#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x2k s SER 2 N 0.00 4.82 0.15 1.61 1.04 -1.26 -5.06 113.70 115.00 1x2k s SER 2 Ca 0.00 -0.00 -0.30 0.00 0.48 0.00 0.00 55.95 56.13 1x2k s SER 2 Cb 0.00 -1.37 -0.17 0.00 0.10 0.00 0.00 66.02 64.58 1x2k s SER 2 CO 0.00 0.33 0.62 -1.54 0.98 0.00 0.00 173.24 173.62 1x2k n SER 3 N 2.47 -0.95 0.00 7.02 3.41 -1.26 -4.63 113.62 119.68 1x2k n SER 3 Ca -0.18 1.10 0.00 0.00 -0.26 0.00 0.00 58.87 59.53 1x2k n SER 3 Cb 0.53 -0.91 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 1x2k n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x2k n GLY 4 N 1.83 -1.54 3.70 5.00 0.00 -1.26 -5.12 105.19 107.81 1x2k n GLY 4 Ca 0.18 0.55 -0.54 0.00 0.00 0.00 0.00 46.02 46.21 1x2k n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x2k n SER 5 N 0.00 2.86 -4.86 1.61 2.88 -1.26 -4.94 113.62 109.91 1x2k n SER 5 Ca 0.00 1.03 -0.30 0.00 -1.33 0.00 0.00 58.87 58.27 1x2k n SER 5 Cb 0.00 -1.24 0.08 0.00 -0.75 0.00 0.00 64.21 62.30 1x2k n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x2k s SER 6 N 3.80 4.82 -0.29 -3.46 0.01 -1.26 -5.09 113.70 112.23 1x2k s SER 6 Ca 0.96 1.08 -0.18 0.00 1.31 0.00 0.00 55.95 59.11 1x2k s SER 6 Cb -0.91 -1.77 0.18 0.00 0.21 0.00 0.00 66.02 63.74 1x2k s SER 6 CO 0.60 -1.74 1.20 -0.83 0.41 0.00 0.00 173.24 172.88 1x2k s GLY 7 N -4.27 0.36 0.38 3.44 0.00 -1.26 -4.92 107.32 101.04 1x2k s GLY 7 Ca 0.60 3.51 -0.09 0.00 0.00 0.00 0.00 44.72 48.75 1x2k s GLY 7 CO 0.52 2.50 0.71 0.54 0.00 0.00 0.00 173.10 177.37 1x2k s LYS 8 N 0.87 3.72 -0.30 2.90 1.02 -0.81 -4.92 119.74 122.24 1x2k s LYS 8 Ca -0.05 0.32 -0.00 0.00 0.02 0.00 0.00 55.97 56.26 1x2k s LYS 8 Cb -0.03 -2.46 0.06 0.00 -0.52 0.00 0.00 37.83 34.87 1x2k s LYS 8 CO -0.12 0.02 -0.01 0.08 -0.92 0.00 0.00 175.35 174.40 1x2k s VAL 9 N -2.31 2.78 0.06 3.17 1.01 -1.26 -0.87 120.40 122.97 1x2k s VAL 9 Ca 0.49 -1.53 0.03 0.00 0.00 0.00 0.00 61.98 60.97 1x2k s VAL 9 Cb -0.10 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 1x2k s VAL 9 CO 0.32 -0.14 0.06 -0.36 0.00 0.00 0.00 175.10 174.97 1x2k s PHE 10 N 1.19 3.16 0.05 5.22 0.40 0.11 -2.97 117.98 125.15 1x2k s PHE 10 Ca -0.05 0.08 0.05 0.00 -0.60 0.00 0.00 56.93 56.42 1x2k s PHE 10 Cb -0.20 -1.63 -0.04 0.00 0.51 0.00 0.00 43.02 41.66 1x2k s PHE 10 CO -0.02 0.51 -0.08 0.50 0.70 0.00 0.00 175.22 176.82 1x2k s ARG 11 N -2.19 2.34 -0.53 0.44 3.52 -1.20 -0.70 118.95 120.62 1x2k s ARG 11 Ca 0.27 -0.88 -0.27 0.00 -0.13 0.00 0.00 55.73 54.72 1x2k s ARG 11 Cb -0.12 -2.40 0.03 0.00 -1.56 0.00 0.00 34.95 30.90 1x2k s ARG 11 CO 0.19 0.55 1.09 0.00 -0.81 0.00 0.00 175.30 176.32 1x2k s ALA 12 N -1.10 3.10 0.51 6.12 0.00 -1.17 -2.95 121.76 126.26 1x2k s ALA 12 Ca 0.19 -0.81 0.22 0.00 0.00 0.00 0.00 51.96 51.56 1x2k s ALA 12 Cb -0.11 -3.88 1.42 0.00 0.00 0.00 0.00 23.12 20.55 1x2k s ALA 12 CO 0.11 -2.41 2.14 -0.07 0.00 0.00 0.00 175.76 175.52 1x2k h LEU 13 N 11.36 0.00 -7.33 0.00 3.38 -1.69 -1.83 115.31 119.20 1x2k h LEU 13 Ca -0.25 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.80 1x2k h LEU 13 Cb 1.06 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.71 1x2k h LEU 13 CO 1.13 0.06 0.34 -0.31 0.09 0.00 0.00 178.44 179.75 1x2k s TYR 14 N -4.68 -0.34 0.09 1.13 1.51 -1.26 -4.81 117.35 108.99 1x2k s TYR 14 Ca -0.04 0.08 -0.31 0.00 -1.01 0.00 0.00 57.07 55.78 1x2k s TYR 14 Cb 0.15 0.60 -0.09 0.00 -0.11 0.00 0.00 41.96 42.51 1x2k s TYR 14 CO 0.62 -0.84 1.69 0.99 -1.11 0.00 0.00 175.55 176.90 1x2k s THR 15 N -3.52 2.86 0.15 -0.71 2.01 -1.26 -4.32 115.64 110.85 1x2k s THR 15 Ca 0.06 0.36 0.09 0.00 0.31 0.00 0.00 61.69 62.51 1x2k s THR 15 Cb -0.02 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 1x2k s THR 15 CO -0.05 0.00 -0.13 0.12 -0.69 0.00 0.00 174.62 173.87 1x2k s PHE 16 N 2.54 2.59 -0.19 4.92 5.36 -1.19 -4.93 117.98 127.08 1x2k s PHE 16 Ca 0.75 -0.24 0.01 0.00 -0.96 0.00 0.00 56.93 56.49 1x2k s PHE 16 Cb -0.42 -1.31 0.04 0.00 -0.34 0.00 0.00 43.02 40.99 1x2k s PHE 16 CO 0.33 0.47 -0.12 -1.21 -1.46 0.00 0.00 175.22 173.23 1x2k s GLU 17 N -2.55 2.19 -0.08 10.12 2.02 -1.26 -3.99 118.70 125.16 1x2k s GLU 17 Ca 0.22 -0.78 -0.30 0.00 0.02 0.00 0.00 54.97 54.14 1x2k s GLU 17 Cb -0.09 -2.36 -0.04 0.00 0.10 0.00 0.00 34.13 31.74 1x2k s GLU 17 CO 0.13 -0.36 1.51 -1.25 0.02 0.00 0.00 175.26 175.31 1x2k s PRO 18 N 1.40 4.21 0.19 0.39 0.04 -1.26 -4.91 135.00 135.06 1x2k s PRO 18 Ca 0.01 2.01 0.05 0.00 0.04 0.00 0.00 61.00 63.11 1x2k s PRO 18 Cb -0.15 -3.87 0.08 0.00 0.04 0.00 0.00 34.50 30.60 1x2k s PRO 18 CO -0.09 -0.77 1.44 0.00 0.04 0.00 0.00 177.00 177.62 1x2k h ARG 19 N 8.94 0.13 -6.19 4.56 2.47 -1.98 -3.45 114.38 118.85 1x2k h ARG 19 Ca -0.35 -0.13 -0.64 0.00 -1.26 0.00 0.00 59.98 57.60 1x2k h ARG 19 Cb 1.16 0.03 -0.09 0.00 -1.65 0.00 0.00 29.97 29.42 1x2k h ARG 19 CO 0.95 0.86 -0.60 0.95 0.56 0.00 0.00 179.97 182.69 1x2k s THR 20 N -3.30 4.51 -2.00 2.04 -4.23 -1.26 -4.99 115.64 106.41 1x2k s THR 20 Ca -0.02 -0.79 0.15 0.00 -1.18 0.00 0.00 61.69 59.85 1x2k s THR 20 Cb 0.11 -3.18 0.44 0.00 1.34 0.00 0.00 72.50 71.21 1x2k s THR 20 CO 0.81 0.11 1.34 -0.81 -0.54 0.00 0.00 174.62 175.53 1x2k n PRO 21 N 0.42 0.49 -0.01 3.99 -0.04 -1.26 -1.96 135.00 136.63 1x2k n PRO 21 Ca -0.09 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.48 1x2k n PRO 21 Cb 0.52 -1.49 -0.16 0.00 -0.04 0.00 0.00 33.50 32.33 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 -0.99 0.30 -4.45 3.54 9.92 -1.26 -4.98 116.55 118.63 1x2k n ASP 22 Ca 0.12 -0.13 -0.29 0.00 -0.53 0.00 0.00 54.79 53.95 1x2k n ASP 22 Cb 0.05 1.83 0.17 0.00 -0.64 0.00 0.00 41.12 42.53 1x2k n ASP 22 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1x2k s GLU 23 N -3.39 0.48 -0.15 -1.24 2.02 -0.83 -2.62 118.70 112.99 1x2k s GLU 23 Ca -0.06 0.09 0.00 0.00 0.02 0.00 0.00 54.97 55.03 1x2k s GLU 23 Cb 0.14 -1.78 -0.01 0.00 0.10 0.00 0.00 34.13 32.58 1x2k s GLU 23 CO 0.87 -2.60 -0.14 -1.17 0.02 0.00 0.00 175.26 172.23 1x2k s LEU 24 N -6.23 2.56 0.02 1.80 2.96 0.15 -4.50 118.68 115.43 1x2k s LEU 24 Ca 0.67 -0.42 -0.18 0.00 -0.22 0.00 0.00 54.13 53.98 1x2k s LEU 24 Cb -0.12 -1.58 -0.06 0.00 0.50 0.00 0.00 46.19 44.93 1x2k s LEU 24 CO 0.54 0.11 0.53 -0.47 -1.32 0.00 0.00 176.35 175.74 1x2k s TYR 25 N 0.67 3.73 0.23 5.38 6.14 -1.26 -4.67 117.35 127.57 1x2k s TYR 25 Ca -0.07 1.15 -0.05 0.00 0.64 0.00 0.00 57.07 58.74 1x2k s TYR 25 Cb -0.16 -2.48 -0.02 0.00 0.42 0.00 0.00 41.96 39.73 1x2k s TYR 25 CO 0.02 0.51 0.29 -0.59 0.64 0.00 0.00 175.55 176.42 1x2k s PHE 26 N -0.73 0.87 0.27 4.97 -0.71 -1.26 -4.92 117.98 116.48 1x2k s PHE 26 Ca 0.28 -1.13 0.10 0.00 -1.04 0.00 0.00 56.93 55.14 1x2k s PHE 26 Cb -0.18 -0.25 -0.05 0.00 -1.21 0.00 0.00 43.02 41.33 1x2k s PHE 26 CO 0.16 -0.81 -0.17 -1.21 -1.34 0.00 0.00 175.22 171.86 1x2k s GLU 27 N -4.02 1.62 0.00 1.99 0.41 -1.26 -3.14 118.70 114.30 1x2k s GLU 27 Ca 0.32 -1.76 -0.36 0.00 -0.41 0.00 0.00 54.97 52.77 1x2k s GLU 27 Cb 0.03 -1.59 -0.14 0.00 -1.78 0.00 0.00 34.13 30.66 1x2k s GLU 27 CO 0.12 0.26 1.64 -1.91 -0.49 0.00 0.00 175.26 174.88 1x2k n GLU 28 N -0.59 1.79 -1.93 1.61 2.13 -1.26 -2.79 120.64 119.61 1x2k n GLU 28 Ca -0.06 0.65 -0.01 0.00 0.66 0.00 0.00 57.16 58.40 1x2k n GLU 28 Cb 0.61 -2.40 0.01 0.00 0.27 0.00 0.00 31.44 29.92 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 3.64 0.52 2.90 8.31 0.00 -0.69 -4.95 105.19 114.93 1x2k n GLY 29 Ca 0.20 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.08 1.87 0.45 1.61 1.01 -1.12 -4.94 116.67 112.48 1x2k s ASP 30 Ca 0.02 -0.24 -0.25 0.00 0.71 0.00 0.00 52.55 52.78 1x2k s ASP 30 Cb -0.00 -0.72 -0.08 0.00 1.01 0.00 0.00 42.92 43.12 1x2k s ASP 30 CO 0.06 -0.10 1.39 -0.63 0.21 0.00 0.00 175.17 176.11 1x2k s ILE 31 N 1.49 2.19 -0.01 0.77 -1.09 -1.26 -3.06 121.20 120.24 1x2k s ILE 31 Ca -0.00 0.17 -0.03 0.00 -2.23 0.00 0.00 60.65 58.56 1x2k s ILE 31 Cb -0.13 -3.10 -0.00 0.00 -1.58 0.00 0.00 42.46 37.65 1x2k s ILE 31 CO -0.05 0.02 0.05 -0.63 -1.23 0.00 0.00 174.94 173.11 1x2k s ILE 32 N -1.23 0.04 -0.38 2.92 1.01 0.12 -4.58 121.20 119.10 1x2k s ILE 32 Ca 0.61 -0.35 -0.12 0.00 0.00 0.00 0.00 60.65 60.80 1x2k s ILE 32 Cb -0.42 -0.20 0.02 0.00 0.01 0.00 0.00 42.46 41.88 1x2k s ILE 32 CO 0.54 -0.19 0.23 -0.31 0.00 0.00 0.00 174.94 175.21 1x2k s TYR 33 N -0.58 3.24 -0.40 3.97 1.51 -0.87 -0.71 117.35 123.50 1x2k s TYR 33 Ca -0.07 -0.84 -0.10 0.00 -1.01 0.00 0.00 57.07 55.05 1x2k s TYR 33 Cb -0.04 -2.48 0.06 0.00 -0.11 0.00 0.00 41.96 39.39 1x2k s TYR 33 CO 0.00 -0.62 0.25 0.42 -1.11 0.00 0.00 175.55 174.49 1x2k s ILE 34 N 1.59 4.45 -0.12 2.71 -1.09 -0.05 -1.99 121.20 126.71 1x2k s ILE 34 Ca 0.03 -1.15 0.03 0.00 -2.23 0.00 0.00 60.65 57.33 1x2k s ILE 34 Cb -0.19 -3.62 -0.09 0.00 -1.58 0.00 0.00 42.46 36.98 1x2k s ILE 34 CO 0.08 -0.40 -0.07 0.35 -1.23 0.00 0.00 174.94 173.67 1x2k n THR 35 N 4.98 0.71 -3.58 2.92 -2.24 -1.23 -1.92 114.28 113.91 1x2k n THR 35 Ca -0.11 -0.32 -0.39 0.00 -2.27 0.00 0.00 64.05 60.96 1x2k n THR 35 Cb 0.44 -0.88 -0.11 0.00 -2.10 0.00 0.00 70.33 67.68 1x2k n THR 35 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x2k s ASP 36 N -4.91 5.93 -0.34 3.42 2.15 -1.21 -4.96 116.67 116.75 1x2k s ASP 36 Ca -0.13 -0.26 0.09 0.00 0.43 0.00 0.00 52.55 52.68 1x2k s ASP 36 Cb 0.04 -2.10 0.45 0.00 -0.30 0.00 0.00 42.92 41.01 1x2k s ASP 36 CO 0.32 -0.15 1.13 0.23 -0.17 0.00 0.00 175.17 176.53 1x2k n MET 37 N 5.06 3.07 -0.17 4.34 2.81 -1.26 -2.56 117.12 128.41 1x2k n MET 37 Ca -0.14 -4.12 -0.08 0.00 -1.81 0.00 0.00 57.70 51.55 1x2k n MET 37 Cb 0.51 -2.08 0.01 0.00 -0.71 0.00 0.00 33.22 30.94 1x2k n MET 37 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1x2k h SER 38 N 2.46 0.64 -3.40 7.83 0.87 -1.93 -3.40 113.55 116.63 1x2k h SER 38 Ca 0.24 -0.13 -0.67 0.00 -1.23 0.00 0.00 61.79 60.00 1x2k h SER 38 Cb 1.24 -0.16 -0.33 0.00 -0.44 0.00 0.00 62.40 62.70 1x2k h SER 38 CO 0.70 0.59 -0.79 -1.81 -0.53 0.00 0.00 176.83 174.98 1x2k s ASP 39 N -5.87 3.91 0.65 6.23 1.11 -1.26 -4.97 116.67 116.47 1x2k s ASP 39 Ca -0.13 -0.84 0.40 0.00 0.18 0.00 0.00 52.55 52.17 1x2k s ASP 39 Cb 0.11 -1.59 2.20 0.00 1.07 0.00 0.00 42.92 44.72 1x2k s ASP 39 CO 0.76 -0.08 2.24 0.74 1.18 0.00 0.00 175.17 180.01 1x2k h THR 40 N 6.13 0.00 0.06 -1.27 2.02 -1.99 -1.97 112.91 115.90 1x2k h THR 40 Ca -0.36 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 66.72 1x2k h THR 40 Cb 1.11 0.90 0.01 0.00 -1.74 0.00 0.00 68.15 68.43 1x2k h THR 40 CO 0.58 0.00 -0.44 0.78 0.37 0.00 0.00 175.52 176.81 1x2k h ASN 41 N 0.00 0.21 -3.22 4.18 4.21 -1.94 -3.39 115.58 115.63 1x2k h ASN 41 Ca 0.00 -0.96 -0.65 0.00 1.21 0.00 0.00 56.30 55.90 1x2k h ASN 41 Cb 0.16 -0.07 -0.36 0.00 -1.12 0.00 0.00 38.32 36.93 1x2k h ASN 41 CO 0.00 1.21 -0.84 0.26 -1.29 0.00 0.00 177.43 176.77 1x2k s TRP 42 N -2.32 2.64 0.13 1.19 0.52 -0.74 -3.46 118.94 116.90 1x2k s TRP 42 Ca -0.17 -1.62 0.03 0.00 0.02 0.00 0.00 56.10 54.36 1x2k s TRP 42 Cb -0.01 -1.81 -0.04 0.00 -1.15 0.00 0.00 33.47 30.47 1x2k s TRP 42 CO 0.75 -0.78 0.21 -1.58 0.02 0.00 0.00 176.95 175.57 1x2k s TRP 43 N 1.33 3.36 -0.30 -1.98 0.51 0.36 -3.98 118.94 118.24 1x2k s TRP 43 Ca 0.02 0.09 -0.02 0.00 -2.12 0.00 0.00 56.10 54.07 1x2k s TRP 43 Cb -0.14 -1.63 0.05 0.00 -0.81 0.00 0.00 33.47 30.94 1x2k s TRP 43 CO -0.11 0.53 0.01 0.21 -0.51 0.00 0.00 176.95 177.08 1x2k s LYS 44 N -3.01 2.47 0.34 4.98 2.20 -1.06 0.13 119.74 125.79 1x2k s LYS 44 Ca 0.33 -1.24 0.00 0.00 -0.36 0.00 0.00 55.97 54.70 1x2k s LYS 44 Cb -0.11 -3.21 -0.01 0.00 -1.51 0.00 0.00 37.83 32.99 1x2k s LYS 44 CO 0.26 -0.62 0.42 0.20 -0.36 0.00 0.00 175.35 175.26 1x2k s GLY 45 N 1.28 1.73 -0.06 5.54 0.00 -1.08 -3.28 107.32 111.45 1x2k s GLY 45 Ca -0.05 -1.68 0.01 0.00 0.00 0.00 0.00 44.72 43.01 1x2k s GLY 45 CO -0.01 -1.13 -0.06 -1.59 0.00 0.00 0.00 173.10 170.31 1x2k s THR 46 N -3.13 0.72 0.00 0.90 2.01 -0.84 -2.64 115.64 112.65 1x2k s THR 46 Ca 0.33 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.12 1x2k s THR 46 Cb 0.00 -0.72 0.00 0.00 0.01 0.00 0.00 72.50 71.79 1x2k s THR 46 CO 0.22 0.27 0.00 -0.24 -0.69 0.00 0.00 174.62 174.18 1x2k n SER 47 N 4.11 0.00 -4.32 3.53 2.88 -1.21 -2.05 113.62 116.56 1x2k n SER 47 Ca -0.22 0.00 -0.46 0.00 -1.33 0.00 0.00 58.87 56.86 1x2k n SER 47 Cb 0.51 -0.04 -0.05 0.00 -0.75 0.00 0.00 64.21 63.88 1x2k n SER 47 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1x2k s LYS 48 N -0.34 3.08 -0.69 -1.46 -0.14 -1.26 -4.68 119.74 114.24 1x2k s LYS 48 Ca 0.00 -1.75 -0.07 0.00 -1.36 0.00 0.00 55.97 52.79 1x2k s LYS 48 Cb 0.00 -4.32 0.07 0.00 -1.68 0.00 0.00 37.83 31.90 1x2k s LYS 48 CO 0.00 -1.36 0.17 0.41 -0.76 0.00 0.00 175.35 173.81 1x2k n GLY 49 N 5.10 -0.13 3.19 -3.33 0.00 -1.26 -4.80 105.19 103.97 1x2k n GLY 49 Ca -0.10 0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.72 0.82 -0.22 1.61 0.52 -1.26 -5.15 118.95 111.56 1x2k s ARG 50 Ca 0.24 -0.98 -0.04 0.00 -0.52 0.00 0.00 55.73 54.43 1x2k s ARG 50 Cb -0.14 0.33 0.09 0.00 0.52 0.00 0.00 34.95 35.74 1x2k s ARG 50 CO 0.39 -0.25 0.16 0.99 0.02 0.00 0.00 175.30 176.61 1x2k s THR 51 N -3.84 -0.19 0.08 0.02 2.01 -1.26 -3.36 115.64 109.10 1x2k s THR 51 Ca 0.05 -0.30 -0.02 0.00 0.31 0.00 0.00 61.69 61.73 1x2k s THR 51 Cb 0.05 -0.72 0.01 0.00 0.01 0.00 0.00 72.50 71.84 1x2k s THR 51 CO -0.11 -0.37 0.14 0.61 -0.69 0.00 0.00 174.62 174.21 1x2k n GLY 52 N 5.29 2.35 3.80 4.40 0.00 -1.08 -4.96 105.19 114.98 1x2k n GLY 52 Ca -0.06 -1.25 -0.33 0.00 0.00 0.00 0.00 46.02 44.38 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 3.55 -0.08 0.99 1.43 -1.08 -2.62 118.68 120.87 1x2k s LEU 53 Ca 0.05 1.87 -0.06 0.00 -1.03 0.00 0.00 54.13 54.96 1x2k s LEU 53 Cb -0.01 -4.54 0.03 0.00 0.03 0.00 0.00 46.19 41.70 1x2k s LEU 53 CO 0.04 -1.16 0.20 -0.63 0.23 0.00 0.00 176.35 175.02 1x2k s ILE 54 N -2.34 -0.02 -0.14 -0.59 1.01 0.34 0.31 121.20 119.78 1x2k s ILE 54 Ca 0.65 0.06 -0.29 0.00 0.00 0.00 0.00 60.65 61.07 1x2k s ILE 54 Cb -0.17 -0.30 -0.04 0.00 0.01 0.00 0.00 42.46 41.97 1x2k s ILE 54 CO 0.35 0.03 1.55 -2.16 0.00 0.00 0.00 174.94 174.70 1x2k s PRO 55 N 0.54 4.06 0.06 2.79 0.04 -1.26 -0.48 135.00 140.73 1x2k s PRO 55 Ca -0.04 1.88 0.16 0.00 0.04 0.00 0.00 61.00 63.05 1x2k s PRO 55 Cb -0.05 -3.95 0.70 0.00 0.04 0.00 0.00 34.50 31.23 1x2k s PRO 55 CO -0.03 -0.97 1.52 0.43 0.04 0.00 0.00 177.00 177.99 1x2k n SER 56 N 7.48 0.15 0.13 6.66 7.64 -1.22 -2.14 113.62 132.31 1x2k n SER 56 Ca 0.17 0.54 0.02 0.00 1.01 0.00 0.00 58.87 60.60 1x2k n SER 56 Cb 0.44 -0.57 0.03 0.00 -1.01 0.00 0.00 64.21 63.10 1x2k n SER 56 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1x2k h ASN 57 N 0.00 0.00 0.07 6.43 4.21 -1.86 -3.34 115.58 121.09 1x2k h ASN 57 Ca 0.00 0.00 -0.30 0.00 1.21 0.00 0.00 56.30 57.21 1x2k h ASN 57 Cb 0.28 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.45 1x2k h ASN 57 CO 0.00 0.54 -1.62 1.88 -1.29 0.00 0.00 177.43 176.95 1x2k h TYR 58 N 0.00 0.27 -2.90 1.19 -1.99 -1.83 -3.48 116.97 108.24 1x2k h TYR 58 Ca -0.01 -0.20 -0.52 0.00 2.00 0.00 0.00 58.73 60.01 1x2k h TYR 58 Cb 1.40 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 40.11 1x2k h TYR 58 CO 0.00 1.64 -0.26 0.14 -0.00 0.00 0.00 178.16 179.68 1x2k s VAL 59 N -2.47 5.14 -0.10 -2.88 -7.23 -1.10 -1.69 120.40 110.08 1x2k s VAL 59 Ca -0.25 -0.30 -0.18 0.00 -1.81 0.00 0.00 61.98 59.44 1x2k s VAL 59 Cb 0.06 -3.76 0.04 0.00 0.56 0.00 0.00 36.38 33.28 1x2k s VAL 59 CO 0.69 -0.29 0.44 0.00 -0.31 0.00 0.00 175.10 175.63 1x2k s ALA 60 N -2.02 -1.11 -0.35 1.32 0.00 -1.15 -4.70 121.76 113.75 1x2k s ALA 60 Ca 0.40 0.96 -0.42 0.00 0.00 0.00 0.00 51.96 52.90 1x2k s ALA 60 Cb -0.11 -0.35 -0.17 0.00 0.00 0.00 0.00 23.12 22.50 1x2k s ALA 60 CO 0.31 -0.25 1.73 -1.91 0.00 0.00 0.00 175.76 175.63 1x2k n GLU 61 N 2.00 0.80 -1.24 0.00 2.13 -1.26 -3.27 120.64 119.80 1x2k n GLU 61 Ca -0.17 0.29 -0.32 0.00 0.66 0.00 0.00 57.16 57.62 1x2k n GLU 61 Cb 0.57 -1.93 0.11 0.00 0.27 0.00 0.00 31.44 30.45 1x2k n GLU 61 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1x2k s GLN 62 N 3.54 1.96 -0.18 5.31 -0.21 -1.16 -4.95 119.66 123.96 1x2k s GLN 62 Ca 1.01 1.52 -0.29 0.00 0.02 0.00 0.00 55.36 57.63 1x2k s GLN 62 Cb -1.20 -1.84 0.12 0.00 1.00 0.00 0.00 33.01 31.09 1x2k s GLN 62 CO 0.70 -1.93 0.97 0.45 -2.12 0.00 0.00 175.29 173.37 1x2k s SER 63 N -2.58 -0.43 0.00 5.90 0.15 -1.26 -5.05 113.70 110.43 1x2k s SER 63 Ca 0.68 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.91 1x2k s SER 63 Cb -0.23 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 1x2k s SER 63 CO 0.50 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1x2k n GLY 64 N 1.18 0.77 0.05 9.45 0.00 -1.26 -5.00 105.19 110.37 1x2k n GLY 64 Ca -0.12 -0.47 0.09 0.00 0.00 0.00 0.00 46.02 45.52 1x2k n GLY 64 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x2k n PRO 65 N 0.00 0.07 -1.48 1.61 -0.04 -1.26 -4.77 135.00 129.13 1x2k n PRO 65 Ca 0.00 0.32 -0.43 0.00 -0.04 0.00 0.00 63.50 63.35 1x2k n PRO 65 Cb 0.00 -1.64 -0.10 0.00 -0.04 0.00 0.00 33.50 31.72 1x2k n PRO 65 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x2k n SER 66 N -1.78 1.14 -4.66 3.54 7.64 -1.26 -4.89 113.62 113.36 1x2k n SER 66 Ca 0.03 0.08 -0.35 0.00 1.01 0.00 0.00 58.87 59.64 1x2k n SER 66 Cb 0.19 -1.15 -0.09 0.00 -1.01 0.00 0.00 64.21 62.15 1x2k n SER 66 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x2k s SER 67 N 9.34 5.75 0.00 6.43 0.01 -1.26 -5.26 113.70 128.70 1x2k s SER 67 Ca 1.21 0.11 0.00 0.00 1.31 0.00 0.00 55.95 58.58 1x2k s SER 67 Cb -0.93 -1.99 0.00 0.00 0.21 0.00 0.00 66.02 63.31 1x2k s SER 67 CO 0.44 0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.88