#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x2k h SER 2 N 0.00 0.00 -3.57 1.61 0.87 -2.07 -3.45 113.55 106.93 1x2k h SER 2 Ca 0.00 -0.41 -0.67 0.00 -1.23 0.00 0.00 61.79 59.48 1x2k h SER 2 Cb 0.00 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 61.80 1x2k h SER 2 CO 0.00 0.90 -0.70 -0.55 -0.53 0.00 0.00 176.83 175.95 1x2k s SER 3 N -6.05 4.65 -0.69 6.23 0.15 -1.26 -4.77 113.70 111.95 1x2k s SER 3 Ca -0.14 -0.17 -0.04 0.00 0.70 0.00 0.00 55.95 56.29 1x2k s SER 3 Cb 0.01 -1.07 0.01 0.00 -1.71 0.00 0.00 66.02 63.25 1x2k s SER 3 CO 0.37 0.26 0.67 0.61 1.20 0.00 0.00 173.24 176.35 1x2k n GLY 4 N 1.38 -1.20 3.11 9.45 0.00 -1.26 -4.97 105.19 111.69 1x2k n GLY 4 Ca -0.15 0.66 -0.36 0.00 0.00 0.00 0.00 46.02 46.16 1x2k n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x2k s SER 5 N -2.87 5.25 0.14 1.61 1.04 -1.26 -4.72 113.70 112.89 1x2k s SER 5 Ca 0.06 -2.56 0.08 0.00 0.48 0.00 0.00 55.95 54.01 1x2k s SER 5 Cb -0.01 -1.85 -0.04 0.00 0.10 0.00 0.00 66.02 64.22 1x2k s SER 5 CO 0.78 -0.44 -0.12 -0.55 0.98 0.00 0.00 173.24 173.90 1x2k s SER 6 N 1.11 4.23 -0.17 7.02 0.15 -1.26 -4.98 113.70 119.80 1x2k s SER 6 Ca 0.14 -0.50 -0.09 0.00 0.70 0.00 0.00 55.95 56.20 1x2k s SER 6 Cb -0.21 -0.73 0.06 0.00 -1.71 0.00 0.00 66.02 63.43 1x2k s SER 6 CO -0.04 0.15 0.41 -0.83 1.20 0.00 0.00 173.24 174.13 1x2k s GLY 7 N -2.44 -0.33 0.50 9.45 0.00 -1.26 -4.79 107.32 108.45 1x2k s GLY 7 Ca 0.22 1.52 -0.10 0.00 0.00 0.00 0.00 44.72 46.37 1x2k s GLY 7 CO 0.14 1.72 0.87 0.54 0.00 0.00 0.00 173.10 176.37 1x2k s LYS 8 N 1.47 3.67 -0.18 2.90 1.02 -0.97 -4.90 119.74 122.75 1x2k s LYS 8 Ca -0.09 0.51 -0.01 0.00 0.02 0.00 0.00 55.97 56.40 1x2k s LYS 8 Cb -0.09 -2.27 -0.00 0.00 -0.52 0.00 0.00 37.83 34.96 1x2k s LYS 8 CO -0.13 -0.27 -0.12 0.08 -0.92 0.00 0.00 175.35 173.99 1x2k s VAL 9 N -2.75 2.80 0.05 3.17 1.01 -1.26 -1.59 120.40 121.83 1x2k s VAL 9 Ca 0.52 -0.71 0.09 0.00 0.00 0.00 0.00 61.98 61.88 1x2k s VAL 9 Cb -0.10 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 1x2k s VAL 9 CO 0.42 0.49 -0.25 -0.36 0.00 0.00 0.00 175.10 175.40 1x2k s PHE 10 N 1.08 2.19 -0.12 5.22 0.40 -0.29 -2.87 117.98 123.59 1x2k s PHE 10 Ca 0.00 -0.40 -0.02 0.00 -0.60 0.00 0.00 56.93 55.91 1x2k s PHE 10 Cb -0.14 -1.30 -0.03 0.00 0.51 0.00 0.00 43.02 42.06 1x2k s PHE 10 CO -0.03 0.14 -0.04 0.50 0.70 0.00 0.00 175.22 176.48 1x2k s ARG 11 N -1.32 3.33 -0.52 0.44 3.52 -1.22 -0.68 118.95 122.50 1x2k s ARG 11 Ca 0.11 -0.52 -0.28 0.00 -0.13 0.00 0.00 55.73 54.91 1x2k s ARG 11 Cb -0.10 -2.80 -0.00 0.00 -1.56 0.00 0.00 34.95 30.49 1x2k s ARG 11 CO 0.02 0.41 1.59 0.00 -0.81 0.00 0.00 175.30 176.52 1x2k s ALA 12 N -0.11 2.68 0.50 6.12 0.00 -1.09 -3.42 121.76 126.45 1x2k s ALA 12 Ca 0.02 -0.47 0.17 0.00 0.00 0.00 0.00 51.96 51.68 1x2k s ALA 12 Cb -0.13 -4.13 1.22 0.00 0.00 0.00 0.00 23.12 20.08 1x2k s ALA 12 CO 0.03 -3.08 2.08 -0.07 0.00 0.00 0.00 175.76 174.71 1x2k h LEU 13 N 13.96 0.11 -7.24 0.00 3.38 -1.79 -0.36 115.31 123.37 1x2k h LEU 13 Ca -0.28 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 1x2k h LEU 13 Cb 1.12 -0.02 -0.16 0.00 0.09 0.00 0.00 40.66 41.69 1x2k h LEU 13 CO 1.16 0.07 0.01 -0.31 0.09 0.00 0.00 178.44 179.46 1x2k s TYR 14 N -5.15 -0.39 -0.05 1.13 1.51 -1.26 -4.72 117.35 108.42 1x2k s TYR 14 Ca -0.06 0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 56.10 1x2k s TYR 14 Cb 0.18 0.32 -0.07 0.00 -0.11 0.00 0.00 41.96 42.29 1x2k s TYR 14 CO 0.70 -0.64 1.88 0.99 -1.11 0.00 0.00 175.55 177.37 1x2k s THR 15 N -2.56 3.24 0.09 -0.71 2.01 -1.26 -4.37 115.64 112.09 1x2k s THR 15 Ca -0.05 0.29 0.02 0.00 0.31 0.00 0.00 61.69 62.27 1x2k s THR 15 Cb -0.01 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 1x2k s THR 15 CO -0.03 -0.05 0.14 0.12 -0.69 0.00 0.00 174.62 174.11 1x2k s PHE 16 N 4.96 3.30 -0.24 4.92 5.36 -1.07 -4.89 117.98 130.32 1x2k s PHE 16 Ca 0.84 0.11 0.01 0.00 -0.96 0.00 0.00 56.93 56.94 1x2k s PHE 16 Cb -0.37 -1.64 0.04 0.00 -0.34 0.00 0.00 43.02 40.71 1x2k s PHE 16 CO 0.36 0.54 -0.12 -1.21 -1.46 0.00 0.00 175.22 173.33 1x2k s GLU 17 N -2.62 2.52 -0.08 10.12 8.01 -1.26 -3.88 118.70 131.51 1x2k s GLU 17 Ca 0.32 -1.17 -0.30 0.00 0.01 0.00 0.00 54.97 53.83 1x2k s GLU 17 Cb -0.12 -2.85 -0.04 0.00 -4.31 0.00 0.00 34.13 26.81 1x2k s GLU 17 CO 0.24 -0.46 1.51 -1.25 0.01 0.00 0.00 175.26 175.31 1x2k s PRO 18 N 1.19 4.21 0.28 0.39 0.04 -1.26 -4.90 135.00 134.94 1x2k s PRO 18 Ca -0.04 2.01 0.15 0.00 0.04 0.00 0.00 61.00 63.16 1x2k s PRO 18 Cb -0.18 -3.87 0.08 0.00 0.04 0.00 0.00 34.50 30.57 1x2k s PRO 18 CO -0.07 -0.78 1.45 0.00 0.04 0.00 0.00 177.00 177.65 1x2k h ARG 19 N 8.95 0.00 -6.35 4.56 2.47 -1.98 -3.45 114.38 118.57 1x2k h ARG 19 Ca -0.35 0.00 -0.66 0.00 -1.26 0.00 0.00 59.98 57.71 1x2k h ARG 19 Cb 1.16 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 29.35 1x2k h ARG 19 CO 0.95 0.51 -0.67 0.95 0.56 0.00 0.00 179.97 182.27 1x2k s THR 20 N -2.98 3.91 -2.00 2.04 -4.23 -1.26 -4.99 115.64 106.13 1x2k s THR 20 Ca 0.04 -0.97 0.14 0.00 -1.18 0.00 0.00 61.69 59.71 1x2k s THR 20 Cb 0.08 -2.84 0.39 0.00 1.34 0.00 0.00 72.50 71.47 1x2k s THR 20 CO 0.74 0.17 1.24 -0.81 -0.54 0.00 0.00 174.62 175.42 1x2k n PRO 21 N 0.74 0.49 -0.00 3.99 -0.04 -1.26 -1.88 135.00 137.04 1x2k n PRO 21 Ca -0.12 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.44 1x2k n PRO 21 Cb 0.52 -1.44 -0.14 0.00 -0.04 0.00 0.00 33.50 32.41 1x2k n PRO 21 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1x2k n ASP 22 N -0.94 0.64 -4.92 3.54 8.00 -1.26 -4.98 116.55 116.64 1x2k n ASP 22 Ca 0.10 -0.57 -0.27 0.00 0.71 0.00 0.00 54.79 54.77 1x2k n ASP 22 Cb 0.05 1.40 0.07 0.00 -0.02 0.00 0.00 41.12 42.62 1x2k n ASP 22 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1x2k s GLU 23 N -3.14 2.23 -0.17 -1.24 2.02 -0.79 -1.78 118.70 115.83 1x2k s GLU 23 Ca 0.01 -0.10 -0.01 0.00 0.02 0.00 0.00 54.97 54.88 1x2k s GLU 23 Cb 0.15 -2.11 -0.01 0.00 0.10 0.00 0.00 34.13 32.25 1x2k s GLU 23 CO 0.85 -1.28 -0.11 -1.17 0.02 0.00 0.00 175.26 173.57 1x2k s LEU 24 N -5.32 2.70 -0.08 1.80 2.96 0.57 -4.54 118.68 116.76 1x2k s LEU 24 Ca 0.60 -0.40 -0.24 0.00 -0.22 0.00 0.00 54.13 53.87 1x2k s LEU 24 Cb -0.11 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 1x2k s LEU 24 CO 0.46 0.07 0.73 -0.47 -1.32 0.00 0.00 176.35 175.83 1x2k s TYR 25 N 0.90 3.55 0.10 5.38 5.04 -1.26 -4.71 117.35 126.34 1x2k s TYR 25 Ca -0.03 1.26 0.01 0.00 -2.44 0.00 0.00 57.07 55.88 1x2k s TYR 25 Cb -0.15 -2.86 -0.04 0.00 0.35 0.00 0.00 41.96 39.26 1x2k s TYR 25 CO -0.00 0.02 -0.05 -0.59 -1.34 0.00 0.00 175.55 173.59 1x2k s PHE 26 N 1.06 0.85 0.21 4.97 -0.71 -1.25 -4.91 117.98 118.20 1x2k s PHE 26 Ca 0.38 -0.96 0.07 0.00 -1.04 0.00 0.00 56.93 55.38 1x2k s PHE 26 Cb -0.18 -0.51 -0.04 0.00 -1.21 0.00 0.00 43.02 41.09 1x2k s PHE 26 CO 0.18 -0.21 0.06 -1.21 -1.34 0.00 0.00 175.22 172.69 1x2k s GLU 27 N -3.86 2.55 0.05 1.99 2.02 -1.26 -2.60 118.70 117.59 1x2k s GLU 27 Ca 0.12 -1.13 -0.35 0.00 0.02 0.00 0.00 54.97 53.63 1x2k s GLU 27 Cb 0.06 -2.39 -0.14 0.00 0.10 0.00 0.00 34.13 31.75 1x2k s GLU 27 CO -0.05 0.43 1.59 -1.91 0.02 0.00 0.00 175.26 175.34 1x2k n GLU 28 N -0.52 1.80 -1.95 1.61 2.13 -1.26 -2.76 120.64 119.69 1x2k n GLU 28 Ca -0.08 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.39 1x2k n GLU 28 Cb 0.56 -2.40 0.00 0.00 0.27 0.00 0.00 31.44 29.88 1x2k n GLU 28 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1x2k n GLY 29 N 3.44 0.47 3.00 8.31 0.00 -0.15 -4.90 105.19 115.36 1x2k n GLY 29 Ca 0.19 -0.47 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 1x2k n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x2k s ASP 30 N -2.93 1.69 0.29 1.61 1.11 -1.11 -4.93 116.67 112.40 1x2k s ASP 30 Ca 0.00 -0.28 -0.29 0.00 0.18 0.00 0.00 52.55 52.16 1x2k s ASP 30 Cb 0.00 -0.78 -0.10 0.00 1.07 0.00 0.00 42.92 43.11 1x2k s ASP 30 CO 0.00 0.01 1.27 -0.63 1.18 0.00 0.00 175.17 177.00 1x2k s ILE 31 N 0.76 2.98 0.01 0.77 -1.09 -1.26 -2.66 121.20 120.71 1x2k s ILE 31 Ca -0.13 0.94 0.02 0.00 -2.23 0.00 0.00 60.65 59.25 1x2k s ILE 31 Cb -0.15 -3.60 -0.01 0.00 -1.58 0.00 0.00 42.46 37.12 1x2k s ILE 31 CO 0.03 0.20 -0.08 -0.63 -1.23 0.00 0.00 174.94 173.23 1x2k s ILE 32 N -0.81 0.59 -0.35 2.92 1.01 0.15 -4.60 121.20 120.11 1x2k s ILE 32 Ca 0.50 -0.52 -0.11 0.00 0.00 0.00 0.00 60.65 60.52 1x2k s ILE 32 Cb -0.37 -0.54 0.01 0.00 0.01 0.00 0.00 42.46 41.57 1x2k s ILE 32 CO 0.47 0.03 0.20 -0.31 0.00 0.00 0.00 174.94 175.32 1x2k s TYR 33 N -0.48 3.22 -0.40 3.97 1.51 -0.39 -1.14 117.35 123.65 1x2k s TYR 33 Ca -0.00 -0.73 -0.07 0.00 -1.01 0.00 0.00 57.07 55.26 1x2k s TYR 33 Cb -0.05 -2.43 0.08 0.00 -0.11 0.00 0.00 41.96 39.45 1x2k s TYR 33 CO 0.00 -0.55 0.22 0.42 -1.11 0.00 0.00 175.55 174.52 1x2k s ILE 34 N 1.60 3.96 -0.17 2.71 -1.09 -0.62 -1.42 121.20 126.18 1x2k s ILE 34 Ca 0.04 -1.45 0.04 0.00 -2.23 0.00 0.00 60.65 57.04 1x2k s ILE 34 Cb -0.18 -3.43 -0.13 0.00 -1.58 0.00 0.00 42.46 37.13 1x2k s ILE 34 CO 0.07 -0.47 -0.11 0.35 -1.23 0.00 0.00 174.94 173.56 1x2k n THR 35 N 4.84 1.03 -3.52 2.92 -2.24 -1.24 -2.29 114.28 113.79 1x2k n THR 35 Ca -0.09 -0.46 -0.42 0.00 -2.27 0.00 0.00 64.05 60.81 1x2k n THR 35 Cb 0.43 -1.01 -0.10 0.00 -2.10 0.00 0.00 70.33 67.54 1x2k n THR 35 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1x2k s ASP 36 N -5.52 5.97 -0.47 3.42 1.11 -1.18 -4.95 116.67 115.05 1x2k s ASP 36 Ca -0.20 -0.83 0.03 0.00 0.18 0.00 0.00 52.55 51.73 1x2k s ASP 36 Cb 0.06 -2.11 0.44 0.00 1.07 0.00 0.00 42.92 42.38 1x2k s ASP 36 CO 0.47 -0.38 1.51 0.23 1.18 0.00 0.00 175.17 178.17 1x2k n MET 37 N 5.10 3.25 -0.14 8.23 2.81 -1.26 -1.91 117.12 133.19 1x2k n MET 37 Ca -0.12 -3.89 -0.04 0.00 -1.81 0.00 0.00 57.70 51.85 1x2k n MET 37 Cb 0.47 -2.28 -0.03 0.00 -0.71 0.00 0.00 33.22 30.67 1x2k n MET 37 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1x2k n SER 38 N -0.74 -0.35 -4.84 7.83 7.64 -1.26 -4.61 113.62 117.30 1x2k n SER 38 Ca 0.50 1.11 -0.24 0.00 1.01 0.00 0.00 58.87 61.25 1x2k n SER 38 Cb 0.78 -0.34 -0.04 0.00 -1.01 0.00 0.00 64.21 63.61 1x2k n SER 38 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1x2k s ASP 39 N -3.93 4.73 -0.10 6.43 1.01 -1.26 -5.03 116.67 118.52 1x2k s ASP 39 Ca -0.04 -1.00 0.19 0.00 0.71 0.00 0.00 52.55 52.41 1x2k s ASP 39 Cb 0.04 -0.25 0.70 0.00 1.01 0.00 0.00 42.92 44.41 1x2k s ASP 39 CO 0.20 -0.75 1.61 0.41 0.21 0.00 0.00 175.17 176.85 1x2k n THR 40 N -1.51 1.72 -0.02 -1.27 -1.04 -1.26 -4.33 114.28 106.57 1x2k n THR 40 Ca 0.01 -1.19 -0.02 0.00 -2.04 0.00 0.00 64.05 60.80 1x2k n THR 40 Cb 0.63 0.18 -0.02 0.00 -1.82 0.00 0.00 70.33 69.31 1x2k n THR 40 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1x2k n ASN 41 N 1.13 3.84 -3.80 8.00 3.02 -1.26 -4.74 115.26 121.46 1x2k n ASN 41 Ca 0.25 -0.01 -0.29 0.00 -0.03 0.00 0.00 54.58 54.49 1x2k n ASN 41 Cb 0.85 0.04 -0.16 0.00 -0.61 0.00 0.00 39.78 39.90 1x2k n ASN 41 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1x2k s TRP 42 N -2.06 1.78 0.20 3.10 0.52 -1.26 -3.89 118.94 117.33 1x2k s TRP 42 Ca -0.04 -1.55 -0.05 0.00 0.02 0.00 0.00 56.10 54.48 1x2k s TRP 42 Cb 0.01 -1.55 -0.06 0.00 -1.15 0.00 0.00 33.47 30.73 1x2k s TRP 42 CO 0.08 -0.78 0.45 -1.58 0.02 0.00 0.00 176.95 175.14 1x2k s TRP 43 N 1.60 3.47 -0.34 -1.98 0.51 -0.44 -4.28 118.94 117.47 1x2k s TRP 43 Ca 0.03 0.60 -0.06 0.00 -2.12 0.00 0.00 56.10 54.55 1x2k s TRP 43 Cb -0.18 -2.05 0.04 0.00 -0.81 0.00 0.00 33.47 30.47 1x2k s TRP 43 CO -0.15 0.33 0.11 0.21 -0.51 0.00 0.00 176.95 176.94 1x2k s LYS 44 N -3.01 2.61 0.32 4.98 2.20 -0.80 0.90 119.74 126.94 1x2k s LYS 44 Ca 0.43 -1.19 -0.02 0.00 -0.36 0.00 0.00 55.97 54.82 1x2k s LYS 44 Cb -0.11 -3.46 -0.01 0.00 -1.51 0.00 0.00 37.83 32.74 1x2k s LYS 44 CO 0.26 -0.68 0.42 0.20 -0.36 0.00 0.00 175.35 175.20 1x2k s GLY 45 N 1.43 1.54 -0.03 5.54 0.00 -0.97 -3.12 107.32 111.70 1x2k s GLY 45 Ca -0.02 -1.56 0.03 0.00 0.00 0.00 0.00 44.72 43.17 1x2k s GLY 45 CO 0.03 -1.07 -0.13 -1.59 0.00 0.00 0.00 173.10 170.34 1x2k s THR 46 N -3.25 1.10 0.00 0.90 2.01 -0.51 -2.20 115.64 113.69 1x2k s THR 46 Ca 0.32 -0.53 0.00 0.00 0.31 0.00 0.00 61.69 61.79 1x2k s THR 46 Cb 0.00 -0.96 0.00 0.00 0.01 0.00 0.00 72.50 71.56 1x2k s THR 46 CO 0.20 0.33 0.00 -0.24 -0.69 0.00 0.00 174.62 174.22 1x2k n SER 47 N 3.23 0.00 -4.32 3.53 2.88 -1.16 -1.26 113.62 116.52 1x2k n SER 47 Ca -0.18 0.00 -0.46 0.00 -1.33 0.00 0.00 58.87 56.90 1x2k n SER 47 Cb 0.54 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.95 1x2k n SER 47 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1x2k s LYS 48 N -0.35 3.07 -0.80 -1.46 2.20 -1.26 -4.68 119.74 116.47 1x2k s LYS 48 Ca 0.00 -1.75 -0.09 0.00 -0.36 0.00 0.00 55.97 53.77 1x2k s LYS 48 Cb 0.00 -4.32 0.09 0.00 -1.51 0.00 0.00 37.83 32.10 1x2k s LYS 48 CO 0.00 -1.36 0.23 0.41 -0.36 0.00 0.00 175.35 174.28 1x2k n GLY 49 N 5.11 -0.16 3.23 5.54 0.00 -1.26 -4.80 105.19 112.85 1x2k n GLY 49 Ca -0.10 0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 1x2k n GLY 49 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x2k s ARG 50 N -3.79 0.80 -0.20 1.61 0.52 -1.26 -5.15 118.95 111.47 1x2k s ARG 50 Ca 0.33 -0.61 -0.03 0.00 -0.52 0.00 0.00 55.73 54.89 1x2k s ARG 50 Cb -0.19 0.34 0.07 0.00 0.52 0.00 0.00 34.95 35.68 1x2k s ARG 50 CO 0.44 -0.25 0.06 0.99 0.02 0.00 0.00 175.30 176.56 1x2k s THR 51 N -2.82 0.36 0.10 0.02 2.01 -1.26 -2.96 115.64 111.09 1x2k s THR 51 Ca -0.03 -0.54 -0.02 0.00 0.31 0.00 0.00 61.69 61.41 1x2k s THR 51 Cb 0.00 -0.96 0.01 0.00 0.01 0.00 0.00 72.50 71.55 1x2k s THR 51 CO -0.05 -0.30 0.17 0.61 -0.69 0.00 0.00 174.62 174.35 1x2k n GLY 52 N 5.10 2.35 3.79 4.40 0.00 -0.94 -4.96 105.19 114.95 1x2k n GLY 52 Ca -0.08 -1.28 -0.34 0.00 0.00 0.00 0.00 46.02 44.33 1x2k n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x2k s LEU 53 N 0.00 3.71 -0.04 0.99 1.43 -0.73 -2.28 118.68 121.75 1x2k s LEU 53 Ca 0.06 1.95 -0.03 0.00 -1.03 0.00 0.00 54.13 55.08 1x2k s LEU 53 Cb -0.01 -4.56 0.02 0.00 0.03 0.00 0.00 46.19 41.68 1x2k s LEU 53 CO 0.04 -1.02 0.10 -0.63 0.23 0.00 0.00 176.35 175.08 1x2k s ILE 54 N -2.09 -0.02 0.05 -0.59 1.01 0.26 -0.32 121.20 119.50 1x2k s ILE 54 Ca 0.67 0.08 -0.31 0.00 0.00 0.00 0.00 60.65 61.09 1x2k s ILE 54 Cb -0.18 -0.17 -0.07 0.00 0.01 0.00 0.00 42.46 42.06 1x2k s ILE 54 CO 0.27 0.03 1.41 -2.16 0.00 0.00 0.00 174.94 174.50 1x2k s PRO 55 N 0.50 4.29 0.00 2.79 0.04 -1.26 -1.33 135.00 140.02 1x2k s PRO 55 Ca -0.04 2.03 0.28 0.00 0.04 0.00 0.00 61.00 63.32 1x2k s PRO 55 Cb -0.05 -3.46 1.43 0.00 0.04 0.00 0.00 34.50 32.46 1x2k s PRO 55 CO -0.02 -0.53 1.98 -1.13 0.04 0.00 0.00 177.00 177.34 1x2k n SER 56 N 4.85 0.00 0.02 6.66 3.41 -1.25 -3.04 113.62 124.27 1x2k n SER 56 Ca 0.13 -0.11 -0.09 0.00 -0.26 0.00 0.00 58.87 58.54 1x2k n SER 56 Cb 0.43 -0.29 -0.13 0.00 -0.26 0.00 0.00 64.21 63.96 1x2k n SER 56 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1x2k h ASN 57 N 0.00 0.03 0.15 4.04 4.21 -1.90 -3.37 115.58 118.74 1x2k h ASN 57 Ca 0.00 -0.05 -0.26 0.00 1.21 0.00 0.00 56.30 57.20 1x2k h ASN 57 Cb 0.27 -0.01 0.01 0.00 -1.12 0.00 0.00 38.32 37.47 1x2k h ASN 57 CO 0.00 1.04 -1.24 1.88 -1.29 0.00 0.00 177.43 177.82 1x2k h TYR 58 N 0.01 0.57 -2.55 1.19 -1.99 -1.94 -3.47 116.97 108.78 1x2k h TYR 58 Ca -0.17 -0.41 -0.46 0.00 2.00 0.00 0.00 58.73 59.68 1x2k h TYR 58 Cb 1.92 -0.02 0.01 0.00 2.00 0.00 0.00 36.73 40.64 1x2k h TYR 58 CO 0.01 1.48 -0.22 0.14 -0.00 0.00 0.00 178.16 179.57 1x2k s VAL 59 N -2.48 4.64 -0.07 -2.88 -7.23 -1.17 -2.10 120.40 109.11 1x2k s VAL 59 Ca -0.16 -0.62 -0.20 0.00 -1.81 0.00 0.00 61.98 59.19 1x2k s VAL 59 Cb 0.03 -3.68 0.04 0.00 0.56 0.00 0.00 36.38 33.33 1x2k s VAL 59 CO 0.82 -0.40 0.46 0.00 -0.31 0.00 0.00 175.10 175.66 1x2k s ALA 60 N -2.32 -1.16 -0.43 1.32 0.00 -1.22 -4.75 121.76 113.19 1x2k s ALA 60 Ca 0.42 0.88 -0.36 0.00 0.00 0.00 0.00 51.96 52.91 1x2k s ALA 60 Cb -0.10 -0.19 -0.13 0.00 0.00 0.00 0.00 23.12 22.70 1x2k s ALA 60 CO 0.35 -0.28 2.24 -1.91 0.00 0.00 0.00 175.76 176.16 1x2k n GLU 61 N 1.61 0.83 -1.51 0.00 2.13 -1.26 -3.45 120.64 118.98 1x2k n GLU 61 Ca -0.19 0.20 -0.44 0.00 0.66 0.00 0.00 57.16 57.40 1x2k n GLU 61 Cb 0.56 -2.31 -0.01 0.00 0.27 0.00 0.00 31.44 29.96 1x2k n GLU 61 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1x2k n GLN 62 N 8.18 0.86 -3.17 5.31 6.02 -1.14 -4.92 117.38 128.52 1x2k n GLN 62 Ca 0.45 0.31 -0.39 0.00 -0.01 0.00 0.00 57.00 57.36 1x2k n GLN 62 Cb 0.19 -1.60 -0.05 0.00 1.02 0.00 0.00 30.24 29.80 1x2k n GLN 62 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1x2k s SER 63 N -0.78 6.85 0.00 1.08 1.04 -1.26 -4.96 113.70 115.66 1x2k s SER 63 Ca 0.61 1.01 0.00 0.00 0.48 0.00 0.00 55.95 58.06 1x2k s SER 63 Cb -0.70 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.07 1x2k s SER 63 CO 0.58 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.35 1x2k n GLY 64 N 3.19 0.33 3.77 7.32 0.00 -1.26 -5.12 105.19 113.42 1x2k n GLY 64 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 1x2k n GLY 64 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x2k s PRO 65 N 0.00 2.45 0.36 1.61 0.04 -1.26 -5.08 135.00 133.12 1x2k s PRO 65 Ca 0.00 1.25 0.03 0.00 0.04 0.00 0.00 61.00 62.32 1x2k s PRO 65 Cb 0.00 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 1x2k s PRO 65 CO 0.00 -1.51 0.09 -1.12 0.04 0.00 0.00 177.00 174.51 1x2k s SER 66 N -3.10 2.49 -0.86 6.66 0.01 -1.26 -5.09 113.70 112.55 1x2k s SER 66 Ca 0.63 -1.52 -0.17 0.00 1.31 0.00 0.00 55.95 56.20 1x2k s SER 66 Cb -0.18 0.22 0.16 0.00 0.21 0.00 0.00 66.02 66.43 1x2k s SER 66 CO 0.51 -0.77 0.96 -0.44 0.41 0.00 0.00 173.24 173.91 1x2k s SER 67 N -3.54 6.62 0.00 2.44 0.01 -1.26 -5.34 113.70 112.63 1x2k s SER 67 Ca 0.30 -2.17 0.28 0.00 1.31 0.00 0.00 55.95 55.68 1x2k s SER 67 Cb 0.06 -2.33 1.12 0.00 0.21 0.00 0.00 66.02 65.08 1x2k s SER 67 CO 0.15 -0.92 1.78 0.61 0.41 0.00 0.00 173.24 175.27