#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qam n ILE 2 N 0.00 0.00 -3.72 3.17 -0.00 -1.26 -5.09 119.36 112.46 2qam n ILE 2 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 62.75 62.52 2qam n ILE 2 Cb 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 39.64 39.46 2qam n ILE 2 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2qam s ARG 3 N -2.00 0.35 0.50 6.28 3.03 -1.26 -5.15 118.95 120.70 2qam s ARG 3 Ca 0.00 0.12 -0.15 0.00 2.03 0.00 0.00 55.73 57.73 2qam s ARG 3 Cb 0.00 -1.03 -0.07 0.00 -1.03 0.00 0.00 34.95 32.82 2qam s ARG 3 CO 0.00 -0.38 0.94 -2.00 -1.13 0.00 0.00 175.30 172.73 2qam s GLU 4 N 2.04 3.89 0.49 3.89 -6.30 -1.26 -4.95 118.70 116.50 2qam s GLU 4 Ca 0.04 0.83 0.28 0.00 -2.50 0.00 0.00 54.97 53.62 2qam s GLU 4 Cb -0.13 -2.19 1.16 0.00 0.00 0.00 0.00 34.13 32.97 2qam s GLU 4 CO -0.05 -0.24 1.92 1.05 0.02 0.00 0.00 175.26 177.96 2qam h GLU 5 N 0.91 0.00 -0.26 4.30 4.11 -2.00 -1.30 114.58 120.34 2qam h GLU 5 Ca -0.47 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.04 2qam h GLU 5 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2qam h GLU 5 CO 0.62 0.14 0.25 0.00 0.07 0.00 0.00 179.01 180.09 2qam h ARG 6 N 0.00 0.00 0.00 1.06 2.47 -2.05 0.20 114.38 116.07 2qam h ARG 6 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2qam h ARG 6 Cb 0.60 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.92 2qam h ARG 6 CO 0.02 0.00 -0.64 -0.11 0.56 0.00 0.00 179.97 179.80 2qam n LEU 7 N -3.91 0.43 -1.85 3.04 -0.00 -0.83 -4.65 117.00 109.23 2qam n LEU 7 Ca 0.03 -0.43 -0.02 0.00 -0.00 0.00 0.00 56.01 55.60 2qam n LEU 7 Cb 0.40 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.80 2qam n LEU 7 CO 0.29 0.11 0.67 0.18 -0.00 0.00 0.00 177.39 178.64 2qam n LEU 8 N -1.34 2.84 -2.10 -1.96 4.77 0.71 -3.86 117.00 116.07 2qam n LEU 8 Ca 0.01 -1.44 -0.27 0.00 -0.03 0.00 0.00 56.01 54.29 2qam n LEU 8 Cb 0.18 -0.64 0.04 0.00 -2.33 0.00 0.00 43.42 40.68 2qam n LEU 8 CO 0.22 0.57 0.62 2.29 -1.33 0.00 0.00 177.39 179.76 2qam n LYS 9 N 1.97 3.26 0.18 3.23 0.00 -1.26 -4.77 118.16 120.77 2qam n LYS 9 Ca 0.05 -3.85 -0.08 0.00 -0.00 0.00 0.00 58.31 54.43 2qam n LYS 9 Cb 0.32 -2.27 -0.04 0.00 -0.00 0.00 0.00 35.03 33.04 2qam n LYS 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2qam h VAL 10 N 1.76 0.00 -1.12 0.58 2.07 -1.84 -3.43 116.25 114.27 2qam h VAL 10 Ca 0.45 -0.48 -0.63 0.00 0.82 0.00 0.00 66.70 66.86 2qam h VAL 10 Cb 1.30 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2qam h VAL 10 CO 1.03 0.00 1.47 0.18 0.02 0.00 0.00 177.57 180.27 2qam n LEU 11 N -4.73 2.08 -0.06 2.57 7.99 -1.26 -3.12 117.00 120.48 2qam n LEU 11 Ca -0.06 0.28 -0.07 0.00 -0.01 0.00 0.00 56.01 56.14 2qam n LEU 11 Cb 0.20 -1.29 -0.15 0.00 -0.11 0.00 0.00 43.42 42.08 2qam n LEU 11 CO 0.15 -0.82 -0.85 0.54 -1.51 0.00 0.00 177.39 174.90 2qam n ARG 12 N 8.35 0.66 -3.63 3.23 1.74 -0.78 -4.97 116.66 121.27 2qam n ARG 12 Ca 0.42 0.09 -0.05 0.00 -0.77 0.00 0.00 57.85 57.54 2qam n ARG 12 Cb 0.26 -1.63 -0.05 0.00 -1.02 0.00 0.00 32.46 30.02 2qam n ARG 12 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qam s ALA 13 N -2.64 -2.08 -0.00 7.54 0.00 -0.90 -5.01 121.76 118.68 2qam s ALA 13 Ca -0.08 1.78 -0.30 0.00 0.00 0.00 0.00 51.96 53.36 2qam s ALA 13 Cb 0.07 -1.34 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 2qam s ALA 13 CO 0.83 -0.23 0.97 -1.25 0.00 0.00 0.00 175.76 176.08 2qam s PRO 14 N -0.78 4.56 0.01 0.00 0.04 -1.26 0.88 135.00 138.44 2qam s PRO 14 Ca 0.05 1.41 -0.25 0.00 0.04 0.00 0.00 61.00 62.25 2qam s PRO 14 Cb -0.02 -3.46 -0.18 0.00 0.04 0.00 0.00 34.50 30.89 2qam s PRO 14 CO -0.06 -0.04 1.32 1.25 0.04 0.00 0.00 177.00 179.50 2qam h HIS 15 N 6.79 -0.16 -7.01 0.56 2.76 -1.87 -3.45 115.15 112.76 2qam h HIS 15 Ca -0.41 -0.00 -0.50 0.00 -2.20 0.00 0.00 60.37 57.26 2qam h HIS 15 Cb 1.22 0.05 -0.04 0.00 1.55 0.00 0.00 27.41 30.19 2qam h HIS 15 CO 0.68 0.18 -0.83 0.28 -1.30 0.00 0.00 177.93 176.95 2qam n VAL 16 N -5.01 -1.92 -3.99 5.26 0.31 -1.26 -4.92 118.33 106.80 2qam n VAL 16 Ca -0.09 -0.47 -0.24 0.00 -0.01 0.00 0.00 64.34 63.53 2qam n VAL 16 Cb 0.22 -1.65 -0.17 0.00 -0.91 0.00 0.00 33.84 31.33 2qam n VAL 16 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2qam s SER 17 N -3.85 1.71 0.46 4.52 0.01 -1.26 -4.99 113.70 110.30 2qam s SER 17 Ca 0.34 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.40 2qam s SER 17 Cb -0.19 -0.64 0.00 0.00 0.21 0.00 0.00 66.02 65.40 2qam s SER 17 CO 0.80 -0.11 0.00 -0.62 0.41 0.00 0.00 173.24 173.72 2qam n GLU 18 N 4.71 -2.48 -0.01 12.44 -0.58 -1.26 -3.13 120.64 130.32 2qam n GLU 18 Ca -0.14 2.02 0.00 0.00 -0.42 0.00 0.00 57.16 58.62 2qam n GLU 18 Cb 0.50 -2.91 0.00 0.00 -0.57 0.00 0.00 31.44 28.47 2qam n GLU 18 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2qam n LYS 19 N -3.76 0.09 0.06 3.49 5.02 -1.26 -2.33 118.16 119.47 2qam n LYS 19 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 2qam n LYS 19 Cb 0.51 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 2qam n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qam n ALA 20 N 1.22 3.00 -0.20 7.82 0.00 -1.26 -4.14 120.51 126.95 2qam n ALA 20 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2qam n ALA 20 Cb 0.05 0.19 0.07 0.00 0.00 0.00 0.00 19.45 19.75 2qam n ALA 20 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qam h SER 21 N 0.00 0.51 -0.05 0.00 4.64 -1.41 0.42 113.55 117.66 2qam h SER 21 Ca 0.00 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.29 2qam h SER 21 Cb 0.00 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 2qam h SER 21 CO 0.00 0.34 -0.18 0.71 -0.87 0.00 0.00 176.83 176.83 2qam h THR 22 N 0.63 1.45 -0.20 2.95 1.35 -1.77 -3.17 112.91 114.14 2qam h THR 22 Ca 0.25 -1.59 0.06 0.00 -0.55 0.00 0.00 66.41 64.58 2qam h THR 22 Cb 0.11 2.35 -0.07 0.00 -1.73 0.00 0.00 68.15 68.81 2qam h THR 22 CO -0.14 0.44 -0.32 0.00 -0.25 0.00 0.00 175.52 175.25 2qam h ALA 23 N 0.42 -0.32 0.00 6.62 0.00 -1.63 1.83 119.26 126.19 2qam h ALA 23 Ca -0.01 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2qam h ALA 23 Cb 0.81 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 2qam h ALA 23 CO 0.04 -0.78 -0.08 -1.33 0.00 0.00 0.00 179.25 177.10 2qam n MET 24 N -5.41 1.17 0.00 0.00 2.81 0.15 -2.59 117.12 113.24 2qam n MET 24 Ca -0.02 -0.22 0.00 0.00 -1.81 0.00 0.00 57.70 55.65 2qam n MET 24 Cb 0.33 -1.25 0.00 0.00 -0.71 0.00 0.00 33.22 31.59 2qam n MET 24 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2qam n GLU 25 N 1.76 0.00 0.00 0.03 0.00 0.13 -4.29 120.64 118.27 2qam n GLU 25 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 57.16 57.31 2qam n GLU 25 Cb 0.57 -0.04 0.28 0.00 0.00 0.00 0.00 31.44 32.25 2qam n GLU 25 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2qam n LYS 26 N -2.29 0.17 -0.04 5.31 4.76 0.58 -1.54 118.16 125.11 2qam n LYS 26 Ca 0.00 0.17 -0.05 0.00 -2.87 0.00 0.00 58.31 55.56 2qam n LYS 26 Cb 0.00 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 31.65 2qam n LYS 26 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2qam n SER 27 N -1.27 3.32 0.00 4.39 2.88 -1.07 -5.06 113.62 116.81 2qam n SER 27 Ca 0.05 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 2qam n SER 27 Cb 0.09 0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 2qam n SER 27 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2qam n ASN 28 N -2.61 0.00 -1.45 -3.46 6.94 -0.59 -5.10 115.26 109.00 2qam n ASN 28 Ca -0.14 0.00 0.18 0.00 -0.02 0.00 0.00 54.58 54.60 2qam n ASN 28 Cb 0.68 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 38.03 2qam n ASN 28 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2qam n THR 29 N -0.66 -0.14 -3.77 5.53 -2.24 -1.26 -1.81 114.28 109.93 2qam n THR 29 Ca 0.00 0.56 -0.13 0.00 -2.27 0.00 0.00 64.05 62.21 2qam n THR 29 Cb 0.00 -1.05 -0.12 0.00 -2.10 0.00 0.00 70.33 67.07 2qam n THR 29 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2qam s ILE 30 N -3.42 -0.01 0.21 2.28 2.07 -1.26 -3.97 121.20 117.10 2qam s ILE 30 Ca 0.00 0.03 0.07 0.00 -1.41 0.00 0.00 60.65 59.34 2qam s ILE 30 Cb 0.00 -0.36 -0.04 0.00 0.13 0.00 0.00 42.46 42.19 2qam s ILE 30 CO 0.00 0.01 0.12 0.68 -1.91 0.00 0.00 174.94 173.84 2qam s VAL 31 N 0.37 4.23 0.00 4.00 -7.23 -1.26 0.99 120.40 121.50 2qam s VAL 31 Ca -0.02 -1.36 0.00 0.00 -1.81 0.00 0.00 61.98 58.80 2qam s VAL 31 Cb -0.04 -3.22 0.00 0.00 0.56 0.00 0.00 36.38 33.69 2qam s VAL 31 CO -0.02 -0.23 0.00 0.00 -0.31 0.00 0.00 175.10 174.54 2qam n LEU 32 N -0.70 0.00 -4.65 1.32 -0.00 -1.26 -3.27 117.00 108.43 2qam n LEU 32 Ca -0.08 0.00 -0.48 0.00 -0.00 0.00 0.00 56.01 55.45 2qam n LEU 32 Cb 0.56 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.94 2qam n LEU 32 CO 0.42 0.00 1.16 1.17 -0.00 0.00 0.00 177.39 180.15 2qam n LYS 33 N -0.01 1.89 -3.54 1.47 4.81 0.26 -1.84 118.16 121.20 2qam n LYS 33 Ca 0.00 0.68 -0.28 0.00 -0.87 0.00 0.00 58.31 57.84 2qam n LYS 33 Cb 0.00 -2.43 -0.12 0.00 0.02 0.00 0.00 35.03 32.50 2qam n LYS 33 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2qam s VAL 34 N 1.26 0.78 0.00 3.15 -7.23 -1.11 -1.86 120.40 115.38 2qam s VAL 34 Ca 0.82 -2.50 0.00 0.00 -1.81 0.00 0.00 61.98 58.50 2qam s VAL 34 Cb -0.76 -1.54 0.00 0.00 0.56 0.00 0.00 36.38 34.64 2qam s VAL 34 CO 0.42 -1.06 0.00 0.00 -0.31 0.00 0.00 175.10 174.16 2qam n ALA 35 N 3.29 0.00 0.00 1.32 0.00 -1.18 -4.51 120.51 119.43 2qam n ALA 35 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2qam n ALA 35 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 2qam n ALA 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2qam n LYS 36 N 14.00 1.20 -0.04 0.00 0.00 -1.26 -3.21 118.16 128.85 2qam n LYS 36 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 58.31 58.31 2qam n LYS 36 Cb 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 35.03 34.89 2qam n LYS 36 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2qam h ASP 37 N 0.00 0.00 0.00 3.14 3.45 -2.00 -3.47 116.42 117.53 2qam h ASP 37 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2qam h ASP 37 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 2qam h ASP 37 CO 0.00 0.38 0.00 0.00 -1.57 0.00 0.00 179.24 178.05 2qam n ALA 38 N -2.64 0.00 0.00 3.45 0.00 -1.26 -4.92 120.51 115.14 2qam n ALA 38 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2qam n ALA 38 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.48 2qam n ALA 38 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2qam n THR 39 N 0.00 0.00 0.00 0.00 5.66 -1.26 -4.91 114.28 113.77 2qam n THR 39 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2qam n THR 39 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2qam n THR 39 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2qam n LYS 40 N 0.00 0.00 0.24 1.09 5.02 -1.26 -4.29 118.16 118.96 2qam n LYS 40 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 2qam n LYS 40 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 2qam n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qam h ALA 41 N 0.00 -0.66 0.00 7.82 0.00 -1.95 1.55 119.26 126.02 2qam h ALA 41 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2qam h ALA 41 Cb 0.00 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2qam h ALA 41 CO 0.00 -0.66 0.00 -0.85 0.00 0.00 0.00 179.25 177.74 2qam n GLU 42 N -5.23 0.56 -0.05 0.00 0.28 -1.26 0.93 120.64 115.87 2qam n GLU 42 Ca -0.10 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.85 2qam n GLU 42 Cb 0.30 -1.01 -0.05 0.00 1.43 0.00 0.00 31.44 32.11 2qam n GLU 42 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2qam n ILE 43 N -0.49 0.55 0.13 3.84 5.41 -0.94 -4.06 119.36 123.79 2qam n ILE 43 Ca 0.00 -0.25 -0.07 0.00 1.00 0.00 0.00 62.75 63.43 2qam n ILE 43 Cb 0.00 -0.83 -0.04 0.00 -0.71 0.00 0.00 39.64 38.07 2qam n ILE 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2qam h LYS 44 N 0.00 -0.40 0.00 0.38 3.64 0.51 -2.06 116.57 118.63 2qam h LYS 44 Ca -0.21 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 2qam h LYS 44 Cb 1.38 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.29 2qam h LYS 44 CO -0.02 -0.23 0.20 0.00 -2.27 0.00 0.00 179.45 177.13 2qam h ALA 45 N -1.04 1.19 0.00 5.00 0.00 0.33 0.25 119.26 125.00 2qam h ALA 45 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2qam h ALA 45 Cb 0.36 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.15 2qam h ALA 45 CO 0.07 -0.19 -0.32 0.00 0.00 0.00 0.00 179.25 178.81 2qam h ALA 46 N 1.58 0.03 0.00 0.00 0.00 -1.68 -2.60 119.26 116.60 2qam h ALA 46 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2qam h ALA 46 Cb 0.40 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2qam h ALA 46 CO 0.00 0.13 0.00 0.28 0.00 0.00 0.00 179.25 179.66 2qam n VAL 47 N -4.45 0.00 0.00 0.00 0.31 0.72 -2.54 118.33 112.37 2qam n VAL 47 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 2qam n VAL 47 Cb 0.54 -0.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 2qam n VAL 47 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qam n GLN 48 N -0.99 0.00 -0.09 5.55 1.13 -0.15 -3.23 117.38 119.59 2qam n GLN 48 Ca 0.18 0.27 -0.08 0.00 -1.94 0.00 0.00 57.00 55.43 2qam n GLN 48 Cb 0.08 -0.76 -0.02 0.00 0.11 0.00 0.00 30.24 29.66 2qam n GLN 48 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 2qam h LYS 49 N 0.00 -0.27 -6.79 -1.09 1.79 -1.54 -2.08 116.57 106.59 2qam h LYS 49 Ca 0.00 0.02 -0.49 0.00 -2.18 0.00 0.00 60.65 57.99 2qam h LYS 49 Cb 0.00 0.06 0.02 0.00 -1.58 0.00 0.00 32.23 30.73 2qam h LYS 49 CO 0.00 -0.18 0.04 -0.51 -1.08 0.00 0.00 179.45 177.72 2qam s LEU 50 N -10.55 3.79 0.00 2.94 2.01 -1.05 -3.98 118.68 111.84 2qam s LEU 50 Ca -0.15 0.88 0.00 0.00 0.01 0.00 0.00 54.13 54.87 2qam s LEU 50 Cb 0.13 -3.79 0.00 0.00 0.01 0.00 0.00 46.19 42.54 2qam s LEU 50 CO 0.67 -0.45 0.00 0.49 1.01 0.00 0.00 176.35 178.08 2qam n PHE 51 N -1.79 0.00 -3.55 0.29 0.99 -1.26 -4.39 117.46 107.74 2qam n PHE 51 Ca -0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.45 57.26 2qam n PHE 51 Cb 0.55 0.00 0.01 0.00 -1.00 0.00 0.00 39.48 39.04 2qam n PHE 51 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 2qam n GLU 52 N 0.00 -1.38 -4.35 -1.08 4.71 -0.78 -5.01 120.64 112.76 2qam n GLU 52 Ca 0.00 0.92 -0.18 0.00 -0.01 0.00 0.00 57.16 57.89 2qam n GLU 52 Cb 0.00 -3.67 -0.10 0.00 -1.01 0.00 0.00 31.44 26.66 2qam n GLU 52 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2qam s VAL 53 N -3.08 1.58 0.02 2.62 1.01 -1.20 -5.05 120.40 116.29 2qam s VAL 53 Ca 0.09 -2.16 -0.08 0.00 0.00 0.00 0.00 61.98 59.84 2qam s VAL 53 Cb -0.03 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 2qam s VAL 53 CO 0.85 -0.53 1.12 -0.33 0.00 0.00 0.00 175.10 176.21 2qam h GLU 54 N 2.52 -0.18 -4.30 2.72 4.39 -1.90 -3.43 114.58 114.41 2qam h GLU 54 Ca -0.38 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.33 2qam h GLU 54 Cb 1.22 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.89 2qam h GLU 54 CO 0.64 -0.12 -0.69 0.28 -1.16 0.00 0.00 179.01 177.96 2qam n VAL 55 N -3.03 -8.42 0.06 3.13 0.31 -1.26 -4.82 118.33 104.31 2qam n VAL 55 Ca -0.02 1.26 -0.03 0.00 -0.01 0.00 0.00 64.34 65.55 2qam n VAL 55 Cb 0.09 -5.74 -0.01 0.00 -0.91 0.00 0.00 33.84 27.27 2qam n VAL 55 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2qam h GLU 56 N 2.01 -0.18 0.00 5.55 4.81 -1.41 -3.45 114.58 121.92 2qam h GLU 56 Ca -0.07 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2qam h GLU 56 Cb 0.16 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2qam h GLU 56 CO 0.05 -0.12 0.00 1.55 -0.73 0.00 0.00 179.01 179.76 2qam n VAL 57 N -3.04 0.00 0.00 0.32 3.14 -1.25 -5.05 118.33 112.46 2qam n VAL 57 Ca -0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 2qam n VAL 57 Cb 0.07 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.85 2qam n VAL 57 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 2qam n VAL 58 N 0.00 0.00 -3.80 1.55 3.14 -1.23 -4.43 118.33 113.56 2qam n VAL 58 Ca 0.00 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.01 2qam n VAL 58 Cb 0.00 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 32.65 2qam n VAL 58 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 2qam s ASN 59 N 0.00 4.94 0.40 6.55 0.01 -0.38 -4.94 114.94 121.52 2qam s ASN 59 Ca 0.00 -0.60 0.08 0.00 -0.71 0.00 0.00 52.86 51.63 2qam s ASN 59 Cb 0.00 -1.85 -0.01 0.00 0.41 0.00 0.00 41.25 39.80 2qam s ASN 59 CO 0.00 -0.14 0.45 0.42 -1.51 0.00 0.00 177.10 176.32 2qam s THR 60 N 1.50 3.02 -0.29 1.60 -4.23 -1.25 -4.04 115.64 111.95 2qam s THR 60 Ca 0.03 -1.19 -0.21 0.00 -1.18 0.00 0.00 61.69 59.14 2qam s THR 60 Cb -0.16 -3.06 0.15 0.00 1.34 0.00 0.00 72.50 70.76 2qam s THR 60 CO 0.01 -0.04 1.09 -1.48 -0.54 0.00 0.00 174.62 173.67 2qam s LEU 61 N -4.20 -0.38 0.78 4.79 0.05 -1.24 -4.93 118.68 113.54 2qam s LEU 61 Ca 0.49 0.68 -0.12 0.00 0.05 0.00 0.00 54.13 55.24 2qam s LEU 61 Cb -0.07 1.66 0.06 0.00 -2.05 0.00 0.00 46.19 45.80 2qam s LEU 61 CO 0.30 -0.11 1.12 -0.69 -0.55 0.00 0.00 176.35 176.41 2qam s VAL 62 N 0.61 2.90 -0.22 1.48 1.01 -1.26 -0.58 120.40 124.34 2qam s VAL 62 Ca -0.01 0.29 -0.02 0.00 0.00 0.00 0.00 61.98 62.24 2qam s VAL 62 Cb -0.04 -3.18 0.07 0.00 0.00 0.00 0.00 36.38 33.22 2qam s VAL 62 CO -0.11 -0.38 0.04 -0.69 0.00 0.00 0.00 175.10 173.96 2qam s VAL 63 N -3.33 0.70 0.35 2.92 1.01 0.17 -4.88 120.40 117.33 2qam s VAL 63 Ca 0.60 -0.81 0.24 0.00 0.00 0.00 0.00 61.98 62.02 2qam s VAL 63 Cb -0.12 -1.25 0.38 0.00 0.00 0.00 0.00 36.38 35.39 2qam s VAL 63 CO 0.52 -0.30 1.29 0.29 0.00 0.00 0.00 175.10 176.90 2qam n LYS 64 N 4.97 -0.04 0.00 2.72 4.01 -1.26 -2.93 118.16 125.63 2qam n LYS 64 Ca -0.08 1.06 0.00 0.00 -0.51 0.00 0.00 58.31 58.78 2qam n LYS 64 Cb 0.46 -2.03 0.00 0.00 -0.51 0.00 0.00 35.03 32.94 2qam n LYS 64 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2qam n GLY 65 N -1.37 -1.61 3.66 0.72 0.00 -1.26 -4.40 105.19 100.93 2qam n GLY 65 Ca 0.33 -1.55 -0.24 0.00 0.00 0.00 0.00 46.02 44.55 2qam n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qam s LYS 66 N -2.13 2.14 -0.03 1.61 1.02 -1.26 -4.92 119.74 116.17 2qam s LYS 66 Ca 0.00 -1.73 0.01 0.00 0.02 0.00 0.00 55.97 54.27 2qam s LYS 66 Cb 0.00 -1.97 0.02 0.00 -0.52 0.00 0.00 37.83 35.36 2qam s LYS 66 CO 0.00 0.11 -0.01 0.54 -0.92 0.00 0.00 175.35 175.07 2qam s VAL 67 N -2.51 0.24 0.00 3.17 0.11 -1.26 0.55 120.40 120.70 2qam s VAL 67 Ca 0.36 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.42 2qam s VAL 67 Cb 0.00 -0.30 0.00 0.00 -1.53 0.00 0.00 36.38 34.55 2qam s VAL 67 CO 0.20 0.14 0.00 0.29 -3.33 0.00 0.00 175.10 172.40 2qam n LYS 68 N 3.92 0.06 0.00 1.54 4.01 0.56 -4.95 118.16 123.29 2qam n LYS 68 Ca -0.25 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.55 2qam n LYS 68 Cb 0.52 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.04 2qam n LYS 68 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 2qam n ARG 69 N 0.00 0.00 -2.45 1.97 3.00 -1.26 -1.18 116.66 116.74 2qam n ARG 69 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.85 57.58 2qam n ARG 69 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 32.46 32.48 2qam n ARG 69 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 2qam s HIS 70 N -1.58 3.39 0.00 -0.14 -3.43 -1.26 -4.81 115.29 107.46 2qam s HIS 70 Ca 0.00 0.75 0.00 0.00 -0.80 0.00 0.00 55.06 55.01 2qam s HIS 70 Cb 0.00 -2.58 0.00 0.00 -1.43 0.00 0.00 32.58 28.57 2qam s HIS 70 CO 0.00 -0.62 0.00 0.41 -2.00 0.00 0.00 174.74 172.53 2qam n GLY 71 N -2.48 2.71 0.64 -1.38 0.00 -1.26 -2.63 105.19 100.80 2qam n GLY 71 Ca 0.03 -0.28 0.07 0.00 0.00 0.00 0.00 46.02 45.84 2qam n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qam n GLN 72 N 14.00 1.82 -4.22 1.61 10.64 -1.26 -4.87 117.38 135.10 2qam n GLN 72 Ca 0.00 -1.26 -0.28 0.00 -1.83 0.00 0.00 57.00 53.63 2qam n GLN 72 Cb 0.00 -1.32 -0.09 0.00 -0.86 0.00 0.00 30.24 27.97 2qam n GLN 72 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 2qam s ARG 73 N -1.60 2.27 0.21 2.61 1.81 -1.08 -5.14 118.95 118.04 2qam s ARG 73 Ca 0.27 -1.08 0.09 0.00 -1.72 0.00 0.00 55.73 53.29 2qam s ARG 73 Cb 0.14 -2.33 -0.05 0.00 -0.45 0.00 0.00 34.95 32.27 2qam s ARG 73 CO 0.20 0.48 -0.16 -1.50 -0.68 0.00 0.00 175.30 173.63 2qam s ILE 74 N -1.51 1.92 -0.12 1.52 1.10 -1.26 -3.99 121.20 118.85 2qam s ILE 74 Ca 0.25 -2.20 -0.05 0.00 -0.51 0.00 0.00 60.65 58.14 2qam s ILE 74 Cb -0.10 -2.07 0.06 0.00 0.15 0.00 0.00 42.46 40.50 2qam s ILE 74 CO 0.16 -0.50 0.25 -0.83 -2.11 0.00 0.00 174.94 171.92 2qam s GLY 75 N -3.24 -0.11 0.16 1.50 0.00 -0.33 -4.92 107.32 100.38 2qam s GLY 75 Ca 0.23 0.92 0.04 0.00 0.00 0.00 0.00 44.72 45.91 2qam s GLY 75 CO 0.09 1.84 0.20 0.50 0.00 0.00 0.00 173.10 175.72 2qam s ARG 76 N 2.22 3.12 0.00 2.90 0.52 -1.26 -0.32 118.95 126.13 2qam s ARG 76 Ca -0.00 -0.77 0.00 0.00 -0.52 0.00 0.00 55.73 54.44 2qam s ARG 76 Cb -0.12 -2.77 0.00 0.00 0.52 0.00 0.00 34.95 32.58 2qam s ARG 76 CO -0.08 0.50 0.00 0.54 0.02 0.00 0.00 175.30 176.27 2qam n ARG 77 N -0.45 2.62 -4.81 3.54 1.74 0.19 -4.97 116.66 114.53 2qam n ARG 77 Ca -0.08 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.73 2qam n ARG 77 Cb 0.54 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.84 2qam n ARG 77 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2qam s SER 78 N -1.00 2.57 0.46 0.55 0.01 -1.26 -4.85 113.70 110.18 2qam s SER 78 Ca 0.00 -0.49 -0.18 0.00 1.31 0.00 0.00 55.95 56.59 2qam s SER 78 Cb 0.00 -0.24 -0.09 0.00 0.21 0.00 0.00 66.02 65.90 2qam s SER 78 CO 0.00 0.21 0.95 -1.81 0.41 0.00 0.00 173.24 173.00 2qam s ASP 79 N -0.97 6.78 0.20 2.44 1.01 -1.26 -4.50 116.67 120.37 2qam s ASP 79 Ca 0.08 1.60 -0.11 0.00 0.71 0.00 0.00 52.55 54.83 2qam s ASP 79 Cb -0.09 -2.51 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 2qam s ASP 79 CO 0.01 -0.46 0.37 -1.66 0.21 0.00 0.00 175.17 173.65 2qam s TRP 80 N -2.38 0.40 0.12 4.23 1.48 -1.15 -4.92 118.94 116.72 2qam s TRP 80 Ca 0.60 -0.75 0.02 0.00 -1.06 0.00 0.00 56.10 54.91 2qam s TRP 80 Cb -0.09 0.04 -0.04 0.00 -1.16 0.00 0.00 33.47 32.22 2qam s TRP 80 CO 0.22 -0.85 0.23 0.21 -4.06 0.00 0.00 176.95 172.70 2qam s LYS 81 N -4.00 3.32 0.15 3.25 2.47 -1.20 0.42 119.74 124.16 2qam s LYS 81 Ca 0.21 -0.60 0.06 0.00 -1.56 0.00 0.00 55.97 54.07 2qam s LYS 81 Cb 0.02 -2.92 -0.04 0.00 -1.46 0.00 0.00 37.83 33.42 2qam s LYS 81 CO 0.05 0.54 0.06 0.15 0.16 0.00 0.00 175.35 176.31 2qam s LYS 82 N -2.96 2.65 0.00 4.03 -0.14 0.26 -2.75 119.74 120.83 2qam s LYS 82 Ca 0.34 -0.94 0.00 0.00 -1.36 0.00 0.00 55.97 54.01 2qam s LYS 82 Cb -0.11 -2.53 0.00 0.00 -1.68 0.00 0.00 37.83 33.51 2qam s LYS 82 CO 0.27 0.49 0.00 0.00 -0.76 0.00 0.00 175.35 175.35 2qam n ALA 83 N -0.06 0.00 -2.71 5.17 0.00 -0.77 -3.66 120.51 118.49 2qam n ALA 83 Ca -0.09 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.35 2qam n ALA 83 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 2qam n ALA 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qam n TYR 84 N -0.26 -2.33 -0.05 0.00 4.02 -0.94 -3.75 117.16 113.86 2qam n TYR 84 Ca 0.00 0.89 -0.14 0.00 -0.01 0.00 0.00 57.90 58.64 2qam n TYR 84 Cb 0.00 -3.54 -0.12 0.00 -0.02 0.00 0.00 39.34 35.66 2qam n TYR 84 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2qam h VAL 85 N 0.37 1.66 -3.35 -0.72 2.07 0.34 -1.00 116.25 115.63 2qam h VAL 85 Ca 0.00 -2.03 0.00 0.00 0.82 0.00 0.00 66.70 65.49 2qam h VAL 85 Cb 1.00 3.03 0.00 0.00 -1.52 0.00 0.00 31.29 33.79 2qam h VAL 85 CO 0.23 0.53 -0.63 0.35 0.02 0.00 0.00 177.57 178.08 2qam n THR 86 N -4.63 -9.60 -5.08 2.57 -2.24 -1.26 -3.53 114.28 90.50 2qam n THR 86 Ca -0.10 2.21 -0.32 0.00 -2.27 0.00 0.00 64.05 63.57 2qam n THR 86 Cb 0.45 -4.53 -0.16 0.00 -2.10 0.00 0.00 70.33 63.99 2qam n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2qam s LEU 87 N -0.35 2.30 0.00 3.22 1.43 -1.26 -1.29 118.68 122.73 2qam s LEU 87 Ca 0.00 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 2qam s LEU 87 Cb 0.00 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.75 2qam s LEU 87 CO 0.00 0.19 0.00 0.29 0.23 0.00 0.00 176.35 177.06 2qam n LYS 88 N 3.35 0.00 0.00 1.70 4.76 -1.26 -4.61 118.16 122.10 2qam n LYS 88 Ca -0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 2qam n LYS 88 Cb 0.53 -0.33 0.00 0.00 -1.84 0.00 0.00 35.03 33.39 2qam n LYS 88 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2qam n GLU 89 N 0.00 1.71 0.00 1.97 -0.58 -1.26 -4.59 120.64 117.89 2qam n GLU 89 Ca 0.00 -0.30 0.04 0.00 -0.42 0.00 0.00 57.16 56.48 2qam n GLU 89 Cb 0.00 -0.78 0.23 0.00 -0.57 0.00 0.00 31.44 30.32 2qam n GLU 89 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qam n GLY 90 N 0.33 -0.52 3.56 0.62 0.00 -1.26 -4.62 105.19 103.29 2qam n GLY 90 Ca 0.00 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 2qam n GLY 90 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qam s GLN 91 N -2.00 2.46 0.00 1.61 -0.21 -1.26 -4.49 119.66 115.76 2qam s GLN 91 Ca 0.12 0.23 0.00 0.00 0.02 0.00 0.00 55.36 55.73 2qam s GLN 91 Cb 0.05 -4.76 0.00 0.00 1.00 0.00 0.00 33.01 29.30 2qam s GLN 91 CO 0.09 -3.24 0.00 0.09 -2.12 0.00 0.00 175.29 170.11 2qam n ASN 92 N 14.12 2.19 0.00 5.90 5.03 -1.26 -5.16 115.26 136.09 2qam n ASN 92 Ca 0.33 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.78 2qam n ASN 92 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.25 2qam n ASN 92 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61