#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zey n MET 3 N 0.00 0.00 -4.49 -0.41 0.00 -1.26 -5.10 117.12 105.86 2zey n MET 3 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 57.70 57.36 2zey n MET 3 Cb 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 33.22 33.07 2zey n MET 3 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 2zey s VAL 4 N -1.02 3.74 -0.24 1.12 1.01 -1.26 -5.10 120.40 118.65 2zey s VAL 4 Ca -0.00 -0.42 -0.23 0.00 0.00 0.00 0.00 61.98 61.33 2zey s VAL 4 Cb 0.00 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 2zey s VAL 4 CO 0.00 0.51 0.74 0.21 0.00 0.00 0.00 175.10 176.57 2zey s ASN 5 N 0.18 6.73 0.39 3.32 3.84 -1.26 -4.28 114.94 123.86 2zey s ASN 5 Ca -0.03 0.90 0.27 0.00 0.21 0.00 0.00 52.86 54.22 2zey s ASN 5 Cb -0.14 -2.39 0.95 0.00 -0.55 0.00 0.00 41.25 39.12 2zey s ASN 5 CO 0.03 -0.44 1.80 0.24 -2.79 0.00 0.00 177.10 175.93 2zey h MET 6 N 7.74 0.00 -6.19 0.43 2.86 -1.06 -3.45 114.93 115.27 2zey h MET 6 Ca -0.25 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 56.83 2zey h MET 6 Cb 1.11 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.72 2zey h MET 6 CO 0.83 0.00 0.50 0.08 1.06 0.00 0.00 176.91 179.37 2zey s VAL 7 N -3.38 4.82 0.30 -2.22 1.01 -1.26 -5.01 120.40 114.67 2zey s VAL 7 Ca 0.05 1.93 -0.28 0.00 0.00 0.00 0.00 61.98 63.68 2zey s VAL 7 Cb 0.09 -4.26 -0.09 0.00 0.00 0.00 0.00 36.38 32.11 2zey s VAL 7 CO 0.54 0.03 1.00 -0.44 0.00 0.00 0.00 175.10 176.23 2zey s SER 8 N 1.09 7.30 -1.31 3.32 0.01 -1.26 -4.02 113.70 118.83 2zey s SER 8 Ca 0.46 2.01 -0.06 0.00 1.31 0.00 0.00 55.95 59.67 2zey s SER 8 Cb -0.18 -2.60 -0.00 0.00 0.21 0.00 0.00 66.02 63.45 2zey s SER 8 CO 0.17 -0.10 0.57 -3.20 0.41 0.00 0.00 173.24 171.10 2zey n ASN 9 N 0.86 -1.79 0.18 2.44 5.15 -1.26 -4.85 115.26 115.98 2zey n ASN 9 Ca 0.01 -0.97 0.14 0.00 -0.60 0.00 0.00 54.58 53.15 2zey n ASN 9 Cb 0.48 -3.35 0.50 0.00 -0.53 0.00 0.00 39.78 36.88 2zey n ASN 9 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2zey h PRO 10 N -1.86 0.00 -0.26 1.20 0.13 -1.87 -2.64 132.00 126.71 2zey h PRO 10 Ca -0.64 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 2zey h PRO 10 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2zey h PRO 10 CO 0.57 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.75 2zey n GLY 11 N 0.35 2.37 2.42 1.56 0.00 -1.26 -1.47 105.19 109.15 2zey n GLY 11 Ca 0.02 -0.31 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 2zey n GLY 11 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2zey n PHE 12 N 0.38 -0.67 0.44 1.61 3.72 -0.99 -4.49 117.46 117.45 2zey n PHE 12 Ca 0.09 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.62 2zey n PHE 12 Cb 0.38 -3.47 0.45 0.00 -0.94 0.00 0.00 39.48 35.90 2zey n PHE 12 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2zey h GLU 13 N 0.00 0.00 -0.84 -1.08 4.39 -1.84 -2.50 114.58 112.71 2zey h GLU 13 Ca -0.42 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 58.75 2zey h GLU 13 Cb 1.28 0.00 -0.29 0.00 -0.10 0.00 0.00 28.75 29.64 2zey h GLU 13 CO 0.54 0.00 0.36 -0.25 -1.16 0.00 0.00 179.01 178.50 2zey n ASP 14 N -2.48 5.43 0.00 1.42 8.00 -1.26 -4.97 116.55 122.68 2zey n ASP 14 Ca 0.03 -3.75 0.00 0.00 0.71 0.00 0.00 54.79 51.79 2zey n ASP 14 Cb 0.35 -0.78 0.00 0.00 -0.02 0.00 0.00 41.12 40.68 2zey n ASP 14 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2zey n GLY 15 N -0.97 2.65 0.72 0.44 0.00 -0.94 -2.32 105.19 104.77 2zey n GLY 15 Ca 0.54 -0.34 0.10 0.00 0.00 0.00 0.00 46.02 46.32 2zey n GLY 15 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2zey n LEU 16 N 0.00 2.15 -4.56 0.99 4.77 -1.26 -4.64 117.00 114.44 2zey n LEU 16 Ca 0.00 -0.95 -0.53 0.00 -0.03 0.00 0.00 56.01 54.50 2zey n LEU 16 Cb 0.00 -0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 40.86 2zey n LEU 16 CO 0.00 0.47 0.78 0.47 -1.33 0.00 0.00 177.39 177.78 2zey n ASP 17 N 0.64 1.17 0.00 -1.43 9.92 -0.98 -1.33 116.55 124.55 2zey n ASP 17 Ca 0.16 1.13 0.00 0.00 -0.53 0.00 0.00 54.79 55.55 2zey n ASP 17 Cb 0.39 -1.13 0.00 0.00 -0.64 0.00 0.00 41.12 39.74 2zey n ASP 17 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2zey n SER 18 N 2.21 0.00 -4.52 -2.24 7.64 -1.26 -4.68 113.62 110.77 2zey n SER 18 Ca 0.18 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.72 2zey n SER 18 Cb 0.18 -0.28 -0.12 0.00 -1.01 0.00 0.00 64.21 62.98 2zey n SER 18 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 2zey s TRP 19 N -3.33 3.10 0.36 1.43 0.52 -0.44 -4.67 118.94 115.91 2zey s TRP 19 Ca 0.00 -0.24 -0.26 0.00 0.02 0.00 0.00 56.10 55.62 2zey s TRP 19 Cb 0.00 -2.06 -0.09 0.00 -1.15 0.00 0.00 33.47 30.17 2zey s TRP 19 CO 0.00 -0.07 1.11 -0.65 0.02 0.00 0.00 176.95 177.36 2zey s GLN 20 N 0.68 4.28 -0.42 4.98 -0.21 0.55 -4.88 119.66 124.63 2zey s GLN 20 Ca 0.01 1.72 0.02 0.00 0.02 0.00 0.00 55.36 57.12 2zey s GLN 20 Cb -0.14 -2.79 0.11 0.00 1.00 0.00 0.00 33.01 31.19 2zey s GLN 20 CO 0.02 -0.09 0.16 0.34 -2.12 0.00 0.00 175.29 173.60 2zey s ASP 21 N -1.20 4.82 0.15 5.90 -1.08 -1.26 -2.37 116.67 121.63 2zey s ASP 21 Ca 0.53 -2.37 0.09 0.00 -0.52 0.00 0.00 52.55 50.28 2zey s ASP 21 Cb -0.28 -1.69 -0.15 0.00 -1.46 0.00 0.00 42.92 39.34 2zey s ASP 21 CO 0.36 -0.38 1.32 -0.50 0.52 0.00 0.00 175.17 176.48 2zey h TRP 22 N 7.42 0.00 0.00 -5.34 6.55 -1.82 -3.34 115.95 119.41 2zey h TRP 22 Ca -0.07 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.77 2zey h TRP 22 Cb 0.99 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.29 2zey h TRP 22 CO 0.51 0.90 -0.04 1.04 -1.05 0.00 0.00 178.44 179.81 2zey n GLN 23 N -3.33 1.59 -3.91 0.49 3.00 -1.25 -5.00 117.38 108.97 2zey n GLN 23 Ca 0.00 -2.13 -0.31 0.00 -0.01 0.00 0.00 57.00 54.55 2zey n GLN 23 Cb 0.90 -1.27 0.00 0.00 0.00 0.00 0.00 30.24 29.86 2zey n GLN 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2zey n GLN 24 N -1.06 -1.93 -0.73 -1.09 3.00 -1.26 -4.89 117.38 109.43 2zey n GLN 24 Ca 0.10 0.34 0.02 0.00 -0.01 0.00 0.00 57.00 57.46 2zey n GLN 24 Cb 0.54 -4.00 0.03 0.00 0.00 0.00 0.00 30.24 26.81 2zey n GLN 24 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2zey n ASP 25 N -2.74 0.58 -4.26 1.08 2.03 -1.26 -5.08 116.55 106.90 2zey n ASP 25 Ca -0.21 -2.20 -0.29 0.00 0.52 0.00 0.00 54.79 52.62 2zey n ASP 25 Cb 0.64 -0.27 -0.16 0.00 -0.72 0.00 0.00 41.12 40.62 2zey n ASP 25 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 2zey s MET 26 N -0.44 1.81 -0.04 -0.67 -1.94 -1.26 -1.76 119.30 115.00 2zey s MET 26 Ca 0.14 -0.85 -0.16 0.00 -1.71 0.00 0.00 55.69 53.11 2zey s MET 26 Cb 0.15 -1.78 0.03 0.00 2.01 0.00 0.00 34.83 35.24 2zey s MET 26 CO -0.05 0.48 0.36 -1.54 -0.01 0.00 0.00 175.02 174.27 2zey s SER 27 N -0.64 -0.28 -0.32 3.03 1.04 -0.80 -5.01 113.70 110.72 2zey s SER 27 Ca 0.09 0.28 -0.11 0.00 0.48 0.00 0.00 55.95 56.69 2zey s SER 27 Cb -0.09 0.43 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 2zey s SER 27 CO -0.00 -0.40 0.18 0.00 0.98 0.00 0.00 173.24 174.00 2zey s ALA 28 N -1.01 3.35 0.01 5.32 0.00 -1.26 -0.35 121.76 127.82 2zey s ALA 28 Ca -0.11 -1.39 -0.06 0.00 0.00 0.00 0.00 51.96 50.40 2zey s ALA 28 Cb -0.04 -2.48 -0.00 0.00 0.00 0.00 0.00 23.12 20.59 2zey s ALA 28 CO 0.04 -0.93 0.11 0.14 0.00 0.00 0.00 175.76 175.12 2zey s VAL 29 N 1.65 0.09 0.35 0.00 -7.23 -0.30 -4.87 120.40 110.08 2zey s VAL 29 Ca 0.05 -0.76 0.04 0.00 -1.81 0.00 0.00 61.98 59.50 2zey s VAL 29 Cb -0.17 -0.45 0.28 0.00 0.56 0.00 0.00 36.38 36.60 2zey s VAL 29 CO 0.08 -0.42 1.96 -0.65 -0.31 0.00 0.00 175.10 175.76 2zey h PRO 30 N 4.26 0.81 0.00 4.82 0.11 -1.86 -1.86 132.00 138.29 2zey h PRO 30 Ca -0.31 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.75 2zey h PRO 30 Cb 1.19 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 2zey h PRO 30 CO 0.41 0.54 -0.00 1.05 -0.21 0.00 0.00 178.00 179.79 2zey h GLU 31 N 0.84 0.00 -0.24 1.05 4.11 -1.93 -1.26 114.58 117.15 2zey h GLU 31 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.74 2zey h GLU 31 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2zey h GLU 31 CO -0.10 0.00 0.00 0.00 0.07 0.00 0.00 179.01 178.98 2zey n ALA 32 N -2.10 2.45 -2.08 1.06 0.00 -0.95 -4.99 120.51 113.91 2zey n ALA 32 Ca -0.03 -0.83 -0.41 0.00 0.00 0.00 0.00 53.44 52.17 2zey n ALA 32 Cb 0.10 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 2zey n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2zey s ALA 33 N -1.71 3.45 -0.22 0.00 0.00 -0.47 -3.96 121.76 118.85 2zey s ALA 33 Ca 0.35 0.96 -0.16 0.00 0.00 0.00 0.00 51.96 53.11 2zey s ALA 33 Cb 0.21 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.81 2zey s ALA 33 CO 0.31 -0.40 -0.28 1.58 0.00 0.00 0.00 175.76 176.97 2zey n HIS 34 N 2.65 0.21 -4.48 0.00 -0.00 -1.26 -4.88 115.22 107.46 2zey n HIS 34 Ca 0.05 0.09 -0.24 0.00 0.46 0.00 0.00 57.72 58.08 2zey n HIS 34 Cb 0.44 -0.79 -0.10 0.00 -0.12 0.00 0.00 29.99 29.42 2zey n HIS 34 CO 0.00 0.00 0.00 -0.80 0.46 0.00 0.00 176.34 176.00 2zey s ASN 35 N -6.62 3.56 0.62 0.26 0.02 -1.26 -5.07 114.94 106.44 2zey s ASN 35 Ca -0.31 -1.07 0.00 0.00 -1.02 0.00 0.00 52.86 50.45 2zey s ASN 35 Cb 0.08 -0.30 0.00 0.00 0.02 0.00 0.00 41.25 41.05 2zey s ASN 35 CO 0.45 -0.04 0.00 0.61 0.02 0.00 0.00 177.10 178.14 2zey n GLY 36 N -0.65 0.04 0.11 0.66 0.00 -1.26 -4.17 105.19 99.91 2zey n GLY 36 Ca -0.05 -1.00 0.02 0.00 0.00 0.00 0.00 46.02 44.99 2zey n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2zey h ALA 37 N -0.62 0.65 -2.78 4.61 0.00 -1.96 -3.48 119.26 115.68 2zey h ALA 37 Ca 0.00 -0.64 -0.33 0.00 0.00 0.00 0.00 54.91 53.95 2zey h ALA 37 Cb 0.00 0.15 -0.18 0.00 0.00 0.00 0.00 17.79 17.76 2zey h ALA 37 CO 0.00 0.73 -0.74 -0.51 0.00 0.00 0.00 179.25 178.73 2zey s LEU 38 N -5.93 2.39 0.18 0.00 1.43 -1.26 -3.92 118.68 111.58 2zey s LEU 38 Ca -0.01 -0.80 -0.01 0.00 -1.03 0.00 0.00 54.13 52.29 2zey s LEU 38 Cb 0.08 -0.32 -0.04 0.00 0.03 0.00 0.00 46.19 45.94 2zey s LEU 38 CO 0.79 -0.25 0.10 -0.83 0.23 0.00 0.00 176.35 176.39 2zey s GLY 39 N -2.39 1.32 -0.15 -3.19 0.00 -0.74 -4.42 107.32 97.75 2zey s GLY 39 Ca 0.05 -1.64 -0.20 0.00 0.00 0.00 0.00 44.72 42.93 2zey s GLY 39 CO 0.00 -1.41 0.56 -2.27 0.00 0.00 0.00 173.10 169.98 2zey s LEU 40 N -3.14 4.22 -0.22 0.66 2.96 -0.25 -1.15 118.68 121.76 2zey s LEU 40 Ca 0.34 0.85 -0.06 0.00 -0.22 0.00 0.00 54.13 55.04 2zey s LEU 40 Cb 0.07 -2.81 -0.02 0.00 0.50 0.00 0.00 46.19 43.93 2zey s LEU 40 CO 0.09 -0.12 0.02 -0.75 -1.32 0.00 0.00 176.35 174.26 2zey s LYS 41 N 1.18 3.59 -0.29 1.98 2.20 0.53 -1.25 119.74 127.69 2zey s LYS 41 Ca 0.28 -0.52 -0.08 0.00 -0.36 0.00 0.00 55.97 55.29 2zey s LYS 41 Cb -0.16 -3.15 -0.01 0.00 -1.51 0.00 0.00 37.83 33.00 2zey s LYS 41 CO 0.11 -0.09 0.10 0.42 -0.36 0.00 0.00 175.35 175.54 2zey s ILE 42 N 1.28 4.32 0.30 5.43 1.01 0.27 -1.90 121.20 131.91 2zey s ILE 42 Ca 0.04 -0.41 -0.29 0.00 0.00 0.00 0.00 60.65 59.98 2zey s ILE 42 Cb -0.15 -3.15 -0.10 0.00 0.01 0.00 0.00 42.46 39.08 2zey s ILE 42 CO 0.01 0.16 1.33 -0.83 0.00 0.00 0.00 174.94 175.62 2zey s GLY 43 N 1.58 2.81 1.13 6.18 0.00 -0.72 -1.35 107.32 116.94 2zey s GLY 43 Ca 0.05 1.26 -0.18 0.00 0.00 0.00 0.00 44.72 45.85 2zey s GLY 43 CO 0.04 2.00 1.14 -0.32 0.00 0.00 0.00 173.10 175.96 2zey s GLY 44 N -0.23 1.60 0.00 0.20 0.00 -1.23 -4.46 107.32 103.21 2zey s GLY 44 Ca 0.52 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 44.35 2zey s GLY 44 CO 0.49 -0.07 0.00 0.61 0.00 0.00 0.00 173.10 174.14 2zey n GLY 45 N -1.39 3.11 3.38 0.20 0.00 0.85 -4.93 105.19 106.42 2zey n GLY 45 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 2zey n GLY 45 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2zey s LYS 46 N -0.74 1.13 0.18 1.61 -2.85 -1.26 -4.87 119.74 112.94 2zey s LYS 46 Ca 0.00 -0.45 -0.30 0.00 -1.00 0.00 0.00 55.97 54.22 2zey s LYS 46 Cb 0.00 0.51 -0.09 0.00 -2.06 0.00 0.00 37.83 36.20 2zey s LYS 46 CO 0.00 -0.45 1.34 0.00 0.10 0.00 0.00 175.35 176.34 2zey s ALA 47 N -3.27 3.55 0.08 0.59 0.00 -1.25 -4.75 121.76 116.71 2zey s ALA 47 Ca -0.01 1.13 -0.26 0.00 0.00 0.00 0.00 51.96 52.82 2zey s ALA 47 Cb 0.00 -3.50 0.08 0.00 0.00 0.00 0.00 23.12 19.70 2zey s ALA 47 CO -0.08 -0.57 0.70 0.00 0.00 0.00 0.00 175.76 175.81 2zey s ALA 48 N 0.37 -1.69 0.00 0.00 0.00 -0.71 -4.99 121.76 114.73 2zey s ALA 48 Ca 0.59 0.75 0.00 0.00 0.00 0.00 0.00 51.96 53.30 2zey s ALA 48 Cb -0.37 0.62 0.00 0.00 0.00 0.00 0.00 23.12 23.37 2zey s ALA 48 CO 0.36 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.84 2zey n GLY 49 N -0.19 0.76 3.87 0.00 0.00 -1.26 -0.21 105.19 108.16 2zey n GLY 49 Ca -0.15 -0.73 -0.04 0.00 0.00 0.00 0.00 46.02 45.10 2zey n GLY 49 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2zey s GLY 50 N -1.92 0.18 0.00 -0.02 0.00 -0.39 -2.17 107.32 102.99 2zey s GLY 50 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 44.72 44.28 2zey s GLY 50 CO 0.00 1.95 0.00 0.61 0.00 0.00 0.00 173.10 175.66 2zey n GLY 51 N -0.67 0.82 3.26 0.20 0.00 -1.00 0.11 105.19 107.92 2zey n GLY 51 Ca -0.04 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 45.01 2zey n GLY 51 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2zey s GLN 52 N -1.99 0.40 -0.08 1.61 0.74 -0.09 -0.33 119.66 119.93 2zey s GLN 52 Ca 0.00 0.70 -0.30 0.00 0.05 0.00 0.00 55.36 55.82 2zey s GLN 52 Cb 0.00 0.04 -0.02 0.00 1.10 0.00 0.00 33.01 34.13 2zey s GLN 52 CO 0.00 -0.13 1.01 -0.51 -0.55 0.00 0.00 175.29 175.11 2zey s ASP 53 N 1.06 7.26 -0.29 6.67 1.01 -1.26 -0.34 116.67 130.78 2zey s ASP 53 Ca -0.07 1.58 -0.01 0.00 0.71 0.00 0.00 52.55 54.76 2zey s ASP 53 Cb -0.07 -2.56 0.09 0.00 1.01 0.00 0.00 42.92 41.39 2zey s ASP 53 CO -0.09 -0.41 0.08 -0.63 0.21 0.00 0.00 175.17 174.33 2zey s ILE 54 N 1.78 0.81 0.22 0.77 1.01 0.70 -4.95 121.20 121.53 2zey s ILE 54 Ca 0.50 -1.24 -0.32 0.00 0.00 0.00 0.00 60.65 59.59 2zey s ILE 54 Cb -0.19 -1.55 -0.12 0.00 0.01 0.00 0.00 42.46 40.61 2zey s ILE 54 CO 0.21 -0.59 1.69 -2.84 0.00 0.00 0.00 174.94 173.41 2zey s PRO 55 N 1.67 4.13 0.26 2.79 0.02 -1.26 -4.07 135.00 138.54 2zey s PRO 55 Ca 0.08 2.58 0.11 0.00 0.02 0.00 0.00 61.00 63.79 2zey s PRO 55 Cb -0.17 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.23 2zey s PRO 55 CO -0.23 -0.73 -0.13 -0.51 -0.33 0.00 0.00 177.00 175.08 2zey s LEU 56 N 0.94 2.81 0.35 -5.54 1.43 -1.26 -5.04 118.68 112.37 2zey s LEU 56 Ca 0.73 -0.86 -0.26 0.00 -1.03 0.00 0.00 54.13 52.71 2zey s LEU 56 Cb -0.49 -1.35 -0.09 0.00 0.03 0.00 0.00 46.19 44.29 2zey s LEU 56 CO 0.34 0.04 1.04 -0.54 0.23 0.00 0.00 176.35 177.46 2zey s LYS 57 N -3.46 4.37 0.82 1.70 1.02 -1.26 -5.05 119.74 117.88 2zey s LYS 57 Ca 0.29 1.56 -0.11 0.00 0.02 0.00 0.00 55.97 57.73 2zey s LYS 57 Cb -0.06 -2.77 0.09 0.00 -0.52 0.00 0.00 37.83 34.57 2zey s LYS 57 CO 0.16 0.03 1.09 -1.25 -0.92 0.00 0.00 175.35 174.47 2zey s PRO 58 N -2.12 1.86 -1.36 -1.68 0.04 -1.26 -3.96 135.00 126.51 2zey s PRO 58 Ca 0.53 1.03 -0.08 0.00 0.04 0.00 0.00 61.00 62.51 2zey s PRO 58 Cb -0.24 -1.86 0.06 0.00 0.04 0.00 0.00 34.50 32.49 2zey s PRO 58 CO 0.31 -1.88 0.54 0.09 0.04 0.00 0.00 177.00 176.09 2zey n ASN 59 N -3.67 -4.37 -4.07 6.66 5.03 -0.05 -4.95 115.26 109.84 2zey n ASN 59 Ca 0.08 -0.38 -0.22 0.00 0.87 0.00 0.00 54.58 54.93 2zey n ASN 59 Cb 0.54 -3.58 -0.15 0.00 -1.02 0.00 0.00 39.78 35.56 2zey n ASN 59 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2zey s THR 60 N -3.01 1.05 -0.18 3.41 2.01 -1.25 -4.86 115.64 112.81 2zey s THR 60 Ca 0.38 -0.53 -0.19 0.00 0.31 0.00 0.00 61.69 61.66 2zey s THR 60 Cb -0.20 -0.90 -0.03 0.00 0.01 0.00 0.00 72.50 71.38 2zey s THR 60 CO 0.47 0.31 0.55 -0.89 -0.69 0.00 0.00 174.62 174.38 2zey s THR 61 N -0.02 5.09 0.10 -0.82 2.01 -1.26 -1.08 115.64 119.66 2zey s THR 61 Ca -0.00 1.05 0.09 0.00 0.31 0.00 0.00 61.69 63.14 2zey s THR 61 Cb -0.08 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 2zey s THR 61 CO 0.01 0.18 -0.24 -0.31 -0.69 0.00 0.00 174.62 173.57 2zey s TYR 62 N 1.51 2.10 -0.22 4.92 2.02 0.70 -1.92 117.35 126.47 2zey s TYR 62 Ca 0.26 -0.40 -0.11 0.00 -0.37 0.00 0.00 57.07 56.46 2zey s TYR 62 Cb -0.16 -1.17 -0.05 0.00 -0.40 0.00 0.00 41.96 40.18 2zey s TYR 62 CO 0.10 0.24 0.17 0.42 -1.57 0.00 0.00 175.55 174.91 2zey s ILE 63 N -1.01 5.36 -0.19 2.71 -1.09 -0.19 -1.42 121.20 125.37 2zey s ILE 63 Ca 0.11 0.23 -0.08 0.00 -2.23 0.00 0.00 60.65 58.68 2zey s ILE 63 Cb -0.10 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.23 2zey s ILE 63 CO 0.04 0.37 0.07 -0.22 -1.23 0.00 0.00 174.94 173.98 2zey s LEU 64 N 0.80 3.85 0.04 2.97 2.96 -0.02 -1.39 118.68 127.89 2zey s LEU 64 Ca 0.09 0.09 -0.07 0.00 -0.22 0.00 0.00 54.13 54.01 2zey s LEU 64 Cb -0.13 -1.98 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 2zey s LEU 64 CO 0.02 0.16 0.14 -0.83 -1.32 0.00 0.00 176.35 174.52 2zey s GLY 65 N 0.44 0.12 0.01 7.98 0.00 -0.26 -0.68 107.32 114.92 2zey s GLY 65 Ca 0.04 -0.46 -0.28 0.00 0.00 0.00 0.00 44.72 44.02 2zey s GLY 65 CO 0.00 -0.61 0.82 0.00 0.00 0.00 0.00 173.10 173.31 2zey s ALA 66 N -2.65 -1.78 -0.14 3.20 0.00 -0.69 0.17 121.76 119.87 2zey s ALA 66 Ca -0.05 0.97 -0.04 0.00 0.00 0.00 0.00 51.96 52.84 2zey s ALA 66 Cb -0.01 0.38 -0.03 0.00 0.00 0.00 0.00 23.12 23.46 2zey s ALA 66 CO -0.05 -0.65 -0.00 -1.58 0.00 0.00 0.00 175.76 173.49 2zey s TRP 67 N -2.93 3.12 0.11 0.00 0.52 -0.94 -1.87 118.94 116.94 2zey s TRP 67 Ca 0.02 -0.08 -0.11 0.00 0.02 0.00 0.00 56.10 55.96 2zey s TRP 67 Cb -0.01 -1.94 0.01 0.00 -1.15 0.00 0.00 33.47 30.38 2zey s TRP 67 CO -0.08 0.14 0.26 0.00 0.02 0.00 0.00 176.95 177.30 2zey s ALA 68 N 0.04 -0.40 -0.25 0.98 0.00 -0.21 -1.46 121.76 120.45 2zey s ALA 68 Ca 0.02 -0.48 -0.26 0.00 0.00 0.00 0.00 51.96 51.24 2zey s ALA 68 Cb -0.13 0.58 0.10 0.00 0.00 0.00 0.00 23.12 23.67 2zey s ALA 68 CO 0.02 -0.56 0.87 -1.59 0.00 0.00 0.00 175.76 174.50 2zey s LYS 69 N -3.85 0.69 0.25 0.00 -2.85 0.12 -1.60 119.74 112.49 2zey s LYS 69 Ca 0.05 0.72 -0.12 0.00 -1.00 0.00 0.00 55.97 55.62 2zey s LYS 69 Cb 0.04 0.34 -0.08 0.00 -2.06 0.00 0.00 37.83 36.07 2zey s LYS 69 CO -0.10 -0.10 0.61 -0.06 0.10 0.00 0.00 175.35 175.79 2zey s PHE 70 N 0.10 3.44 -2.33 1.78 0.08 0.12 -0.18 117.98 121.00 2zey s PHE 70 Ca 0.01 1.01 0.28 0.00 0.12 0.00 0.00 56.93 58.35 2zey s PHE 70 Cb -0.04 -2.36 1.26 0.00 -0.57 0.00 0.00 43.02 41.31 2zey s PHE 70 CO -0.01 0.24 1.86 -0.40 -0.10 0.00 0.00 175.22 176.80 2zey n ASP 71 N -0.07 1.05 -3.46 1.36 5.75 -0.27 -4.29 116.55 116.62 2zey n ASP 71 Ca 0.01 -1.38 -0.14 0.00 -0.01 0.00 0.00 54.79 53.27 2zey n ASP 71 Cb 0.52 -0.01 -0.03 0.00 -1.03 0.00 0.00 41.12 40.57 2zey n ASP 71 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2zey s SER 72 N -1.95 -0.58 -0.03 -1.12 0.15 -1.26 -4.94 113.70 103.97 2zey s SER 72 Ca 0.40 0.22 -0.30 0.00 0.70 0.00 0.00 55.95 56.97 2zey s SER 72 Cb 0.21 0.57 -0.08 0.00 -1.71 0.00 0.00 66.02 65.01 2zey s SER 72 CO 0.33 -0.84 2.02 -0.75 1.20 0.00 0.00 173.24 175.21 2zey s LYS 73 N -2.93 3.90 0.66 5.44 2.20 -1.26 -4.80 119.74 122.95 2zey s LYS 73 Ca -0.02 2.46 -0.10 0.00 -0.36 0.00 0.00 55.97 57.95 2zey s LYS 73 Cb -0.01 -4.21 0.00 0.00 -1.51 0.00 0.00 37.83 32.11 2zey s LYS 73 CO -0.06 -1.23 1.04 -1.25 -0.36 0.00 0.00 175.35 173.49 2zey s PRO 74 N 4.91 2.98 -0.12 4.03 0.04 -1.26 -4.79 135.00 140.79 2zey s PRO 74 Ca 0.91 0.39 -0.03 0.00 0.04 0.00 0.00 61.00 62.30 2zey s PRO 74 Cb -0.40 -2.09 -0.25 0.00 0.04 0.00 0.00 34.50 31.79 2zey s PRO 74 CO 0.40 -0.88 0.35 0.00 0.04 0.00 0.00 177.00 176.91 2zey n ALA 75 N -2.86 1.01 -2.34 8.56 0.00 -1.26 -4.98 120.51 118.63 2zey n ALA 75 Ca 0.06 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.84 2zey n ALA 75 Cb 0.57 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.37 2zey n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2zey n GLY 76 N 1.96 3.03 3.37 0.00 0.00 -1.26 -5.05 105.19 107.24 2zey n GLY 76 Ca -0.31 -1.74 -0.19 0.00 0.00 0.00 0.00 46.02 43.78 2zey n GLY 76 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2zey s THR 77 N 4.19 0.87 -0.11 2.61 -4.23 -1.26 -4.78 115.64 112.93 2zey s THR 77 Ca 0.00 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.50 2zey s THR 77 Cb 0.00 -2.67 -0.02 0.00 1.34 0.00 0.00 72.50 71.15 2zey s THR 77 CO 0.00 -0.04 -0.10 0.12 -0.54 0.00 0.00 174.62 174.06 2zey s PHE 78 N -3.53 2.86 -0.07 3.99 5.36 0.43 -2.41 117.98 124.62 2zey s PHE 78 Ca 0.36 -0.37 0.05 0.00 -0.96 0.00 0.00 56.93 56.01 2zey s PHE 78 Cb 0.08 -1.81 -0.01 0.00 -0.34 0.00 0.00 43.02 40.94 2zey s PHE 78 CO 0.14 -0.01 -0.23 -0.51 -1.46 0.00 0.00 175.22 173.14 2zey s ASP 79 N -0.02 3.23 -0.16 6.13 1.01 -0.09 -0.09 116.67 126.68 2zey s ASP 79 Ca -0.02 -0.48 -0.03 0.00 0.71 0.00 0.00 52.55 52.73 2zey s ASP 79 Cb -0.14 -1.02 -0.02 0.00 1.01 0.00 0.00 42.92 42.75 2zey s ASP 79 CO 0.04 0.23 -0.05 0.68 0.21 0.00 0.00 175.17 176.27 2zey s VAL 80 N -0.06 3.72 -0.02 -1.27 -7.23 0.01 -0.50 120.40 115.05 2zey s VAL 80 Ca -0.06 -0.42 0.02 0.00 -1.81 0.00 0.00 61.98 59.71 2zey s VAL 80 Cb -0.15 -2.62 0.01 0.00 0.56 0.00 0.00 36.38 34.18 2zey s VAL 80 CO 0.05 0.49 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.59 2zey s VAL 81 N 0.44 0.48 -0.21 1.32 1.01 -0.53 -0.17 120.40 122.75 2zey s VAL 81 Ca -0.05 -0.19 -0.08 0.00 0.00 0.00 0.00 61.98 61.66 2zey s VAL 81 Cb -0.15 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 2zey s VAL 81 CO 0.03 0.17 0.08 -0.69 0.00 0.00 0.00 175.10 174.68 2zey s VAL 82 N 0.27 4.75 0.01 2.92 1.01 -0.41 -0.79 120.40 128.16 2zey s VAL 82 Ca -0.03 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.93 2zey s VAL 82 Cb -0.07 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 2zey s VAL 82 CO -0.00 0.41 -0.06 0.00 0.00 0.00 0.00 175.10 175.46 2zey s GLN 83 N 0.76 0.43 0.01 2.72 -2.07 -0.25 -0.67 119.66 120.60 2zey s GLN 83 Ca 0.04 -0.39 -0.28 0.00 -1.82 0.00 0.00 55.36 52.91 2zey s GLN 83 Cb -0.13 -0.33 0.10 0.00 -1.09 0.00 0.00 33.01 31.56 2zey s GLN 83 CO 0.02 0.08 0.88 1.52 -1.32 0.00 0.00 175.29 176.47 2zey s TYR 84 N -0.59 -0.34 0.20 9.60 -0.85 -1.06 -0.88 117.35 123.42 2zey s TYR 84 Ca -0.03 0.19 -0.20 0.00 -0.52 0.00 0.00 57.07 56.52 2zey s TYR 84 Cb -0.05 0.55 -0.08 0.00 0.38 0.00 0.00 41.96 42.76 2zey s TYR 84 CO -0.00 -0.58 0.71 -1.01 -1.52 0.00 0.00 175.55 173.15 2zey s HIS 85 N -3.17 3.68 0.77 -3.49 3.76 -1.26 -1.24 115.29 114.35 2zey s HIS 85 Ca 0.05 1.39 -0.12 0.00 -0.15 0.00 0.00 55.06 56.23 2zey s HIS 85 Cb -0.01 -2.61 0.06 0.00 1.11 0.00 0.00 32.58 31.12 2zey s HIS 85 CO -0.09 0.37 1.12 -0.51 -0.85 0.00 0.00 174.74 174.79 2zey s LEU 86 N -1.84 2.64 -0.88 0.89 1.43 0.30 0.06 118.68 121.28 2zey s LEU 86 Ca 0.41 1.09 -0.10 0.00 -1.03 0.00 0.00 54.13 54.50 2zey s LEU 86 Cb -0.17 -3.73 0.23 0.00 0.03 0.00 0.00 46.19 42.55 2zey s LEU 86 CO 0.21 -1.76 0.81 -0.75 0.23 0.00 0.00 176.35 175.09 2zey s LYS 87 N -5.34 3.59 0.00 1.70 2.47 -1.25 -3.73 119.74 117.18 2zey s LYS 87 Ca 0.60 -2.73 0.00 0.00 -1.56 0.00 0.00 55.97 52.28 2zey s LYS 87 Cb -0.12 -4.33 0.00 0.00 -1.46 0.00 0.00 37.83 31.92 2zey s LYS 87 CO 0.52 -1.26 0.00 -0.40 0.16 0.00 0.00 175.35 174.37 2zey n ASP 88 N 3.46 0.00 -0.00 1.43 3.85 -1.26 -4.96 116.55 119.06 2zey n ASP 88 Ca 0.16 -0.37 0.17 0.00 -0.71 0.00 0.00 54.79 54.04 2zey n ASP 88 Cb 0.43 0.00 0.63 0.00 -1.35 0.00 0.00 41.12 40.83 2zey n ASP 88 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2zey h ALA 89 N 1.25 2.32 0.00 2.12 0.00 -2.02 -2.45 119.26 120.48 2zey h ALA 89 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2zey h ALA 89 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2zey h ALA 89 CO 0.00 -0.45 0.00 0.27 0.00 0.00 0.00 179.25 179.07 2zey n ASN 90 N -4.42 1.08 -3.66 0.00 0.23 -1.26 -5.02 115.26 102.20 2zey n ASN 90 Ca 0.09 -1.44 -0.29 0.00 -0.53 0.00 0.00 54.58 52.41 2zey n ASN 90 Cb 0.50 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 38.23 2zey n ASN 90 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2zey n ASN 91 N -0.22 -5.44 -4.52 0.53 3.02 -0.92 -4.86 115.26 102.84 2zey n ASN 91 Ca 0.00 -0.94 -0.52 0.00 -0.03 0.00 0.00 54.58 53.09 2zey n ASN 91 Cb 0.27 -3.20 -0.05 0.00 -0.61 0.00 0.00 39.78 36.18 2zey n ASN 91 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2zey n THR 92 N -3.80 0.81 -3.19 3.41 -1.04 -1.26 -4.36 114.28 104.86 2zey n THR 92 Ca -0.11 -0.20 -0.39 0.00 -2.04 0.00 0.00 64.05 61.30 2zey n THR 92 Cb 0.59 -0.40 -0.06 0.00 -1.82 0.00 0.00 70.33 68.65 2zey n THR 92 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2zey s TYR 93 N -0.28 3.50 0.02 -1.42 5.04 -1.26 -0.54 117.35 122.41 2zey s TYR 93 Ca 0.77 1.01 0.08 0.00 -2.44 0.00 0.00 57.07 56.49 2zey s TYR 93 Cb -1.00 -2.69 -0.02 0.00 0.35 0.00 0.00 41.96 38.59 2zey s TYR 93 CO 0.54 0.06 -0.25 0.14 -1.34 0.00 0.00 175.55 174.71 2zey s VAL 94 N 0.98 2.00 -0.07 3.14 -7.23 -0.37 -4.99 120.40 113.85 2zey s VAL 94 Ca 0.30 -1.23 0.00 0.00 -1.81 0.00 0.00 61.98 59.25 2zey s VAL 94 Cb -0.16 -1.69 0.02 0.00 0.56 0.00 0.00 36.38 35.11 2zey s VAL 94 CO 0.13 0.42 -0.04 -1.10 -0.31 0.00 0.00 175.10 174.20 2zey s GLN 95 N -0.96 1.00 -0.40 4.82 -0.21 -1.26 -2.57 119.66 120.09 2zey s GLN 95 Ca 0.10 -0.10 -0.14 0.00 0.02 0.00 0.00 55.36 55.25 2zey s GLN 95 Cb -0.10 -1.11 0.02 0.00 1.00 0.00 0.00 33.01 32.82 2zey s GLN 95 CO 0.01 -0.19 0.27 -1.01 -2.12 0.00 0.00 175.29 172.25 2zey s HIS 96 N 1.43 3.24 -0.14 0.91 3.76 0.16 -4.98 115.29 119.67 2zey s HIS 96 Ca -0.02 -0.66 0.02 0.00 -0.15 0.00 0.00 55.06 54.25 2zey s HIS 96 Cb -0.13 -2.55 0.01 0.00 1.11 0.00 0.00 32.58 31.02 2zey s HIS 96 CO -0.03 -0.59 -0.21 0.42 -0.85 0.00 0.00 174.74 173.48 2zey s ILE 97 N 1.65 1.97 -0.22 0.60 1.01 -1.26 -1.28 121.20 123.67 2zey s ILE 97 Ca 0.04 -0.92 -0.12 0.00 0.00 0.00 0.00 60.65 59.65 2zey s ILE 97 Cb -0.19 -1.75 -0.05 0.00 0.01 0.00 0.00 42.46 40.48 2zey s ILE 97 CO 0.09 0.53 0.23 -0.76 0.00 0.00 0.00 174.94 175.04 2zey s LEU 98 N 0.91 4.15 -0.13 2.97 1.43 0.76 -4.98 118.68 123.79 2zey s LEU 98 Ca -0.05 0.26 -0.04 0.00 -1.03 0.00 0.00 54.13 53.27 2zey s LEU 98 Cb -0.15 -2.23 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 2zey s LEU 98 CO -0.03 0.04 0.02 0.20 0.23 0.00 0.00 176.35 176.80 2zey s ASN 99 N 0.93 5.29 -0.04 2.29 0.01 -1.26 -0.81 114.94 121.36 2zey s ASN 99 Ca 0.11 0.08 0.06 0.00 -0.71 0.00 0.00 52.86 52.40 2zey s ASN 99 Cb -0.14 -1.71 -0.01 0.00 0.41 0.00 0.00 41.25 39.81 2zey s ASN 99 CO 0.05 0.28 -0.22 -0.36 -1.51 0.00 0.00 177.10 175.33 2zey s PHE 100 N -0.26 2.12 -0.01 2.20 0.08 0.87 -4.97 117.98 118.00 2zey s PHE 100 Ca 0.06 -0.58 0.02 0.00 0.12 0.00 0.00 56.93 56.55 2zey s PHE 100 Cb -0.12 -1.39 0.03 0.00 -0.57 0.00 0.00 43.02 40.96 2zey s PHE 100 CO 0.02 -0.16 0.80 0.27 -0.10 0.00 0.00 175.22 176.05 2zey n ASN 101 N 2.93 0.44 -4.84 1.36 0.23 -1.26 -0.42 115.26 113.69 2zey n ASN 101 Ca -0.17 -1.68 -0.32 0.00 -0.53 0.00 0.00 54.58 51.87 2zey n ASN 101 Cb 0.52 -0.12 -0.06 0.00 -2.08 0.00 0.00 39.78 38.05 2zey n ASN 101 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 2zey s GLU 102 N -0.38 4.06 -0.00 -3.83 8.01 -1.26 -4.59 118.70 120.71 2zey s GLU 102 Ca 0.03 0.90 0.14 0.00 0.01 0.00 0.00 54.97 56.05 2zey s GLU 102 Cb 0.03 -2.25 0.40 0.00 -4.31 0.00 0.00 34.13 27.99 2zey s GLU 102 CO 0.00 -0.04 1.33 0.25 0.01 0.00 0.00 175.26 176.81 2zey n THR 103 N -0.86 1.00 -4.49 3.63 -2.24 -1.26 -0.70 114.28 109.36 2zey n THR 103 Ca 0.06 -1.00 -0.28 0.00 -2.27 0.00 0.00 64.05 60.55 2zey n THR 103 Cb 0.54 0.50 -0.13 0.00 -2.10 0.00 0.00 70.33 69.13 2zey n THR 103 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2zey s ASP 104 N -1.00 3.12 -0.20 3.42 1.01 -1.26 -4.78 116.67 116.97 2zey s ASP 104 Ca 0.30 -0.70 -0.37 0.00 0.71 0.00 0.00 52.55 52.49 2zey s ASP 104 Cb 0.16 -0.22 -0.13 0.00 1.01 0.00 0.00 42.92 43.73 2zey s ASP 104 CO 0.20 0.17 1.85 0.79 0.21 0.00 0.00 175.17 178.40 2zey n TRP 105 N 1.15 2.15 -4.61 4.23 7.02 -1.26 -4.63 117.44 121.48 2zey n TRP 105 Ca -0.18 0.26 -0.24 0.00 -1.02 0.00 0.00 57.50 56.33 2zey n TRP 105 Cb 0.53 -2.56 -0.16 0.00 -2.42 0.00 0.00 31.31 26.70 2zey n TRP 105 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 2zey s THR 106 N 4.14 1.14 -0.20 -0.99 2.01 -0.63 -4.95 115.64 116.14 2zey s THR 106 Ca 0.97 -0.52 -0.09 0.00 0.31 0.00 0.00 61.69 62.36 2zey s THR 106 Cb -0.88 -1.01 -0.05 0.00 0.01 0.00 0.00 72.50 70.57 2zey s THR 106 CO 0.58 0.35 0.11 -0.47 -0.69 0.00 0.00 174.62 174.49 2zey s TYR 107 N 0.35 3.30 0.12 4.92 5.04 -1.26 -1.05 117.35 128.78 2zey s TYR 107 Ca -0.08 0.16 0.04 0.00 -2.44 0.00 0.00 57.07 54.75 2zey s TYR 107 Cb -0.13 -2.16 -0.04 0.00 0.35 0.00 0.00 41.96 39.99 2zey s TYR 107 CO 0.02 0.15 -0.11 0.15 -1.34 0.00 0.00 175.55 174.42 2zey s LYS 108 N 0.60 0.95 0.01 4.97 1.02 -0.78 -5.00 119.74 121.51 2zey s LYS 108 Ca 0.06 -1.27 -0.19 0.00 0.02 0.00 0.00 55.97 54.59 2zey s LYS 108 Cb -0.12 -0.64 0.04 0.00 -0.52 0.00 0.00 37.83 36.58 2zey s LYS 108 CO 0.01 0.10 0.41 1.14 -0.92 0.00 0.00 175.35 176.09 2zey s GLN 109 N -3.07 0.85 0.21 1.68 -2.07 -1.26 -1.70 119.66 114.29 2zey s GLN 109 Ca 0.10 -0.22 -0.01 0.00 -1.82 0.00 0.00 55.36 53.41 2zey s GLN 109 Cb -0.02 0.38 -0.04 0.00 -1.09 0.00 0.00 33.01 32.25 2zey s GLN 109 CO 0.01 -0.27 0.15 -0.48 -1.32 0.00 0.00 175.29 173.38 2zey s LEU 110 N -1.65 1.14 -0.02 2.60 0.05 0.14 -4.99 118.68 115.96 2zey s LEU 110 Ca -0.09 -1.39 0.07 0.00 0.05 0.00 0.00 54.13 52.77 2zey s LEU 110 Cb -0.02 0.44 -0.02 0.00 -2.05 0.00 0.00 46.19 44.54 2zey s LEU 110 CO 0.02 -0.86 -0.22 -0.22 -0.55 0.00 0.00 176.35 174.51 2zey s LEU 111 N -3.16 2.04 0.06 1.48 2.96 -1.26 -0.84 118.68 119.95 2zey s LEU 111 Ca 0.38 -0.41 -0.13 0.00 -0.22 0.00 0.00 54.13 53.76 2zey s LEU 111 Cb 0.06 -1.15 0.02 0.00 0.50 0.00 0.00 46.19 45.62 2zey s LEU 111 CO 0.13 0.27 0.29 0.72 -1.32 0.00 0.00 176.35 176.44 2zey s PHE 112 N -0.51 -0.06 -0.15 5.38 -0.12 -0.51 -5.00 117.98 117.00 2zey s PHE 112 Ca 0.08 -0.14 0.01 0.00 -0.05 0.00 0.00 56.93 56.84 2zey s PHE 112 Cb -0.09 0.08 0.01 0.00 -0.63 0.00 0.00 43.02 42.39 2zey s PHE 112 CO -0.01 -0.52 -0.19 0.99 -0.05 0.00 0.00 175.22 175.44 2zey s THR 113 N -2.85 2.31 0.64 -4.49 2.01 -1.26 -0.22 115.64 111.77 2zey s THR 113 Ca -0.03 -0.89 -0.16 0.00 0.31 0.00 0.00 61.69 60.92 2zey s THR 113 Cb 0.00 -1.95 -0.01 0.00 0.01 0.00 0.00 72.50 70.55 2zey s THR 113 CO -0.05 0.53 1.12 0.42 -0.69 0.00 0.00 174.62 175.95 2zey s THR 114 N 0.86 3.18 1.23 -0.82 -4.23 -0.24 -4.87 115.64 110.75 2zey s THR 114 Ca -0.05 0.58 -0.20 0.00 -1.18 0.00 0.00 61.69 60.84 2zey s THR 114 Cb -0.15 -3.12 0.30 0.00 1.34 0.00 0.00 72.50 70.87 2zey s THR 114 CO -0.02 -0.30 1.09 -2.16 -0.54 0.00 0.00 174.62 172.69 2zey s PRO 115 N -3.92 -1.47 0.28 3.99 0.04 -1.26 -2.61 135.00 130.06 2zey s PRO 115 Ca 0.69 -0.05 0.06 0.00 0.04 0.00 0.00 61.00 61.73 2zey s PRO 115 Cb -0.22 -1.57 0.39 0.00 0.04 0.00 0.00 34.50 33.15 2zey s PRO 115 CO 0.39 -3.88 1.66 0.38 0.04 0.00 0.00 177.00 175.59 2zey h ASP 116 N -2.70 0.26 -3.62 6.66 2.03 -1.96 -0.10 116.42 116.99 2zey h ASP 116 Ca -0.45 -0.12 -0.25 0.00 -0.73 0.00 0.00 57.03 55.48 2zey h ASP 116 Cb 1.30 -0.07 -0.31 0.00 -0.83 0.00 0.00 39.33 39.42 2zey h ASP 116 CO 0.33 0.69 -0.69 -0.69 -1.03 0.00 0.00 179.24 177.85 2zey s VAL 117 N -4.04 -0.03 -0.04 4.15 1.01 -1.26 -4.73 120.40 115.46 2zey s VAL 117 Ca -0.04 0.11 -0.15 0.00 0.00 0.00 0.00 61.98 61.89 2zey s VAL 117 Cb 0.13 -0.09 -0.05 0.00 0.00 0.00 0.00 36.38 36.37 2zey s VAL 117 CO 0.78 0.04 0.40 -0.36 0.00 0.00 0.00 175.10 175.96 2zey s PHE 118 N 0.56 3.65 -0.31 5.22 0.08 -1.26 -3.91 117.98 122.02 2zey s PHE 118 Ca -0.05 0.91 0.22 0.00 0.12 0.00 0.00 56.93 58.13 2zey s PHE 118 Cb -0.06 -2.33 0.13 0.00 -0.57 0.00 0.00 43.02 40.19 2zey s PHE 118 CO -0.02 0.51 1.29 0.78 -0.10 0.00 0.00 175.22 177.68 2zey h GLY 119 N 5.32 0.00 -2.42 4.36 0.00 -0.46 -3.43 103.07 106.44 2zey h GLY 119 Ca -0.49 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.79 2zey h GLY 119 CO 0.66 0.00 -0.10 -1.35 0.00 0.00 0.00 176.54 175.74 2zey s SER 120 N -5.80 -0.12 -0.02 0.19 1.04 -1.17 -4.84 113.70 102.98 2zey s SER 120 Ca 0.03 -0.78 -0.30 0.00 0.48 0.00 0.00 55.95 55.37 2zey s SER 120 Cb 0.08 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.72 2zey s SER 120 CO 0.74 -1.08 1.23 -0.89 0.98 0.00 0.00 173.24 174.22 2zey s THR 121 N -3.97 4.12 0.42 2.02 2.01 -1.26 -4.52 115.64 114.46 2zey s THR 121 Ca 0.17 1.47 -0.26 0.00 0.31 0.00 0.00 61.69 63.39 2zey s THR 121 Cb -0.00 -3.95 -0.10 0.00 0.01 0.00 0.00 72.50 68.46 2zey s THR 121 CO 0.04 0.02 1.33 -2.65 -0.69 0.00 0.00 174.62 172.67 2zey n PRO 122 N 4.99 2.09 -4.78 4.92 -0.02 -1.26 -4.81 135.00 136.13 2zey n PRO 122 Ca 0.11 0.74 -0.26 0.00 -2.02 0.00 0.00 63.50 62.07 2zey n PRO 122 Cb 0.46 -2.46 -0.16 0.00 -0.02 0.00 0.00 33.50 31.31 2zey n PRO 122 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2zey s GLN 123 N -2.23 1.81 -0.30 -0.52 0.74 -0.06 -0.22 119.66 118.89 2zey s GLN 123 Ca 0.60 -0.57 -0.18 0.00 0.05 0.00 0.00 55.36 55.26 2zey s GLN 123 Cb -0.50 -1.54 -0.02 0.00 1.10 0.00 0.00 33.01 32.06 2zey s GLN 123 CO 0.59 0.18 0.50 -1.17 -0.55 0.00 0.00 175.29 174.84 2zey s LEU 124 N 0.21 4.17 0.03 3.68 1.98 0.54 -1.09 118.68 128.20 2zey s LEU 124 Ca -0.07 0.27 0.06 0.00 -2.89 0.00 0.00 54.13 51.49 2zey s LEU 124 Cb -0.13 -2.61 -0.03 0.00 0.66 0.00 0.00 46.19 44.08 2zey s LEU 124 CO 0.03 -0.36 -0.15 0.00 -1.89 0.00 0.00 176.35 173.99 2zey s ALA 125 N 2.33 2.72 -0.32 5.97 0.00 0.03 -0.91 121.76 131.57 2zey s ALA 125 Ca 0.19 -1.14 0.02 0.00 0.00 0.00 0.00 51.96 51.04 2zey s ALA 125 Cb -0.16 -0.86 0.09 0.00 0.00 0.00 0.00 23.12 22.19 2zey s ALA 125 CO 0.11 0.59 0.02 -0.51 0.00 0.00 0.00 175.76 175.97 2zey s LEU 126 N -1.42 4.41 -0.28 0.00 1.43 0.12 -1.45 118.68 121.49 2zey s LEU 126 Ca 0.15 -1.88 0.03 0.00 -1.03 0.00 0.00 54.13 51.40 2zey s LEU 126 Cb -0.11 -1.64 0.07 0.00 0.03 0.00 0.00 46.19 44.55 2zey s LEU 126 CO 0.06 -0.34 -0.03 0.86 0.23 0.00 0.00 176.35 177.12 2zey s TRP 127 N 1.01 3.11 -1.12 0.29 -0.11 0.35 -1.26 118.94 121.20 2zey s TRP 127 Ca 0.04 -2.36 -0.14 0.00 1.22 0.00 0.00 56.10 54.86 2zey s TRP 127 Cb -0.20 -2.14 0.18 0.00 -1.50 0.00 0.00 33.47 29.82 2zey s TRP 127 CO -0.06 -0.88 1.29 0.21 -4.62 0.00 0.00 176.95 172.89 2zey s LYS 128 N 1.14 3.99 0.41 5.86 2.20 0.71 -0.92 119.74 133.13 2zey s LYS 128 Ca -0.01 -2.52 0.28 0.00 -0.36 0.00 0.00 55.97 53.35 2zey s LYS 128 Cb -0.19 -4.93 0.95 0.00 -1.51 0.00 0.00 37.83 32.15 2zey s LYS 128 CO -0.08 -1.66 1.80 0.78 -0.36 0.00 0.00 175.35 175.84 2zey h GLY 129 N 9.27 0.00 -3.92 5.54 0.00 -1.75 -1.89 103.07 110.33 2zey h GLY 129 Ca 0.25 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 47.01 2zey h GLY 129 CO 1.16 0.00 0.28 1.34 0.00 0.00 0.00 176.54 179.32 2zey n ASP 130 N -2.77 1.77 -0.06 0.19 2.03 -1.01 -4.52 116.55 112.17 2zey n ASP 130 Ca 0.03 1.10 0.07 0.00 0.52 0.00 0.00 54.79 56.51 2zey n ASP 130 Cb 0.36 -1.39 0.10 0.00 -0.72 0.00 0.00 41.12 39.47 2zey n ASP 130 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2zey n THR 131 N -0.19 1.65 -1.64 5.18 -2.24 -1.26 -3.90 114.28 111.87 2zey n THR 131 Ca 0.08 -1.92 -0.23 0.00 -2.27 0.00 0.00 64.05 59.71 2zey n THR 131 Cb 0.38 -0.04 0.16 0.00 -2.10 0.00 0.00 70.33 68.73 2zey n THR 131 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2zey n SER 132 N -1.17 -0.11 0.01 3.42 3.41 -1.26 -4.44 113.62 113.47 2zey n SER 132 Ca 0.12 -1.34 0.11 0.00 -0.26 0.00 0.00 58.87 57.49 2zey n SER 132 Cb 0.54 -0.79 0.47 0.00 -0.26 0.00 0.00 64.21 64.16 2zey n SER 132 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2zey n LYS 133 N -3.29 0.02 -1.71 4.33 5.02 -1.26 -0.10 118.16 121.16 2zey n LYS 133 Ca 0.13 0.14 -0.42 0.00 -2.02 0.00 0.00 58.31 56.13 2zey n LYS 133 Cb 0.45 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 33.90 2zey n LYS 133 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2zey n ALA 134 N -1.52 2.62 -2.07 7.82 0.00 -1.26 -4.23 120.51 121.87 2zey n ALA 134 Ca 0.05 0.38 -0.35 0.00 0.00 0.00 0.00 53.44 53.52 2zey n ALA 134 Cb 0.26 -2.54 -0.06 0.00 0.00 0.00 0.00 19.45 17.11 2zey n ALA 134 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2zey s ASN 135 N 1.58 7.01 -0.15 0.00 -0.87 -1.26 -3.50 114.94 117.74 2zey s ASN 135 Ca 0.77 1.43 -0.03 0.00 -1.57 0.00 0.00 52.86 53.46 2zey s ASN 135 Cb -0.50 -2.43 -0.02 0.00 -0.02 0.00 0.00 41.25 38.27 2zey s ASN 135 CO 0.34 -0.04 -0.06 -0.22 -2.57 0.00 0.00 177.10 174.55 2zey s LEU 136 N -2.25 3.14 -0.12 0.60 1.98 -0.46 -1.12 118.68 120.45 2zey s LEU 136 Ca 0.47 -0.17 -0.03 0.00 -2.89 0.00 0.00 54.13 51.51 2zey s LEU 136 Cb -0.15 -1.75 -0.03 0.00 0.66 0.00 0.00 46.19 44.92 2zey s LEU 136 CO 0.20 0.17 -0.01 -0.31 -1.89 0.00 0.00 176.35 174.51 2zey s TYR 137 N 0.38 3.12 0.01 5.38 2.02 0.75 -0.57 117.35 128.44 2zey s TYR 137 Ca -0.05 0.01 -0.01 0.00 -0.37 0.00 0.00 57.07 56.65 2zey s TYR 137 Cb -0.15 -1.88 -0.01 0.00 -0.40 0.00 0.00 41.96 39.53 2zey s TYR 137 CO 0.03 0.26 0.00 0.54 -1.57 0.00 0.00 175.55 174.82 2zey s VAL 138 N -0.32 0.07 0.19 0.71 0.11 -0.38 -0.70 120.40 120.08 2zey s VAL 138 Ca 0.06 -0.57 -0.20 0.00 -2.93 0.00 0.00 61.98 58.34 2zey s VAL 138 Cb -0.12 -0.20 0.04 0.00 -1.53 0.00 0.00 36.38 34.57 2zey s VAL 138 CO 0.02 -0.32 0.58 -0.62 -3.33 0.00 0.00 175.10 171.43 2zey s ASP 139 N -0.94 -0.38 -1.00 3.54 -1.08 -0.54 -1.09 116.67 115.18 2zey s ASP 139 Ca -0.10 -0.30 -0.12 0.00 -0.52 0.00 0.00 52.55 51.51 2zey s ASP 139 Cb -0.06 0.60 -0.02 0.00 -1.46 0.00 0.00 42.92 41.98 2zey s ASP 139 CO -0.00 -1.05 0.78 0.47 0.52 0.00 0.00 175.17 175.88 2zey n ASP 140 N -0.37 -6.02 -4.79 -0.34 8.00 -0.91 -2.22 116.55 109.90 2zey n ASP 140 Ca -0.12 -0.77 -0.39 0.00 0.71 0.00 0.00 54.79 54.22 2zey n ASP 140 Cb 0.63 -3.89 -0.06 0.00 -0.02 0.00 0.00 41.12 37.78 2zey n ASP 140 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2zey s VAL 141 N -3.30 4.59 -0.04 2.53 1.01 -0.54 -3.66 120.40 120.99 2zey s VAL 141 Ca 0.32 1.45 0.04 0.00 0.00 0.00 0.00 61.98 63.79 2zey s VAL 141 Cb -0.10 -4.01 -0.00 0.00 0.00 0.00 0.00 36.38 32.27 2zey s VAL 141 CO 0.82 0.53 -0.16 -0.31 0.00 0.00 0.00 175.10 175.98 2zey s TYR 142 N -1.03 1.57 -0.20 5.22 2.02 0.13 -4.78 117.35 120.28 2zey s TYR 142 Ca 0.32 -0.44 -0.04 0.00 -0.37 0.00 0.00 57.07 56.54 2zey s TYR 142 Cb -0.21 -1.06 0.08 0.00 -0.40 0.00 0.00 41.96 40.36 2zey s TYR 142 CO 0.22 -0.15 0.14 -1.17 -1.57 0.00 0.00 175.55 173.02 2zey s LEU 143 N 0.04 0.22 -0.02 -1.29 2.96 -1.25 -1.11 118.68 118.23 2zey s LEU 143 Ca -0.03 -0.61 0.01 0.00 -0.22 0.00 0.00 54.13 53.28 2zey s LEU 143 Cb -0.11 -0.06 0.01 0.00 0.50 0.00 0.00 46.19 46.54 2zey s LEU 143 CO 0.02 -0.36 -0.04 0.54 -1.32 0.00 0.00 176.35 175.19 2zey s VAL 144 N 2.19 0.40 0.13 1.68 0.11 -0.48 -0.31 120.40 124.12 2zey s VAL 144 Ca 0.05 -0.13 -0.30 0.00 -2.93 0.00 0.00 61.98 58.67 2zey s VAL 144 Cb -0.16 -0.39 -0.07 0.00 -1.53 0.00 0.00 36.38 34.23 2zey s VAL 144 CO -0.15 0.15 1.12 -0.70 -3.33 0.00 0.00 175.10 172.19 2zey s GLU 145 N 0.41 4.55 0.00 1.54 2.12 -1.26 -1.02 118.70 125.04 2zey s GLU 145 Ca -0.05 1.71 0.01 0.00 0.36 0.00 0.00 54.97 57.00 2zey s GLU 145 Cb -0.08 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 31.00 2zey s GLU 145 CO -0.00 -0.02 0.52 1.33 -0.54 0.00 0.00 175.26 176.54