00 0.04 -0.24 0.00 -0.01 0.00 0.00 57.00 56.79 2qbc n GLN 72 Cb 0.00 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 29.69 2qbc n GLN 72 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2qbc s ARG 73 N -2.35 2.34 0.38 -1.09 1.81 -1.25 -5.15 118.95 113.63 2qbc s ARG 73 Ca 0.28 -1.31 0.06 0.00 -1.72 0.00 0.00 55.73 53.03 2qbc s ARG 73 Cb 0.16 -2.23 -0.02 0.00 -0.45 0.00 0.00 34.95 32.41 2qbc s ARG 73 CO 0.33 0.39 0.20 1.51 -0.68 0.00 0.00 175.30 177.06 2qbc n ILE 74 N -0.66 0.00 -3.64 1.52 0.13 -1.26 -4.17 119.36 111.28 2qbc n ILE 74 Ca -0.08 -2.42 -0.06 0.00 -1.10 0.00 0.00 62.75 59.10 2qbc n ILE 74 Cb 0.58 1.01 -0.07 0.00 -0.84 0.00 0.00 39.64 40.32 2qbc n ILE 74 CO 0.00 0.00 0.00 -0.83 2.80 0.00 0.00 176.55 178.52 2qbc s GLY 75 N -3.45 -0.46 0.15 4.50 0.00 -1.18 -4.92 107.32 101.96 2qbc s GLY 75 Ca 0.29 2.63 0.06 0.00 0.00 0.00 0.00 44.72 47.69 2qbc s GLY 75 CO 0.20 2.47 0.07 -1.60 0.00 0.00 0.00 173.10 174.24 2qbc s ARG 76 N 1.58 2.69 0.00 2.90 3.52 -1.26 -0.95 118.95 127.42 2qbc s ARG 76 Ca -0.10 -0.92 0.00 0.00 -0.13 0.00 0.00 55.73 54.58 2qbc s ARG 76 Cb -0.05 -2.55 0.00 0.00 -1.56 0.00 0.00 34.95 30.80 2qbc s ARG 76 CO -0.19 0.49 0.00 0.54 -0.81 0.00 0.00 175.30 175.34 2qbc n ARG 77 N -0.06 1.85 -4.44 5.12 1.74 -0.55 -4.99 116.66 115.33 2qbc n ARG 77 Ca -0.09 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.75 2qbc n ARG 77 Cb 0.54 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.88 2qbc n ARG 77 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2qbc s SER 78 N -1.00 3.43 0.16 0.55 0.01 -1.26 -4.96 113.70 110.63 2qbc s SER 78 Ca 0.00 -0.98 -0.11 0.00 1.31 0.00 0.00 55.95 56.17 2qbc s SER 78 Cb 0.00 -0.27 -0.07 0.00 0.21 0.00 0.00 66.02 65.89 2qbc s SER 78 CO 0.00 0.04 0.51 -1.81 0.41 0.00 0.00 173.24 172.40 2qbc s ASP 79 N -3.22 6.71 0.04 2.44 1.01 -1.26 -4.11 116.67 118.27 2qbc s ASP 79 Ca 0.26 0.95 -0.12 0.00 0.71 0.00 0.00 52.55 54.35 2qbc s ASP 79 Cb -0.06 -2.24 0.01 0.00 1.01 0.00 0.00 42.92 41.65 2qbc s ASP 79 CO 0.13 0.05 0.25 -1.66 0.21 0.00 0.00 175.17 174.15 2qbc s TRP 80 N -1.58 -0.03 0.66 4.23 1.48 -1.18 -4.91 118.94 117.61 2qbc s TRP 80 Ca 0.40 -0.13 -0.05 0.00 -1.06 0.00 0.00 56.10 55.26 2qbc s TRP 80 Cb -0.13 0.03 0.05 0.00 -1.16 0.00 0.00 33.47 32.25 2qbc s TRP 80 CO 0.20 -0.45 0.96 0.21 -4.06 0.00 0.00 176.95 173.80 2qbc s LYS 81 N -2.44 2.40 0.02 3.25 2.20 -1.00 -0.10 119.74 124.08 2qbc s LYS 81 Ca -0.06 -0.27 0.05 0.00 -0.36 0.00 0.00 55.97 55.34 2qbc s LYS 81 Cb -0.01 -2.23 -0.02 0.00 -1.51 0.00 0.00 37.83 34.05 2qbc s LYS 81 CO -0.03 -1.05 -0.16 0.21 -0.36 0.00 0.00 175.35 173.96 2qbc s LYS 82 N -5.13 1.17 0.00 4.03 2.20 -0.07 -3.73 119.74 118.21 2qbc s LYS 82 Ca 0.58 -0.72 0.00 0.00 -0.36 0.00 0.00 55.97 55.48 2qbc s LYS 82 Cb -0.11 -1.19 0.00 0.00 -1.51 0.00 0.00 37.83 35.03 2qbc s LYS 82 CO 0.44 0.31 0.07 0.00 -0.36 0.00 0.00 175.35 175.81 2qbc n ALA 83 N 2.22 0.00 -3.26 3.13 0.00 -0.33 -3.37 120.51 118.90 2qbc n ALA 83 Ca -0.16 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.14 2qbc n ALA 83 Cb 0.54 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.05 2qbc n ALA 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qbc n TYR 84 N -0.26 -2.52 0.09 0.00 4.02 -1.00 -3.29 117.16 114.19 2qbc n TYR 84 Ca 0.00 0.88 -0.12 0.00 -0.01 0.00 0.00 57.90 58.65 2qbc n TYR 84 Cb 0.00 -4.05 -0.08 0.00 -0.02 0.00 0.00 39.34 35.19 2qbc n TYR 84 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2qbc h VAL 85 N -0.81 0.85 -3.70 -0.72 2.07 -0.12 -0.19 116.25 113.62 2qbc h VAL 85 Ca -0.49 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.12 2qbc h VAL 85 Cb 1.25 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 2qbc h VAL 85 CO 0.41 0.19 -0.68 0.35 0.02 0.00 0.00 177.57 177.86 2qbc n THR 86 N -5.00-10.05 -4.40 2.57 -2.24 -1.26 -3.02 114.28 90.88 2qbc n THR 86 Ca -0.09 2.28 -0.32 0.00 -2.27 0.00 0.00 64.05 63.65 2qbc n THR 86 Cb 0.26 -4.94 -0.10 0.00 -2.10 0.00 0.00 70.33 63.45 2qbc n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2qbc s LEU 87 N -0.40 3.31 0.00 3.22 1.43 -1.26 0.23 118.68 125.22 2qbc s LEU 87 Ca 0.00 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 2qbc s LEU 87 Cb 0.00 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.34 2qbc s LEU 87 CO 0.00 0.29 0.00 0.29 0.23 0.00 0.00 176.35 177.16 2qbc n LYS 88 N 1.55 0.00 0.00 1.70 4.76 -1.26 -4.56 118.16 120.35 2qbc n LYS 88 Ca -0.15 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.29 2qbc n LYS 88 Cb 0.53 -0.36 0.00 0.00 -1.84 0.00 0.00 35.03 33.35 2qbc n LYS 88 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2qbc n GLU 89 N 0.00 -0.59 0.00 1.97 -0.58 -1.26 -4.65 120.64 115.53 2qbc n GLU 89 Ca 0.00 -0.41 0.07 0.00 -0.42 0.00 0.00 57.16 56.40 2qbc n GLU 89 Cb 0.00 -0.86 0.34 0.00 -0.57 0.00 0.00 31.44 30.35 2qbc n GLU 89 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qbc n GLY 90 N -0.02 -0.70 3.57 0.62 0.00 -1.26 -4.57 105.19 102.83 2qbc n GLY 90 Ca 0.00 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 2qbc n GLY 90 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qbc s GLN 91 N -2.52 1.51 -0.00 1.61 -0.21 -1.26 -4.34 119.66 114.46 2qbc s GLN 91 Ca 0.13 0.03 0.00 0.00 0.02 0.00 0.00 55.36 55.54 2qbc s GLN 91 Cb 0.09 -4.89 -0.00 0.00 1.00 0.00 0.00 33.01 29.21 2qbc s GLN 91 CO 0.20 -4.79 -0.00 0.09 -2.12 0.00 0.00 175.29 168.66 2qbc n ASN 92 N 18.68 4.17 -0.35 5.90 5.03 -1.26 -5.16 115.26 142.27 2qbc n ASN 92 Ca 0.44 -0.00 0.04 0.00 0.87 0.00 0.00 54.58 55.93 2qbc n ASN 92 Cb 0.45 0.09 0.04 0.00 -1.02 0.00 0.00 39.78 39.34 2qbc n ASN 92 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61