#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cru s SER 2 N 0.00 5.15 -0.23 1.61 1.04 -1.26 -5.07 113.70 114.94 2cru s SER 2 Ca 0.00 -0.48 -0.17 0.00 0.48 0.00 0.00 55.95 55.78 2cru s SER 2 Cb 0.00 -1.06 -0.14 0.00 0.10 0.00 0.00 66.02 64.92 2cru s SER 2 CO 0.00 -0.17 -0.08 -0.24 0.98 0.00 0.00 173.24 173.73 2cru n SER 3 N -1.19 1.90 -2.79 7.02 2.88 -1.26 -5.08 113.62 115.10 2cru n SER 3 Ca -0.05 0.40 -0.03 0.00 -1.33 0.00 0.00 58.87 57.86 2cru n SER 3 Cb 0.59 -0.89 -0.03 0.00 -0.75 0.00 0.00 64.21 63.14 2cru n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cru n GLY 4 N 1.38 -3.34 3.34 0.46 0.00 -1.26 -5.06 105.19 100.71 2cru n GLY 4 Ca -0.37 1.02 -0.10 0.00 0.00 0.00 0.00 46.02 46.57 2cru n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cru s SER 5 N -0.65 -0.09 -0.38 1.61 0.01 -1.26 -5.13 113.70 107.81 2cru s SER 5 Ca -0.15 -0.57 -0.04 0.00 1.31 0.00 0.00 55.95 56.49 2cru s SER 5 Cb 0.01 0.46 0.08 0.00 0.21 0.00 0.00 66.02 66.78 2cru s SER 5 CO 0.52 -0.88 0.16 -0.55 0.41 0.00 0.00 173.24 172.90 2cru s SER 6 N -2.88 5.25 0.00 2.44 0.15 -1.26 -5.01 113.70 112.40 2cru s SER 6 Ca 0.08 -1.64 0.00 0.00 0.70 0.00 0.00 55.95 55.09 2cru s SER 6 Cb 0.02 -1.84 0.00 0.00 -1.71 0.00 0.00 66.02 62.50 2cru s SER 6 CO -0.07 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 174.53 2cru n GLY 7 N 4.69 -3.38 3.55 9.45 0.00 -1.26 -3.78 105.19 114.46 2cru n GLY 7 Ca -0.08 -1.87 -0.36 0.00 0.00 0.00 0.00 46.02 43.71 2cru n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cru s LEU 8 N 0.00 3.26 -1.46 0.99 2.01 -1.26 -3.44 118.68 118.78 2cru s LEU 8 Ca 0.00 0.02 -0.10 0.00 0.01 0.00 0.00 54.13 54.06 2cru s LEU 8 Cb 0.00 -2.54 0.06 0.00 0.01 0.00 0.00 46.19 43.72 2cru s LEU 8 CO 0.00 -2.39 0.98 0.54 1.01 0.00 0.00 176.35 176.49 2cru n ARG 9 N 9.13 -5.91 -4.12 1.70 1.74 -1.26 -1.48 116.66 116.46 2cru n ARG 9 Ca 0.23 0.65 -0.32 0.00 -0.77 0.00 0.00 57.85 57.64 2cru n ARG 9 Cb 0.51 -5.52 -0.02 0.00 -1.02 0.00 0.00 32.46 26.40 2cru n ARG 9 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2cru n ARG 10 N -4.67 -3.33 -2.96 5.56 5.12 -1.22 -4.86 116.66 110.30 2cru n ARG 10 Ca -0.03 0.39 -0.44 0.00 -1.93 0.00 0.00 57.85 55.84 2cru n ARG 10 Cb 0.56 -4.92 -0.02 0.00 -1.16 0.00 0.00 32.46 26.93 2cru n ARG 10 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2cru s GLN 11 N -6.81 3.77 -0.19 5.56 0.74 -0.55 -5.00 119.66 117.18 2cru s GLN 11 Ca 0.49 -2.08 -0.09 0.00 0.05 0.00 0.00 55.36 53.73 2cru s GLN 11 Cb -0.27 -4.94 -0.05 0.00 1.10 0.00 0.00 33.01 28.86 2cru s GLN 11 CO 0.91 -1.74 0.12 1.03 -0.55 0.00 0.00 175.29 175.06 2cru s ARG 12 N 2.16 4.10 -0.02 1.67 0.52 -1.26 -4.80 118.95 121.32 2cru s ARG 12 Ca 0.35 -0.24 -0.01 0.00 -0.52 0.00 0.00 55.73 55.32 2cru s ARG 12 Cb -0.04 -3.37 0.02 0.00 0.52 0.00 0.00 34.95 32.08 2cru s ARG 12 CO -0.06 0.33 0.04 -0.51 0.02 0.00 0.00 175.30 175.12 2cru s LEU 13 N 0.27 1.29 -0.30 2.53 1.43 -1.26 -5.13 118.68 117.51 2cru s LEU 13 Ca 0.08 0.07 -0.16 0.00 -1.03 0.00 0.00 54.13 53.09 2cru s LEU 13 Cb -0.11 0.03 0.16 0.00 0.03 0.00 0.00 46.19 46.30 2cru s LEU 13 CO -0.01 -0.09 1.02 0.00 0.23 0.00 0.00 176.35 177.49 2cru s ALA 14 N 0.75 -2.63 -0.15 4.21 0.00 -1.26 -5.16 121.76 117.53 2cru s ALA 14 Ca -0.06 2.07 -0.08 0.00 0.00 0.00 0.00 51.96 53.89 2cru s ALA 14 Cb -0.09 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 2cru s ALA 14 CO -0.02 -0.76 0.13 -2.00 0.00 0.00 0.00 175.76 173.11 2cru s GLU 15 N 2.05 3.68 -0.18 0.00 2.12 -1.26 -5.09 118.70 120.02 2cru s GLU 15 Ca -0.04 -0.18 0.01 0.00 0.36 0.00 0.00 54.97 55.12 2cru s GLU 15 Cb -0.05 -3.25 0.02 0.00 0.26 0.00 0.00 34.13 31.11 2cru s GLU 15 CO -0.16 0.60 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.46 2cru s LEU 16 N -0.52 2.14 -0.03 2.70 1.02 -1.26 -5.11 118.68 117.62 2cru s LEU 16 Ca 0.12 -0.66 0.02 0.00 0.02 0.00 0.00 54.13 53.63 2cru s LEU 16 Cb -0.12 -1.46 0.01 0.00 0.02 0.00 0.00 46.19 44.64 2cru s LEU 16 CO 0.02 -0.01 -0.07 -1.10 0.02 0.00 0.00 176.35 175.21 2cru s GLN 17 N 1.30 0.80 -0.30 1.70 -0.21 -1.26 -5.12 119.66 116.57 2cru s GLN 17 Ca 0.05 -0.22 -0.13 0.00 0.02 0.00 0.00 55.36 55.08 2cru s GLN 17 Cb -0.13 -0.77 0.17 0.00 1.00 0.00 0.00 33.01 33.28 2cru s GLN 17 CO -0.13 0.06 0.95 0.00 -2.12 0.00 0.00 175.29 174.06 2cru s ALA 18 N 0.33 -2.87 -0.29 6.09 0.00 -1.26 -5.14 121.76 118.62 2cru s ALA 18 Ca -0.05 1.84 -0.02 0.00 0.00 0.00 0.00 51.96 53.74 2cru s ALA 18 Cb -0.09 -2.20 0.05 0.00 0.00 0.00 0.00 23.12 20.88 2cru s ALA 18 CO 0.00 -1.16 -0.01 0.15 0.00 0.00 0.00 175.76 174.75 2cru s LYS 19 N 2.66 2.50 -0.29 0.00 -0.14 -1.26 -4.77 119.74 118.45 2cru s LYS 19 Ca 0.01 -1.21 -0.21 0.00 -1.36 0.00 0.00 55.97 53.20 2cru s LYS 19 Cb -0.09 -3.15 0.16 0.00 -1.68 0.00 0.00 37.83 33.07 2cru s LYS 19 CO -0.16 -0.58 1.15 -1.58 -0.76 0.00 0.00 175.35 173.41 2cru s HIS 20 N 1.27 -0.34 0.20 3.18 2.46 -1.26 -5.12 115.29 115.68 2cru s HIS 20 Ca -0.04 0.75 0.00 0.00 0.47 0.00 0.00 55.06 56.24 2cru s HIS 20 Cb -0.19 0.33 0.00 0.00 -0.13 0.00 0.00 32.58 32.59 2cru s HIS 20 CO -0.01 -0.17 0.00 0.41 -2.47 0.00 0.00 174.74 172.50 2cru n GLY 21 N 2.68 -1.13 3.21 1.59 0.00 -1.26 -4.43 105.19 105.85 2cru n GLY 21 Ca -0.15 -0.62 -0.22 0.00 0.00 0.00 0.00 46.02 45.03 2cru n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cru s ASP 22 N -4.61 2.08 0.07 1.61 1.01 -1.26 -4.98 116.67 110.59 2cru s ASP 22 Ca 0.00 -0.54 -0.17 0.00 0.71 0.00 0.00 52.55 52.55 2cru s ASP 22 Cb 0.00 -0.13 -0.11 0.00 1.01 0.00 0.00 42.92 43.68 2cru s ASP 22 CO 0.00 0.06 1.39 1.55 0.21 0.00 0.00 175.17 178.38 2cru h PRO 23 N 4.67 0.55 0.00 8.23 0.13 -1.90 -3.47 132.00 140.20 2cru h PRO 23 Ca -0.41 -0.29 0.23 0.00 -0.87 0.00 0.00 66.00 64.66 2cru h PRO 23 Cb 1.18 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 2cru h PRO 23 CO 0.43 0.88 -0.31 0.41 -0.23 0.00 0.00 178.00 179.17 2cru n GLY 24 N 0.18 -1.18 0.33 1.56 0.00 -1.26 -2.31 105.19 102.51 2cru n GLY 24 Ca -0.05 -0.76 0.11 0.00 0.00 0.00 0.00 46.02 45.33 2cru n GLY 24 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2cru h ASP 25 N -0.79 -0.50 -0.78 1.61 3.32 -1.96 0.27 116.42 117.59 2cru h ASP 25 Ca 0.02 0.26 0.09 0.00 0.02 0.00 0.00 57.03 57.42 2cru h ASP 25 Cb 0.78 0.46 -0.11 0.00 0.22 0.00 0.00 39.33 40.69 2cru h ASP 25 CO 0.01 -0.30 -0.39 0.00 -1.72 0.00 0.00 179.24 176.84 2cru n ALA 26 N -3.15 -0.31 -0.05 3.45 0.00 -1.23 -1.37 120.51 117.84 2cru n ALA 26 Ca 0.20 0.71 -0.20 0.00 0.00 0.00 0.00 53.44 54.15 2cru n ALA 26 Cb 0.65 -0.22 -0.13 0.00 0.00 0.00 0.00 19.45 19.75 2cru n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cru h ALA 27 N 0.70 0.19 -0.18 0.00 0.00 -0.64 -3.40 119.26 115.93 2cru h ALA 27 Ca 0.19 -1.04 0.02 0.00 0.00 0.00 0.00 54.91 54.08 2cru h ALA 27 Cb 0.39 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2cru h ALA 27 CO -0.75 0.64 -0.10 0.94 0.00 0.00 0.00 179.25 179.98 2cru n GLN 28 N -4.24 -0.08 -0.26 0.00 7.27 0.77 0.15 117.38 120.98 2cru n GLN 28 Ca -0.25 0.85 0.26 0.00 0.07 0.00 0.00 57.00 57.93 2cru n GLN 28 Cb 0.74 -1.27 0.46 0.00 2.41 0.00 0.00 30.24 32.57 2cru n GLN 28 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2cru n GLN 29 N -3.27 -0.04 -0.06 3.69 1.13 -0.47 0.08 117.38 118.43 2cru n GLN 29 Ca 0.00 1.04 -0.07 0.00 -1.94 0.00 0.00 57.00 56.03 2cru n GLN 29 Cb 0.05 -1.89 -0.06 0.00 0.11 0.00 0.00 30.24 28.45 2cru n GLN 29 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 2cru h GLU 30 N 0.00 0.00 -0.33 -1.09 4.57 0.12 -3.35 114.58 114.50 2cru h GLU 30 Ca 0.65 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.88 2cru h GLU 30 Cb 1.80 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 30.31 2cru h GLU 30 CO -0.55 0.45 -0.52 0.00 -1.18 0.00 0.00 179.01 177.22 2cru h ALA 31 N -0.55 -0.73 -1.74 2.92 0.00 0.28 0.23 119.26 119.67 2cru h ALA 31 Ca -0.01 -0.00 0.54 0.00 0.00 0.00 0.00 54.91 55.44 2cru h ALA 31 Cb 0.47 1.04 -0.10 0.00 0.00 0.00 0.00 17.79 19.19 2cru h ALA 31 CO -0.00 -1.02 1.21 0.36 0.00 0.00 0.00 179.25 179.79 2cru n LYS 32 N -5.40 -0.01 0.03 0.00 2.85 0.36 0.10 118.16 116.09 2cru n LYS 32 Ca -0.04 1.15 -0.13 0.00 -1.05 0.00 0.00 58.31 58.25 2cru n LYS 32 Cb 0.36 -2.49 -0.08 0.00 -0.65 0.00 0.00 35.03 32.16 2cru n LYS 32 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 2cru h HIS 33 N 0.00 -0.04 0.00 5.58 2.76 -0.68 -2.46 115.15 120.32 2cru h HIS 33 Ca 0.92 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 59.09 2cru h HIS 33 Cb 3.40 0.01 0.00 0.00 1.55 0.00 0.00 27.41 32.37 2cru h HIS 33 CO -0.00 0.21 0.00 0.54 -1.30 0.00 0.00 177.93 177.38 2cru n ARG 34 N -4.99 0.19 0.10 5.26 5.12 0.29 -1.61 116.66 121.01 2cru n ARG 34 Ca -0.08 0.48 0.12 0.00 -1.93 0.00 0.00 57.85 56.44 2cru n ARG 34 Cb 0.15 -1.90 0.18 0.00 -1.16 0.00 0.00 32.46 29.74 2cru n ARG 34 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 2cru h GLU 35 N 0.00 0.00 0.02 5.56 4.81 -0.88 -2.76 114.58 121.34 2cru h GLU 35 Ca 0.00 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.92 2cru h GLU 35 Cb 0.28 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 2cru h GLU 35 CO 0.00 0.00 -1.78 0.00 -0.73 0.00 0.00 179.01 176.50 2cru n ALA 36 N -1.93 1.38 0.04 2.92 0.00 -0.63 -3.00 120.51 119.29 2cru n ALA 36 Ca 0.03 -0.74 -0.20 0.00 0.00 0.00 0.00 53.44 52.52 2cru n ALA 36 Cb 0.47 -0.81 -0.14 0.00 0.00 0.00 0.00 19.45 18.97 2cru n ALA 36 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2cru h GLU 37 N 0.01 0.28 -0.01 0.00 4.11 -1.62 -3.09 114.58 114.26 2cru h GLU 37 Ca -0.32 -0.48 -0.00 0.00 0.07 0.00 0.00 59.36 58.63 2cru h GLU 37 Cb 2.02 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 31.45 2cru h GLU 37 CO 0.08 1.23 -0.00 0.00 0.07 0.00 0.00 179.01 180.39 2cru h MET 38 N -0.36 0.03 -0.80 1.06 -0.00 -1.68 -3.04 114.93 110.14 2cru h MET 38 Ca -0.19 -0.01 0.10 0.00 -0.00 0.00 0.00 59.70 59.59 2cru h MET 38 Cb 1.67 -0.00 -0.07 0.00 -0.00 0.00 0.00 31.60 33.20 2cru h MET 38 CO 0.12 0.39 0.44 0.07 -0.00 0.00 0.00 176.91 177.93 2cru h ARG 39 N -0.34 0.71 0.21 -0.10 0.11 -1.70 -0.31 114.38 112.97 2cru h ARG 39 Ca 0.00 -0.04 0.01 0.00 0.10 0.00 0.00 59.98 60.05 2cru h ARG 39 Cb 0.38 -0.16 -0.04 0.00 1.11 0.00 0.00 29.97 31.26 2cru h ARG 39 CO 0.00 0.47 -0.46 -0.91 0.10 0.00 0.00 179.97 179.17 2cru h ASN 40 N 0.73 -1.33 0.40 0.08 4.21 -1.49 0.55 115.58 118.73 2cru h ASN 40 Ca 0.39 0.14 -0.02 0.00 1.21 0.00 0.00 56.30 58.02 2cru h ASN 40 Cb 0.38 0.48 0.00 0.00 -1.12 0.00 0.00 38.32 38.07 2cru h ASN 40 CO -0.26 -0.54 -0.19 0.28 -1.29 0.00 0.00 177.43 175.43 2cru h SER 41 N -0.76 -0.45 -1.42 5.81 0.02 -1.36 -2.58 113.55 112.82 2cru h SER 41 Ca -0.00 0.02 0.48 0.00 -0.84 0.00 0.00 61.79 61.45 2cru h SER 41 Cb 0.74 0.12 -0.14 0.00 0.14 0.00 0.00 62.40 63.26 2cru h SER 41 CO -0.21 -0.30 0.92 0.40 -1.14 0.00 0.00 176.83 176.50 2cru h ILE 42 N -0.57 0.01 -0.52 3.27 2.04 -1.08 1.56 117.51 122.21 2cru h ILE 42 Ca -0.05 -0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.70 2cru h ILE 42 Cb 0.41 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 2cru h ILE 42 CO 0.09 0.00 -0.06 -0.07 0.00 0.00 0.00 178.15 178.11 2cru h LEU 43 N 0.01 0.95 -0.75 1.44 3.38 -0.66 0.36 115.31 120.04 2cru h LEU 43 Ca 0.89 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 58.45 2cru h LEU 43 Cb 2.89 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 43.37 2cru h LEU 43 CO -0.45 1.06 -0.32 0.00 0.09 0.00 0.00 178.44 178.82 2cru h ALA 44 N 0.92 0.92 0.00 1.53 0.00 0.25 0.56 119.26 123.46 2cru h ALA 44 Ca 0.14 -0.29 -0.24 0.00 0.00 0.00 0.00 54.91 54.52 2cru h ALA 44 Cb 0.61 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 2cru h ALA 44 CO 0.04 0.40 -1.25 1.96 0.00 0.00 0.00 179.25 180.40 2cru h GLN 45 N 0.00 0.00 0.00 0.00 4.20 -0.76 -3.32 115.11 115.23 2cru h GLN 45 Ca -0.00 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.63 2cru h GLN 45 Cb 0.95 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 2cru h GLN 45 CO 0.04 0.83 -1.22 1.33 -0.67 0.00 0.00 178.83 179.14 2cru n VAL 46 N -3.25 0.83 -4.09 -0.54 0.24 0.09 -4.62 118.33 107.00 2cru n VAL 46 Ca -0.06 -0.61 -0.26 0.00 -2.04 0.00 0.00 64.34 61.37 2cru n VAL 46 Cb 0.98 -0.49 -0.06 0.00 -1.47 0.00 0.00 33.84 32.81 2cru n VAL 46 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2cru s LEU 47 N -5.49 3.78 0.12 1.34 1.43 0.18 -1.12 118.68 118.91 2cru s LEU 47 Ca -0.02 -0.15 0.05 0.00 -1.03 0.00 0.00 54.13 52.98 2cru s LEU 47 Cb 0.09 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 2cru s LEU 47 CO 0.80 0.06 0.06 -0.62 0.23 0.00 0.00 176.35 176.88 2cru s ASP 48 N -3.13 5.24 0.25 2.29 2.15 -0.88 -4.72 116.67 117.88 2cru s ASP 48 Ca 0.31 -0.16 0.08 0.00 0.43 0.00 0.00 52.55 53.21 2cru s ASP 48 Cb -0.10 -1.30 0.78 0.00 -0.30 0.00 0.00 42.92 42.00 2cru s ASP 48 CO 0.23 0.13 1.16 1.67 -0.17 0.00 0.00 175.17 178.19 2cru n GLN 49 N 0.18 -0.05 0.48 4.34 7.27 -1.26 0.26 117.38 128.59 2cru n GLN 49 Ca -0.09 1.06 -0.19 0.00 0.07 0.00 0.00 57.00 57.85 2cru n GLN 49 Cb 0.53 -1.79 -0.09 0.00 2.41 0.00 0.00 30.24 31.30 2cru n GLN 49 CO 0.00 0.00 0.00 0.77 0.07 0.00 0.00 177.06 177.90 2cru h SER 50 N 0.00 -1.05 -0.75 1.69 0.02 -1.94 -2.99 113.55 108.52 2cru h SER 50 Ca 0.54 0.04 0.08 0.00 -0.84 0.00 0.00 61.79 61.60 2cru h SER 50 Cb 1.29 0.28 -0.06 0.00 0.14 0.00 0.00 62.40 64.04 2cru h SER 50 CO -0.63 -0.74 0.43 0.00 -1.14 0.00 0.00 176.83 174.74 2cru h ALA 51 N -1.41 1.04 -0.90 3.77 0.00 -0.42 -2.09 119.26 119.26 2cru h ALA 51 Ca -0.12 0.02 0.24 0.00 0.00 0.00 0.00 54.91 55.05 2cru h ALA 51 Cb 0.94 -0.13 -0.16 0.00 0.00 0.00 0.00 17.79 18.44 2cru h ALA 51 CO 0.19 0.09 0.13 0.00 0.00 0.00 0.00 179.25 179.66 2cru h ARG 52 N 0.75 0.11 0.23 0.00 2.47 -0.57 0.13 114.38 117.51 2cru h ARG 52 Ca 0.35 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 59.05 2cru h ARG 52 Cb 0.26 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.56 2cru h ARG 52 CO -0.21 0.07 -0.11 0.00 0.56 0.00 0.00 179.97 180.27 2cru h ALA 53 N 1.85 -0.32 -0.71 0.04 0.00 -1.24 -2.85 119.26 116.03 2cru h ALA 53 Ca 0.56 -0.20 0.16 0.00 0.00 0.00 0.00 54.91 55.42 2cru h ALA 53 Cb 1.13 0.12 -0.12 0.00 0.00 0.00 0.00 17.79 18.92 2cru h ALA 53 CO -0.76 -0.45 0.02 -0.09 0.00 0.00 0.00 179.25 177.97 2cru h ARG 54 N -0.76 0.12 0.38 0.00 9.65 -0.89 -1.65 114.38 121.23 2cru h ARG 54 Ca -0.03 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 2cru h ARG 54 Cb 0.50 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.05 2cru h ARG 54 CO 0.05 0.08 -0.30 1.25 2.80 0.00 0.00 179.97 183.85 2cru h LEU 55 N 0.12 -0.80 -0.90 3.80 5.85 -0.84 -2.42 115.31 120.12 2cru h LEU 55 Ca 0.38 0.06 0.13 0.00 0.84 0.00 0.00 57.88 59.29 2cru h LEU 55 Cb 0.66 0.25 -0.14 0.00 0.37 0.00 0.00 40.66 41.80 2cru h LEU 55 CO -0.61 -0.43 -0.43 -1.28 -0.34 0.00 0.00 178.44 175.36 2cru h SER 56 N -0.66 -1.55 -0.60 1.25 0.87 -1.18 0.18 113.55 111.86 2cru h SER 56 Ca -0.05 0.30 0.11 0.00 -1.23 0.00 0.00 61.79 60.92 2cru h SER 56 Cb 0.55 0.77 -0.12 0.00 -0.44 0.00 0.00 62.40 63.16 2cru h SER 56 CO 0.01 -0.29 -0.28 -1.13 -0.53 0.00 0.00 176.83 174.61 2cru h ASN 57 N -0.05 -0.97 -0.05 6.23 -1.24 -1.19 -1.00 115.58 117.31 2cru h ASN 57 Ca 0.28 0.21 0.02 0.00 0.71 0.00 0.00 56.30 57.52 2cru h ASN 57 Cb 0.55 0.51 -0.02 0.00 0.73 0.00 0.00 38.32 40.10 2cru h ASN 57 CO -0.91 -0.28 -0.08 0.25 -1.29 0.00 0.00 177.43 175.13 2cru h LEU 58 N -0.12 -0.23 -0.80 0.34 5.85 -0.20 -2.31 115.31 117.84 2cru h LEU 58 Ca 0.26 0.04 0.32 0.00 0.84 0.00 0.00 57.88 59.34 2cru h LEU 58 Cb 0.53 0.11 -0.13 0.00 0.37 0.00 0.00 40.66 41.55 2cru h LEU 58 CO -0.67 -0.11 0.45 0.00 -0.34 0.00 0.00 178.44 177.77 2cru n ALA 59 N -2.34 0.81 0.00 1.25 0.00 -0.30 0.17 120.51 120.11 2cru n ALA 59 Ca -0.05 0.73 -0.13 0.00 0.00 0.00 0.00 53.44 53.99 2cru n ALA 59 Cb 0.13 -0.76 -0.09 0.00 0.00 0.00 0.00 19.45 18.73 2cru n ALA 59 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2cru h LEU 60 N 0.00 -0.02 0.60 0.00 3.38 -1.33 -2.39 115.31 115.56 2cru h LEU 60 Ca 0.63 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 2cru h LEU 60 Cb 1.75 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.52 2cru h LEU 60 CO -0.52 0.38 -0.29 0.58 0.09 0.00 0.00 178.44 178.67 2cru h VAL 61 N -0.41 0.00 -3.02 1.22 2.07 0.17 -3.41 116.25 112.86 2cru h VAL 61 Ca -0.00 -0.40 -0.61 0.00 0.82 0.00 0.00 66.70 66.51 2cru h VAL 61 Cb 0.40 0.00 -0.40 0.00 -1.52 0.00 0.00 31.29 29.77 2cru h VAL 61 CO 0.00 0.00 -0.73 -1.59 0.02 0.00 0.00 177.57 175.27 2cru s LYS 62 N -4.19 1.30 0.54 1.57 -2.85 0.89 -4.95 119.74 112.05 2cru s LYS 62 Ca -0.12 -2.00 0.33 0.00 -1.00 0.00 0.00 55.97 53.19 2cru s LYS 62 Cb 0.01 -2.38 1.39 0.00 -2.06 0.00 0.00 37.83 34.79 2cru s LYS 62 CO 0.36 -1.15 1.98 -1.00 0.10 0.00 0.00 175.35 175.64 2cru h PRO 63 N 6.78 0.00 0.00 1.78 0.13 -1.59 -2.86 132.00 136.25 2cru h PRO 63 Ca -0.02 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 2cru h PRO 63 Cb 0.93 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.06 2cru h PRO 63 CO 0.49 0.00 -0.04 1.49 -0.23 0.00 0.00 178.00 179.71 2cru h GLU 64 N 0.00 0.00 -0.59 0.86 4.81 -1.92 -2.87 114.58 114.87 2cru h GLU 64 Ca 0.00 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 2cru h GLU 64 Cb 0.48 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.81 2cru h GLU 64 CO 0.00 0.95 0.33 -0.22 -0.73 0.00 0.00 179.01 179.34 2cru h LYS 65 N -1.00 0.62 -0.74 1.92 1.63 -1.97 -2.24 116.57 114.78 2cru h LYS 65 Ca -0.01 -0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 59.70 2cru h LYS 65 Cb 0.96 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 32.42 2cru h LYS 65 CO -0.01 0.41 0.25 1.15 -3.45 0.00 0.00 179.45 177.80 2cru h THR 66 N 0.63 1.26 -0.76 1.00 2.02 -1.64 -2.88 112.91 112.54 2cru h THR 66 Ca 0.25 -0.87 0.17 0.00 0.77 0.00 0.00 66.41 66.73 2cru h THR 66 Cb 0.11 0.43 -0.11 0.00 -1.74 0.00 0.00 68.15 66.84 2cru h THR 66 CO -0.15 0.34 0.18 0.50 0.37 0.00 0.00 175.52 176.77 2cru h LYS 67 N 1.08 0.25 0.38 6.66 3.64 -1.16 -1.78 116.57 125.64 2cru h LYS 67 Ca 0.24 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2cru h LYS 67 Cb 0.28 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 2cru h LYS 67 CO -0.01 0.17 -0.43 0.00 -2.27 0.00 0.00 179.45 176.91 2cru h ALA 68 N 1.63 -0.92 -0.23 5.00 0.00 -1.39 -2.86 119.26 120.51 2cru h ALA 68 Ca 0.43 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.23 2cru h ALA 68 Cb 0.75 0.63 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 2cru h ALA 68 CO -0.53 -1.06 -0.29 0.28 0.00 0.00 0.00 179.25 177.65 2cru h VAL 69 N -0.84 0.00 -0.82 0.00 2.07 -1.37 0.47 116.25 115.76 2cru h VAL 69 Ca -0.03 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.70 2cru h VAL 69 Cb 0.76 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.37 2cru h VAL 69 CO -0.09 0.00 -0.02 -0.62 0.02 0.00 0.00 177.57 176.85 2cru n GLU 70 N -4.11 -0.07 0.04 1.57 1.02 -0.94 0.22 120.64 118.38 2cru n GLU 70 Ca -0.02 1.24 -0.12 0.00 -0.02 0.00 0.00 57.16 58.25 2cru n GLU 70 Cb 0.18 -1.95 0.00 0.00 -0.02 0.00 0.00 31.44 29.65 2cru n GLU 70 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2cru h ASN 71 N 0.00 0.56 -0.60 1.62 2.35 -0.86 -2.93 115.58 115.72 2cru h ASN 71 Ca 0.48 -0.38 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 2cru h ASN 71 Cb 0.95 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.13 2cru h ASN 71 CO -0.79 1.14 0.30 0.22 -1.65 0.00 0.00 177.43 176.65 2cru h TYR 72 N 0.31 0.84 0.29 1.19 3.20 0.74 -2.84 116.97 120.70 2cru h TYR 72 Ca -0.04 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 2cru h TYR 72 Cb 1.36 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.37 2cru h TYR 72 CO 0.05 0.63 -0.14 -0.07 -1.64 0.00 0.00 178.16 177.00 2cru h LEU 73 N 0.81 -0.33 -0.73 2.82 3.38 -0.54 -2.88 115.31 117.84 2cru h LEU 73 Ca 0.21 -0.10 0.11 0.00 0.09 0.00 0.00 57.88 58.18 2cru h LEU 73 Cb 0.09 0.08 -0.12 0.00 0.09 0.00 0.00 40.66 40.80 2cru h LEU 73 CO -0.03 -0.09 -0.43 0.40 0.09 0.00 0.00 178.44 178.38 2cru h ILE 74 N -0.55 0.07 -0.78 1.22 2.04 -1.44 0.47 117.51 118.54 2cru h ILE 74 Ca -0.04 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.96 2cru h ILE 74 Cb 0.41 0.07 -0.09 0.00 -0.74 0.00 0.00 36.82 36.46 2cru h ILE 74 CO 0.06 0.00 0.33 1.56 0.00 0.00 0.00 178.15 180.11 2cru h GLN 75 N -0.14 0.47 -0.06 2.37 4.20 -1.48 0.15 115.11 120.62 2cru h GLN 75 Ca 0.23 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.81 2cru h GLN 75 Cb 0.55 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 2cru h GLN 75 CO -0.79 0.31 -0.43 0.52 -0.67 0.00 0.00 178.83 177.77 2cru h MET 76 N 0.48 0.13 -0.17 1.46 2.86 -0.27 -2.26 114.93 117.16 2cru h MET 76 Ca 0.43 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.99 2cru h MET 76 Cb 0.64 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 2cru h MET 76 CO -0.40 0.54 0.05 0.00 1.06 0.00 0.00 176.91 178.16 2cru h ALA 77 N 1.45 0.23 -0.01 6.32 0.00 0.25 -1.29 119.26 126.21 2cru h ALA 77 Ca 0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2cru h ALA 77 Cb 0.81 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2cru h ALA 77 CO 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.17 2cru h ARG 78 N 0.09 0.02 -0.76 0.00 3.08 -1.22 -2.97 114.38 112.62 2cru h ARG 78 Ca 0.05 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.22 2cru h ARG 78 Cb 0.25 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.25 2cru h ARG 78 CO -0.00 0.32 0.50 1.88 -1.07 0.00 0.00 179.97 181.60 2cru h TYR 79 N -0.29 0.60 -0.30 3.04 -1.99 -1.41 -3.46 116.97 113.17 2cru h TYR 79 Ca 0.00 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.75 2cru h TYR 79 Cb 0.31 -0.19 0.00 0.00 2.00 0.00 0.00 36.73 38.85 2cru h TYR 79 CO 0.03 0.25 0.00 0.41 -0.00 0.00 0.00 178.16 178.85 2cru n GLY 80 N -1.49 1.02 0.13 3.88 0.00 -0.58 -5.03 105.19 103.13 2cru n GLY 80 Ca 0.14 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 2cru n GLY 80 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2cru n GLN 81 N -0.21 0.68 -1.67 1.61 6.02 -0.66 -4.90 117.38 118.24 2cru n GLN 81 Ca 0.00 0.26 -0.44 0.00 -0.01 0.00 0.00 57.00 56.81 2cru n GLN 81 Cb 0.16 -1.62 -0.03 0.00 1.02 0.00 0.00 30.24 29.77 2cru n GLN 81 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2cru n LEU 82 N -3.61 3.98 0.02 1.08 4.77 -1.25 -4.89 117.00 117.11 2cru n LEU 82 Ca -0.40 0.92 -0.19 0.00 -0.03 0.00 0.00 56.01 56.32 2cru n LEU 82 Cb 0.96 -1.49 -0.14 0.00 -2.33 0.00 0.00 43.42 40.43 2cru n LEU 82 CO 0.29 0.14 0.14 0.28 -1.33 0.00 0.00 177.39 176.91 2cru h SER 83 N 10.13 0.42 -5.39 -1.43 0.02 -1.97 -3.49 113.55 111.85 2cru h SER 83 Ca -0.49 -0.91 -0.14 0.00 -0.84 0.00 0.00 61.79 59.41 2cru h SER 83 Cb 1.25 -0.14 -0.11 0.00 0.14 0.00 0.00 62.40 63.55 2cru h SER 83 CO 0.94 1.29 -0.27 -1.83 -1.14 0.00 0.00 176.83 175.82 2cru s GLU 84 N -2.62 1.51 -0.13 3.45 -1.05 -1.26 -5.11 118.70 113.49 2cru s GLU 84 Ca -0.14 -1.44 -0.32 0.00 -0.15 0.00 0.00 54.97 52.92 2cru s GLU 84 Cb 0.01 0.41 -0.10 0.00 -0.44 0.00 0.00 34.13 34.01 2cru s GLU 84 CO 0.81 -0.59 2.02 1.63 0.95 0.00 0.00 175.26 180.07 2cru n LYS 85 N -0.38 2.13 -1.68 -4.83 5.02 -1.26 -4.89 118.16 112.26 2cru n LYS 85 Ca -0.00 0.73 -0.42 0.00 -2.02 0.00 0.00 58.31 56.60 2cru n LYS 85 Cb 0.63 -2.82 0.00 0.00 -0.02 0.00 0.00 35.03 32.82 2cru n LYS 85 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2cru n VAL 86 N 6.06 2.29 -4.10 -0.18 0.31 -0.28 -4.58 118.33 117.86 2cru n VAL 86 Ca 0.26 -0.50 -0.22 0.00 -0.01 0.00 0.00 64.34 63.87 2cru n VAL 86 Cb 0.34 -1.49 -0.04 0.00 -0.91 0.00 0.00 33.84 31.74 2cru n VAL 86 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2cru s SER 87 N -0.47 5.62 0.17 4.52 0.15 -1.26 -2.06 113.70 120.37 2cru s SER 87 Ca 0.59 -0.21 -0.15 0.00 0.70 0.00 0.00 55.95 56.88 2cru s SER 87 Cb -0.55 -1.46 0.14 0.00 -1.71 0.00 0.00 66.02 62.44 2cru s SER 87 CO 0.60 -0.04 1.20 1.21 1.20 0.00 0.00 173.24 177.40 2cru n GLU 88 N -1.18 -0.21 -0.03 5.44 2.13 -1.26 -0.33 120.64 125.20 2cru n GLU 88 Ca -0.08 1.18 -0.12 0.00 0.66 0.00 0.00 57.16 58.80 2cru n GLU 88 Cb 0.58 -1.75 -0.08 0.00 0.27 0.00 0.00 31.44 30.45 2cru n GLU 88 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 2cru h GLN 89 N 0.00 -0.42 -0.12 5.31 4.15 -1.98 -1.53 115.11 120.52 2cru h GLN 89 Ca 0.24 0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.74 2cru h GLN 89 Cb 0.44 0.10 -0.06 0.00 0.21 0.00 0.00 27.48 28.16 2cru h GLN 89 CO -0.76 -0.28 -0.27 0.78 -1.93 0.00 0.00 178.83 176.37 2cru h GLY 90 N -0.44 -0.32 -0.67 2.39 0.00 -1.06 -2.74 103.07 100.23 2cru h GLY 90 Ca 0.03 0.32 0.08 0.00 0.00 0.00 0.00 47.33 47.76 2cru h GLY 90 CO -0.39 -0.21 -0.54 -2.00 0.00 0.00 0.00 176.54 173.41 2cru h LEU 91 N -0.34 -1.88 -0.88 3.11 5.85 -0.58 0.97 115.31 121.56 2cru h LEU 91 Ca 0.10 0.28 0.13 0.00 0.84 0.00 0.00 57.88 59.23 2cru h LEU 91 Cb 0.49 0.82 -0.14 0.00 0.37 0.00 0.00 40.66 42.19 2cru h LEU 91 CO -0.31 -0.32 -0.41 0.40 -0.34 0.00 0.00 178.44 177.46 2cru h ILE 92 N -0.20 0.04 0.01 4.05 2.04 -0.99 0.81 117.51 123.28 2cru h ILE 92 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.00 2cru h ILE 92 Cb 0.52 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 2cru h ILE 92 CO -0.76 0.00 -0.02 -0.33 0.00 0.00 0.00 178.15 177.04 2cru h GLU 93 N -0.06 -0.05 -0.37 2.37 4.39 -0.97 -3.07 114.58 116.82 2cru h GLU 93 Ca 0.28 0.00 0.06 0.00 0.34 0.00 0.00 59.36 60.05 2cru h GLU 93 Cb 0.56 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.14 2cru h GLU 93 CO -0.89 -0.03 -0.47 0.82 -1.16 0.00 0.00 179.01 177.27 2cru h ILE 94 N -0.05 0.07 -0.89 3.13 2.04 0.14 0.39 117.51 122.34 2cru h ILE 94 Ca 0.01 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.15 2cru h ILE 94 Cb 0.05 0.07 -0.16 0.00 -0.74 0.00 0.00 36.82 36.04 2cru h ILE 94 CO -0.01 0.00 0.17 0.18 0.00 0.00 0.00 178.15 178.48 2cru n LEU 95 N -5.41 0.03 0.06 1.44 4.77 -0.20 0.23 117.00 117.93 2cru n LEU 95 Ca -0.02 1.50 -0.11 0.00 -0.03 0.00 0.00 56.01 57.35 2cru n LEU 95 Cb 0.35 -0.61 -0.00 0.00 -2.33 0.00 0.00 43.42 40.83 2cru n LEU 95 CO 0.04 -1.57 0.27 0.11 -1.33 0.00 0.00 177.39 174.91 2cru h LYS 96 N 0.00 0.36 0.22 3.23 1.57 -1.02 -3.30 116.57 117.63 2cru h LYS 96 Ca 0.61 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 2cru h LYS 96 Cb 1.40 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.80 2cru h LYS 96 CO -0.79 1.01 -0.10 0.87 -0.57 0.00 0.00 179.45 179.87 2cru h LYS 97 N 0.22 -0.28 -0.57 3.15 1.57 0.45 -2.72 116.57 118.39 2cru h LYS 97 Ca -0.05 0.02 0.17 0.00 -1.87 0.00 0.00 60.65 58.91 2cru h LYS 97 Cb 1.44 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.79 2cru h LYS 97 CO 0.14 0.01 0.76 -0.39 -0.57 0.00 0.00 179.45 179.39 2cru h VAL 98 N -0.57 0.17 -0.97 0.50 -1.51 -0.51 0.15 116.25 113.51 2cru h VAL 98 Ca -0.03 0.00 0.20 0.00 -1.23 0.00 0.00 66.70 65.64 2cru h VAL 98 Cb 0.42 0.37 -0.09 0.00 -2.13 0.00 0.00 31.29 29.86 2cru h VAL 98 CO 0.05 0.00 0.62 -1.28 -1.23 0.00 0.00 177.57 175.72 2cru h SER 99 N 0.00 0.61 0.00 4.19 0.87 -1.55 -2.89 113.55 114.78 2cru h SER 99 Ca 0.27 0.07 -0.32 0.00 -1.23 0.00 0.00 61.79 60.58 2cru h SER 99 Cb 1.78 -0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 63.65 2cru h SER 99 CO -0.00 0.22 -2.22 1.67 -0.53 0.00 0.00 176.83 175.97 2cru n GLN 100 N -4.65 0.72 -2.48 2.24 7.27 0.47 -4.73 117.38 116.22 2cru n GLN 100 Ca 0.22 0.09 -0.43 0.00 0.07 0.00 0.00 57.00 56.95 2cru n GLN 100 Cb 0.65 -1.43 0.00 0.00 2.41 0.00 0.00 30.24 31.86 2cru n GLN 100 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 2cru n GLN 101 N -3.00 3.21 -3.63 3.69 -0.06 -0.84 -4.86 117.38 111.89 2cru n GLN 101 Ca -0.36 -3.30 -0.11 0.00 -2.00 0.00 0.00 57.00 51.23 2cru n GLN 101 Cb 0.95 -3.30 -0.07 0.00 -4.06 0.00 0.00 30.24 23.76 2cru n GLN 101 CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 2cru s THR 102 N 3.07 0.00 -0.08 1.69 -1.32 -1.25 -4.61 115.64 113.15 2cru s THR 102 Ca 0.49 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.67 2cru s THR 102 Cb 0.05 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 70.13 2cru s THR 102 CO 0.02 0.00 0.79 -0.70 -2.21 0.00 0.00 174.62 172.52 2cru s GLU 103 N 0.05 0.90 0.77 7.08 2.56 -1.26 -5.11 118.70 123.70 2cru s GLU 103 Ca 0.01 0.17 -0.17 0.00 0.00 0.00 0.00 54.97 54.99 2cru s GLU 103 Cb -0.04 0.43 -0.14 0.00 2.00 0.00 0.00 34.13 36.37 2cru s GLU 103 CO -0.03 -0.29 -0.51 1.17 -0.56 0.00 0.00 175.26 175.03 2cru n LYS 104 N 0.75 0.00 -4.52 4.30 3.00 -1.26 -4.98 118.16 115.45 2cru n LYS 104 Ca -0.16 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 57.94 2cru n LYS 104 Cb 0.58 -0.96 -0.15 0.00 0.00 0.00 0.00 35.03 34.50 2cru n LYS 104 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 2cru s THR 105 N -1.91 0.94 -0.00 3.15 -1.32 -1.26 -5.15 115.64 110.09 2cru s THR 105 Ca 0.45 -0.48 0.06 0.00 -1.21 0.00 0.00 61.69 60.51 2cru s THR 105 Cb -0.29 -0.81 -0.02 0.00 -1.51 0.00 0.00 72.50 69.87 2cru s THR 105 CO 0.73 0.28 -0.18 0.28 -2.21 0.00 0.00 174.62 173.52 2cru s THR 106 N -0.06 1.42 -0.23 5.08 -1.32 -1.26 -5.14 115.64 114.14 2cru s THR 106 Ca 0.01 -0.84 -0.18 0.00 -1.21 0.00 0.00 61.69 59.47 2cru s THR 106 Cb -0.07 -1.20 0.06 0.00 -1.51 0.00 0.00 72.50 69.79 2cru s THR 106 CO 0.00 0.34 0.59 0.42 -2.21 0.00 0.00 174.62 173.76 2cru s THR 107 N -0.50 -0.00 -0.10 5.08 -4.23 -1.26 -5.15 115.64 109.47 2cru s THR 107 Ca 0.07 0.02 -0.01 0.00 -1.18 0.00 0.00 61.69 60.58 2cru s THR 107 Cb -0.07 -0.84 0.03 0.00 1.34 0.00 0.00 72.50 72.96 2cru s THR 107 CO -0.00 0.01 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.36 2cru s VAL 108 N 0.82 0.69 -0.00 2.29 1.01 -1.26 -4.93 120.40 119.01 2cru s VAL 108 Ca -0.04 -0.11 -0.09 0.00 0.00 0.00 0.00 61.98 61.74 2cru s VAL 108 Cb -0.05 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.48 2cru s VAL 108 CO -0.06 0.28 0.70 0.11 0.00 0.00 0.00 175.10 176.13 2cru h LYS 109 N 8.25 -0.30 0.00 2.72 1.57 -1.96 -3.44 116.57 123.41 2cru h LYS 109 Ca -0.24 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.60 2cru h LYS 109 Cb 1.13 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 2cru h LYS 109 CO 0.33 -0.20 0.35 1.97 -0.57 0.00 0.00 179.45 181.33 2cru n PHE 110 N -3.34 -1.88 -1.60 -1.35 1.16 -1.26 -4.89 117.46 104.29 2cru n PHE 110 Ca -0.04 -1.47 -0.30 0.00 -1.87 0.00 0.00 57.45 53.76 2cru n PHE 110 Cb 0.12 0.73 0.07 0.00 -1.61 0.00 0.00 39.48 38.80 2cru n PHE 110 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 2cru s ASN 111 N -2.98 4.88 -0.05 5.98 2.47 -1.26 -4.84 114.94 119.13 2cru s ASN 111 Ca 0.17 1.37 -0.12 0.00 0.42 0.00 0.00 52.86 54.70 2cru s ASN 111 Cb -0.04 -2.16 0.02 0.00 -1.45 0.00 0.00 41.25 37.63 2cru s ASN 111 CO 0.09 -1.73 0.28 0.00 -3.72 0.00 0.00 177.10 172.01 2cru s ARG 112 N -5.15 0.51 0.18 0.43 1.04 -1.26 -5.12 118.95 109.58 2cru s ARG 112 Ca 0.60 0.03 -0.01 0.00 -1.04 0.00 0.00 55.73 55.30 2cru s ARG 112 Cb -0.14 0.23 -0.04 0.00 -2.04 0.00 0.00 34.95 32.96 2cru s ARG 112 CO 0.54 -0.12 0.37 0.45 -0.04 0.00 0.00 175.30 176.50 2cru s SER 113 N -0.73 6.39 0.00 -2.89 0.15 -1.26 -4.95 113.70 110.42 2cru s SER 113 Ca -0.08 0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.97 2cru s SER 113 Cb -0.04 -2.01 0.00 0.00 -1.71 0.00 0.00 66.02 62.26 2cru s SER 113 CO 0.02 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.07 2cru n GLY 114 N -0.47 1.19 3.77 9.45 0.00 -1.26 -5.12 105.19 112.75 2cru n GLY 114 Ca -0.05 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 2cru n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cru s PRO 115 N 0.00 3.85 0.40 1.61 0.04 -1.26 -5.05 135.00 134.58 2cru s PRO 115 Ca 0.00 1.81 0.05 0.00 0.04 0.00 0.00 61.00 62.90 2cru s PRO 115 Cb 0.00 -2.49 -0.02 0.00 0.04 0.00 0.00 34.50 32.03 2cru s PRO 115 CO 0.00 -0.49 0.19 -1.13 0.04 0.00 0.00 177.00 175.61 2cru n SER 116 N -0.31 0.69 -4.29 6.66 3.41 -1.26 -5.17 113.62 113.35 2cru n SER 116 Ca 0.06 -3.27 -0.24 0.00 -0.26 0.00 0.00 58.87 55.17 2cru n SER 116 Cb 0.47 1.26 -0.12 0.00 -0.26 0.00 0.00 64.21 65.56 2cru n SER 116 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2cru s SER 117 N -3.56 2.56 0.00 4.04 0.01 -1.26 -5.34 113.70 110.14 2cru s SER 117 Ca 0.27 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.83 2cru s SER 117 Cb 0.01 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.10 2cru s SER 117 CO 0.19 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.51