#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x2k n SER 2 N 0.00 1.33 -4.66 1.61 3.41 -1.26 -4.81 113.62 109.24 1x2k n SER 2 Ca 0.00 0.35 -0.45 0.00 -0.26 0.00 0.00 58.87 58.51 1x2k n SER 2 Cb 0.00 -1.11 -0.03 0.00 -0.26 0.00 0.00 64.21 62.81 1x2k n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1x2k n SER 3 N 9.91 2.52 -3.15 4.04 3.41 -1.26 -3.34 113.62 125.75 1x2k n SER 3 Ca 0.50 1.15 -0.04 0.00 -0.26 0.00 0.00 58.87 60.23 1x2k n SER 3 Cb 0.14 -1.40 0.00 0.00 -0.26 0.00 0.00 64.21 62.68 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 1.94 -1.25 3.73 5.00 0.00 -1.26 -4.97 105.19 108.38 1x2k n GLY 4 Ca 0.11 0.52 -0.37 0.00 0.00 0.00 0.00 46.02 46.28 1x2k n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x2k s SER 5 N -2.98 6.56 -0.09 1.61 0.15 -1.21 -5.05 113.70 112.69 1x2k s SER 5 Ca 0.01 0.66 -0.28 0.00 0.70 0.00 0.00 55.95 57.04 1x2k s SER 5 Cb -0.00 -2.23 -0.02 0.00 -1.71 0.00 0.00 66.02 62.06 1x2k s SER 5 CO 0.77 0.06 0.94 -0.55 1.20 0.00 0.00 173.24 175.66 1x2k s SER 6 N 0.50 7.20 -0.08 5.45 0.15 -1.26 -5.03 113.70 120.62 1x2k s SER 6 Ca 0.21 1.47 -0.03 0.00 0.70 0.00 0.00 55.95 58.29 1x2k s SER 6 Cb -0.14 -2.53 0.04 0.00 -1.71 0.00 0.00 66.02 61.69 1x2k s SER 6 CO 0.07 -0.37 0.17 -0.83 1.20 0.00 0.00 173.24 173.48 1x2k s GLY 7 N 1.06 -0.02 0.51 9.45 0.00 -1.26 -4.75 107.32 112.32 1x2k s GLY 7 Ca 0.46 0.68 -0.11 0.00 0.00 0.00 0.00 44.72 45.76 1x2k s GLY 7 CO 0.19 1.32 0.90 0.54 0.00 0.00 0.00 173.10 176.06 1x2k s LYS 8 N 1.66 3.71 -0.23 2.90 1.02 -0.50 -4.86 119.74 123.44 1x2k s LYS 8 Ca -0.04 0.61 -0.03 0.00 0.02 0.00 0.00 55.97 56.53 1x2k s LYS 8 Cb -0.12 -2.23 0.01 0.00 -0.52 0.00 0.00 37.83 34.97 1x2k s LYS 8 CO -0.06 -0.29 -0.06 0.08 -0.92 0.00 0.00 175.35 174.10 1x2k s VAL 9 N -2.76 3.06 -0.02 3.17 1.01 -1.26 -0.35 120.40 123.25 1x2k s VAL 9 Ca 0.53 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.79 1x2k s VAL 9 Cb -0.10 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 1x2k s VAL 9 CO 0.41 0.31 -0.20 -0.36 0.00 0.00 0.00 175.10 175.26 1x2k s PHE 10 N 1.39 2.51 0.05 5.22 0.40 0.10 -3.24 117.98 124.41 1x2k s PHE 10 Ca 0.03 -0.30 0.01 0.00 -0.60 0.00 0.00 56.93 56.07 1x2k s PHE 10 Cb -0.15 -1.54 -0.04 0.00 0.51 0.00 0.00 43.02 41.80 1x2k s PHE 10 CO -0.04 0.10 0.11 0.50 0.70 0.00 0.00 175.22 176.59 1x2k s ARG 11 N -0.80 3.09 -0.59 0.44 3.52 -1.19 -1.01 118.95 122.41 1x2k s ARG 11 Ca 0.11 -0.56 -0.24 0.00 -0.13 0.00 0.00 55.73 54.92 1x2k s ARG 11 Cb -0.10 -2.85 0.05 0.00 -1.56 0.00 0.00 34.95 30.48 1x2k s ARG 11 CO 0.01 0.60 0.97 0.00 -0.81 0.00 0.00 175.30 176.07 1x2k s ALA 12 N -1.36 3.12 0.56 6.12 0.00 -1.19 -2.94 121.76 126.08 1x2k s ALA 12 Ca 0.29 -1.42 0.28 0.00 0.00 0.00 0.00 51.96 51.11 1x2k s ALA 12 Cb -0.12 -3.81 1.48 0.00 0.00 0.00 0.00 23.12 20.67 1x2k s ALA 12 CO 0.21 -2.56 1.97 -0.07 0.00 0.00 0.00 175.76 175.31 1x2k h LEU 13 N 11.22 0.00 -7.64 0.00 3.38 -1.39 -1.49 115.31 119.39 1x2k h LEU 13 Ca -0.27 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.74 1x2k h LEU 13 Cb 1.07 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.75 1x2k h LEU 13 CO 1.13 0.00 0.23 -0.31 0.09 0.00 0.00 178.44 179.58 1x2k s TYR 14 N -4.79 -0.31 -0.16 1.13 1.51 -1.26 -4.77 117.35 108.70 1x2k s TYR 14 Ca -0.05 -0.06 -0.29 0.00 -1.01 0.00 0.00 57.07 55.66 1x2k s TYR 14 Cb 0.17 0.66 -0.03 0.00 -0.11 0.00 0.00 41.96 42.65 1x2k s TYR 14 CO 0.63 -1.09 1.56 0.99 -1.11 0.00 0.00 175.55 176.54 1x2k s THR 15 N -3.83 3.76 0.12 -0.71 2.01 -1.26 -4.27 115.64 111.46 1x2k s THR 15 Ca 0.08 0.89 0.02 0.00 0.31 0.00 0.00 61.69 62.99 1x2k s THR 15 Cb -0.04 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 1x2k s THR 15 CO -0.00 -0.20 0.23 0.12 -0.69 0.00 0.00 174.62 174.08 1x2k s PHE 16 N 4.56 3.44 -0.27 4.92 5.36 -1.19 -4.93 117.98 129.87 1x2k s PHE 16 Ca 0.69 0.14 0.02 0.00 -0.96 0.00 0.00 56.93 56.83 1x2k s PHE 16 Cb -0.27 -1.68 0.07 0.00 -0.34 0.00 0.00 43.02 40.81 1x2k s PHE 16 CO 0.27 0.54 -0.06 -1.21 -1.46 0.00 0.00 175.22 173.30 1x2k s GLU 17 N -2.93 1.88 -0.20 10.12 2.02 -1.26 -4.17 118.70 124.16 1x2k s GLU 17 Ca 0.34 -1.33 -0.29 0.00 0.02 0.00 0.00 54.97 53.71 1x2k s GLU 17 Cb -0.12 -2.83 -0.03 0.00 0.10 0.00 0.00 34.13 31.26 1x2k s GLU 17 CO 0.27 -0.66 1.59 -1.25 0.02 0.00 0.00 175.26 175.24 1x2k s PRO 18 N 1.17 3.87 0.23 0.39 0.04 -1.26 -4.89 135.00 134.55 1x2k s PRO 18 Ca -0.04 1.72 0.10 0.00 0.04 0.00 0.00 61.00 62.82 1x2k s PRO 18 Cb -0.19 -4.01 0.16 0.00 0.04 0.00 0.00 34.50 30.50 1x2k s PRO 18 CO -0.07 -1.20 1.49 0.00 0.04 0.00 0.00 177.00 177.27 1x2k h ARG 19 N 10.39 0.00 -5.89 4.56 -0.00 -1.97 -3.45 114.38 118.02 1x2k h ARG 19 Ca -0.34 0.00 -0.64 0.00 -0.50 0.00 0.00 59.98 58.51 1x2k h ARG 19 Cb 1.15 0.00 -0.06 0.00 0.00 0.00 0.00 29.97 31.06 1x2k h ARG 19 CO 0.99 0.73 -0.52 0.95 0.00 0.00 0.00 179.97 182.13 1x2k s THR 20 N -3.25 5.23 -1.64 2.04 -4.23 -1.26 -4.98 115.64 107.54 1x2k s THR 20 Ca -0.00 -0.30 0.15 0.00 -1.18 0.00 0.00 61.69 60.36 1x2k s THR 20 Cb 0.11 -3.47 0.33 0.00 1.34 0.00 0.00 72.50 70.81 1x2k s THR 20 CO 0.78 0.27 1.39 -0.81 -0.54 0.00 0.00 174.62 175.70 1x2k n PRO 21 N 0.79 0.31 0.04 3.99 -0.04 -1.26 -2.02 135.00 136.81 1x2k n PRO 21 Ca -0.10 0.09 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 1x2k n PRO 21 Cb 0.52 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.18 0.40 -4.87 3.54 9.92 -1.26 -4.95 116.55 118.15 1x2k n ASP 22 Ca 0.09 0.10 -0.29 0.00 -0.53 0.00 0.00 54.79 54.16 1x2k n ASP 22 Cb 0.09 1.27 0.10 0.00 -0.64 0.00 0.00 41.12 41.94 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 -3.42 1.88 -0.07 -1.24 2.02 -0.86 -2.19 118.70 114.82 1x2k s GLU 23 Ca -0.04 0.21 0.02 0.00 0.02 0.00 0.00 54.97 55.18 1x2k s GLU 23 Cb 0.12 -1.93 -0.03 0.00 0.10 0.00 0.00 34.13 32.39 1x2k s GLU 23 CO 0.85 -1.67 -0.10 -1.17 0.02 0.00 0.00 175.26 173.19 1x2k s LEU 24 N -5.67 2.99 -0.17 1.80 2.96 0.58 -4.55 118.68 116.63 1x2k s LEU 24 Ca 0.62 -0.10 -0.11 0.00 -0.22 0.00 0.00 54.13 54.31 1x2k s LEU 24 Cb -0.12 -1.64 -0.05 0.00 0.50 0.00 0.00 46.19 44.88 1x2k s LEU 24 CO 0.50 0.34 0.21 -0.47 -1.32 0.00 0.00 176.35 175.61 1x2k s TYR 25 N -0.67 3.47 0.14 5.38 6.14 -1.26 -4.61 117.35 125.94 1x2k s TYR 25 Ca 0.10 0.49 0.00 0.00 0.64 0.00 0.00 57.07 58.30 1x2k s TYR 25 Cb -0.11 -2.21 -0.04 0.00 0.42 0.00 0.00 41.96 40.02 1x2k s TYR 25 CO 0.01 0.34 0.02 -0.59 0.64 0.00 0.00 175.55 175.98 1x2k s PHE 26 N 0.16 0.97 0.20 4.97 -0.71 -1.26 -4.88 117.98 117.43 1x2k s PHE 26 Ca 0.13 -1.12 0.09 0.00 -1.04 0.00 0.00 56.93 55.00 1x2k s PHE 26 Cb -0.12 -0.56 -0.04 0.00 -1.21 0.00 0.00 43.02 41.09 1x2k s PHE 26 CO 0.02 -0.36 -0.08 -1.21 -1.34 0.00 0.00 175.22 172.24 1x2k s GLU 27 N -3.97 2.08 -0.23 1.99 2.02 -1.26 -3.19 118.70 116.13 1x2k s GLU 27 Ca 0.22 -1.33 -0.39 0.00 0.02 0.00 0.00 54.97 53.49 1x2k s GLU 27 Cb 0.07 -2.13 -0.15 0.00 0.10 0.00 0.00 34.13 32.02 1x2k s GLU 27 CO 0.01 0.41 1.76 -1.91 0.02 0.00 0.00 175.26 175.56 1x2k n GLU 28 N -0.17 1.36 -1.69 1.61 2.13 -1.26 -2.42 120.64 120.21 1x2k n GLU 28 Ca -0.10 0.50 0.00 0.00 0.66 0.00 0.00 57.16 58.22 1x2k n GLU 28 Cb 0.56 -2.22 0.00 0.00 0.27 0.00 0.00 31.44 30.06 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 4.20 0.57 3.02 8.31 0.00 -0.56 -4.94 105.19 115.79 1x2k n GLY 29 Ca 0.26 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.83 2.17 0.35 1.61 1.11 -1.01 -4.93 116.67 113.14 1x2k s ASP 30 Ca 0.00 -0.36 -0.28 0.00 0.18 0.00 0.00 52.55 52.08 1x2k s ASP 30 Cb 0.00 -0.96 -0.11 0.00 1.07 0.00 0.00 42.92 42.92 1x2k s ASP 30 CO 0.00 0.00 1.39 -0.63 1.18 0.00 0.00 175.17 177.11 1x2k s ILE 31 N 0.98 2.41 0.01 0.77 -1.09 -1.26 -3.18 121.20 119.83 1x2k s ILE 31 Ca -0.08 0.42 0.01 0.00 -2.23 0.00 0.00 60.65 58.77 1x2k s ILE 31 Cb -0.15 -3.27 -0.01 0.00 -1.58 0.00 0.00 42.46 37.46 1x2k s ILE 31 CO -0.01 0.10 -0.03 -0.63 -1.23 0.00 0.00 174.94 173.14 1x2k s ILE 32 N -1.13 0.22 -0.39 2.92 1.01 -0.18 -4.54 121.20 119.11 1x2k s ILE 32 Ca 0.51 -0.41 -0.11 0.00 0.00 0.00 0.00 60.65 60.64 1x2k s ILE 32 Cb -0.43 -0.25 0.04 0.00 0.01 0.00 0.00 42.46 41.84 1x2k s ILE 32 CO 0.58 -0.13 0.23 -0.31 0.00 0.00 0.00 174.94 175.31 1x2k s TYR 33 N -0.54 3.26 -0.39 3.97 1.51 -0.94 -0.72 117.35 123.50 1x2k s TYR 33 Ca -0.04 -1.08 -0.10 0.00 -1.01 0.00 0.00 57.07 54.83 1x2k s TYR 33 Cb -0.04 -2.58 0.05 0.00 -0.11 0.00 0.00 41.96 39.28 1x2k s TYR 33 CO -0.00 -0.70 0.22 0.42 -1.11 0.00 0.00 175.55 174.38 1x2k s ILE 34 N 1.53 4.43 -0.07 2.71 -1.09 0.53 -1.81 121.20 127.43 1x2k s ILE 34 Ca 0.02 -1.07 0.09 0.00 -2.23 0.00 0.00 60.65 57.46 1x2k s ILE 34 Cb -0.20 -3.56 -0.14 0.00 -1.58 0.00 0.00 42.46 36.98 1x2k s ILE 34 CO 0.06 -0.34 0.10 0.35 -1.23 0.00 0.00 174.94 173.88 1x2k n THR 35 N 4.97 0.44 -3.77 2.92 -2.24 -1.23 -1.41 114.28 113.96 1x2k n THR 35 Ca -0.11 -0.36 -0.37 0.00 -2.27 0.00 0.00 64.05 60.94 1x2k n THR 35 Cb 0.45 -0.39 -0.13 0.00 -2.10 0.00 0.00 70.33 68.16 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 -3.86 5.09 -0.28 3.42 1.11 -1.22 -4.96 116.67 115.95 1x2k s ASP 36 Ca -0.05 -0.69 0.10 0.00 0.18 0.00 0.00 52.55 52.09 1x2k s ASP 36 Cb 0.04 -1.87 0.47 0.00 1.07 0.00 0.00 42.92 42.63 1x2k s ASP 36 CO 0.42 -0.18 1.18 0.23 1.18 0.00 0.00 175.17 177.99 1x2k n MET 37 N 4.86 3.27 0.15 8.23 2.81 -1.26 -2.64 117.12 132.53 1x2k n MET 37 Ca -0.15 -4.05 -0.00 0.00 -1.81 0.00 0.00 57.70 51.70 1x2k n MET 37 Cb 0.48 -2.15 0.25 0.00 -0.71 0.00 0.00 33.22 31.09 1x2k n MET 37 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1x2k h SER 38 N 2.25 0.05 -4.35 7.83 0.02 -1.93 -3.37 113.55 114.06 1x2k h SER 38 Ca 0.28 -0.03 -0.64 0.00 -0.84 0.00 0.00 61.79 60.56 1x2k h SER 38 Cb 1.49 -0.02 -0.41 0.00 0.14 0.00 0.00 62.40 63.60 1x2k h SER 38 CO 0.65 0.53 -0.63 -1.81 -1.14 0.00 0.00 176.83 174.43 1x2k s ASP 39 N -6.89 4.30 0.60 3.07 1.01 -1.26 -4.94 116.67 112.55 1x2k s ASP 39 Ca -0.03 -3.00 0.30 0.00 0.71 0.00 0.00 52.55 50.53 1x2k s ASP 39 Cb 0.13 -1.62 1.19 0.00 1.01 0.00 0.00 42.92 43.63 1x2k s ASP 39 CO 0.75 -0.23 1.53 0.74 0.21 0.00 0.00 175.17 178.17 1x2k h THR 40 N 5.49 0.13 0.18 -1.27 2.02 -1.97 0.87 112.91 118.35 1x2k h THR 40 Ca -0.08 0.00 -0.27 0.00 0.77 0.00 0.00 66.41 66.83 1x2k h THR 40 Cb 0.89 0.21 0.03 0.00 -1.74 0.00 0.00 68.15 67.55 1x2k h THR 40 CO 0.68 0.00 -1.16 0.78 0.37 0.00 0.00 175.52 176.19 1x2k h ASN 41 N 0.00 0.72 -3.43 4.18 4.21 -1.95 -3.40 115.58 115.91 1x2k h ASN 41 Ca 0.44 -0.90 -0.59 0.00 1.21 0.00 0.00 56.30 56.46 1x2k h ASN 41 Cb 2.42 -0.23 -0.39 0.00 -1.12 0.00 0.00 38.32 39.00 1x2k h ASN 41 CO -0.00 1.56 -0.76 0.26 -1.29 0.00 0.00 177.43 177.19 1x2k s TRP 42 N -2.67 2.13 0.56 1.19 0.52 0.30 -3.86 118.94 117.11 1x2k s TRP 42 Ca -0.11 -1.76 -0.03 0.00 0.02 0.00 0.00 56.10 54.21 1x2k s TRP 42 Cb 0.03 -1.71 0.01 0.00 -1.15 0.00 0.00 33.47 30.66 1x2k s TRP 42 CO 0.90 -0.80 0.83 -1.58 0.02 0.00 0.00 176.95 176.32 1x2k s TRP 43 N 1.48 3.18 -0.21 -1.98 0.51 -0.38 -4.09 118.94 117.45 1x2k s TRP 43 Ca 0.02 0.44 -0.00 0.00 -2.12 0.00 0.00 56.10 54.44 1x2k s TRP 43 Cb -0.18 -2.66 0.06 0.00 -0.81 0.00 0.00 33.47 29.87 1x2k s TRP 43 CO -0.13 -0.75 -0.03 0.21 -0.51 0.00 0.00 176.95 175.74 1x2k s LYS 44 N -4.87 1.38 0.35 4.98 2.36 -1.08 0.15 119.74 123.01 1x2k s LYS 44 Ca 0.53 -0.76 0.01 0.00 -2.55 0.00 0.00 55.97 53.21 1x2k s LYS 44 Cb -0.10 -2.36 -0.01 0.00 -1.05 0.00 0.00 37.83 34.32 1x2k s LYS 44 CO 0.42 -0.57 0.43 0.20 1.55 0.00 0.00 175.35 177.38 1x2k s GLY 45 N 1.55 1.82 -0.08 5.54 0.00 -1.09 -3.39 107.32 111.67 1x2k s GLY 45 Ca -0.03 -1.73 0.01 0.00 0.00 0.00 0.00 44.72 42.96 1x2k s GLY 45 CO -0.07 -1.16 -0.08 -1.59 0.00 0.00 0.00 173.10 170.21 1x2k s THR 46 N -3.08 0.90 0.00 0.90 2.01 -0.75 -2.62 115.64 113.00 1x2k s THR 46 Ca 0.34 -0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.07 1x2k s THR 46 Cb 0.00 -0.90 0.00 0.00 0.01 0.00 0.00 72.50 71.62 1x2k s THR 46 CO 0.24 0.33 0.00 -0.24 -0.69 0.00 0.00 174.62 174.25 1x2k n SER 47 N 4.45 0.00 -4.32 3.53 2.88 -1.20 -2.22 113.62 116.74 1x2k n SER 47 Ca -0.17 0.00 -0.46 0.00 -1.33 0.00 0.00 58.87 56.91 1x2k n SER 47 Cb 0.51 -0.08 -0.05 0.00 -0.75 0.00 0.00 64.21 63.84 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 3.07 -0.70 -1.46 1.02 -1.26 -4.68 119.74 115.39 1x2k s LYS 48 Ca 0.00 -1.75 -0.07 0.00 0.02 0.00 0.00 55.97 54.17 1x2k s LYS 48 Cb 0.00 -4.32 0.07 0.00 -0.52 0.00 0.00 37.83 33.06 1x2k s LYS 48 CO 0.00 -1.36 0.18 0.41 -0.92 0.00 0.00 175.35 173.66 1x2k n GLY 49 N 5.11 -0.13 3.22 -3.33 0.00 -1.26 -4.80 105.19 104.00 1x2k n GLY 49 Ca -0.10 0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.70 0.83 -0.21 1.61 0.52 -1.26 -5.15 118.95 111.58 1x2k s ARG 50 Ca 0.25 -0.80 -0.04 0.00 -0.52 0.00 0.00 55.73 54.62 1x2k s ARG 50 Cb -0.14 0.34 0.07 0.00 0.52 0.00 0.00 34.95 35.74 1x2k s ARG 50 CO 0.39 -0.26 0.10 0.99 0.02 0.00 0.00 175.30 176.54 1x2k s THR 51 N -3.37 0.01 0.10 0.02 2.01 -1.26 -3.22 115.64 109.92 1x2k s THR 51 Ca 0.01 -0.40 -0.01 0.00 0.31 0.00 0.00 61.69 61.59 1x2k s THR 51 Cb 0.02 -0.76 0.01 0.00 0.01 0.00 0.00 72.50 71.78 1x2k s THR 51 CO -0.08 -0.41 0.15 0.61 -0.69 0.00 0.00 174.62 174.19 1x2k n GLY 52 N 5.24 2.58 3.78 4.40 0.00 -1.08 -4.97 105.19 115.15 1x2k n GLY 52 Ca -0.07 -1.35 -0.36 0.00 0.00 0.00 0.00 46.02 44.24 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 4.11 -0.01 0.99 1.43 -0.93 -2.67 118.68 121.59 1x2k s LEU 53 Ca 0.07 2.05 0.01 0.00 -1.03 0.00 0.00 54.13 55.23 1x2k s LEU 53 Cb -0.01 -4.22 0.01 0.00 0.03 0.00 0.00 46.19 42.00 1x2k s LEU 53 CO 0.05 -0.54 -0.03 -0.63 0.23 0.00 0.00 176.35 175.42 1x2k s ILE 54 N -1.68 0.32 -0.07 -0.59 1.01 0.12 -0.31 121.20 120.01 1x2k s ILE 54 Ca 0.59 -0.11 -0.30 0.00 0.00 0.00 0.00 60.65 60.83 1x2k s ILE 54 Cb -0.22 -0.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.89 1x2k s ILE 54 CO 0.27 0.12 1.50 -2.16 0.00 0.00 0.00 174.94 174.68 1x2k s PRO 55 N 0.30 4.21 0.00 2.79 0.04 -1.26 -1.24 135.00 139.84 1x2k s PRO 55 Ca -0.03 2.01 0.20 0.00 0.04 0.00 0.00 61.00 63.22 1x2k s PRO 55 Cb -0.06 -3.85 1.20 0.00 0.04 0.00 0.00 34.50 31.83 1x2k s PRO 55 CO -0.00 -0.76 1.60 -1.13 0.04 0.00 0.00 177.00 176.74 1x2k n SER 56 N 6.66 0.00 -0.01 6.66 3.41 -1.25 -2.60 113.62 126.49 1x2k n SER 56 Ca 0.16 -0.60 -0.15 0.00 -0.26 0.00 0.00 58.87 58.02 1x2k n SER 56 Cb 0.43 -0.01 -0.14 0.00 -0.26 0.00 0.00 64.21 64.23 1x2k n SER 56 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1x2k n ASN 57 N -1.01 1.48 0.11 4.04 3.02 -1.26 -4.28 115.26 117.35 1x2k n ASN 57 Ca 0.15 0.32 -0.20 0.00 -0.03 0.00 0.00 54.58 54.82 1x2k n ASN 57 Cb 0.07 -0.46 -0.15 0.00 -0.61 0.00 0.00 39.78 38.64 1x2k n ASN 57 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 1x2k h TYR 58 N 0.04 0.69 -2.26 3.10 -1.99 -1.90 -3.47 116.97 111.18 1x2k h TYR 58 Ca -0.35 -0.50 -0.48 0.00 2.00 0.00 0.00 58.73 59.40 1x2k h TYR 58 Cb 2.02 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 40.71 1x2k h TYR 58 CO 0.04 1.46 -0.44 0.14 -0.00 0.00 0.00 178.16 179.36 1x2k s VAL 59 N -2.62 5.23 0.15 -2.88 -7.23 -1.13 -0.91 120.40 111.02 1x2k s VAL 59 Ca -0.09 -0.95 -0.20 0.00 -1.81 0.00 0.00 61.98 58.94 1x2k s VAL 59 Cb 0.06 -3.82 0.05 0.00 0.56 0.00 0.00 36.38 33.23 1x2k s VAL 59 CO 0.90 -0.28 0.51 0.00 -0.31 0.00 0.00 175.10 175.91 1x2k s ALA 60 N -1.94 -1.25 -0.49 1.32 0.00 -1.15 -4.73 121.76 113.52 1x2k s ALA 60 Ca 0.34 0.19 -0.32 0.00 0.00 0.00 0.00 51.96 52.17 1x2k s ALA 60 Cb -0.09 0.80 -0.12 0.00 0.00 0.00 0.00 23.12 23.71 1x2k s ALA 60 CO 0.29 -0.72 2.33 -1.91 0.00 0.00 0.00 175.76 175.75 1x2k n GLU 61 N -0.31 0.91 -1.63 0.00 2.13 -1.26 -3.18 120.64 117.29 1x2k n GLU 61 Ca -0.16 0.18 -0.53 0.00 0.66 0.00 0.00 57.16 57.31 1x2k n GLU 61 Cb 0.64 -2.55 -0.06 0.00 0.27 0.00 0.00 31.44 29.75 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 8.46 1.31 -3.65 5.31 6.02 -1.20 -4.96 117.38 128.66 1x2k n GLN 62 Ca 0.44 0.47 -0.13 0.00 -0.01 0.00 0.00 57.00 57.77 1x2k n GLN 62 Cb 0.27 -2.15 -0.06 0.00 1.02 0.00 0.00 30.24 29.32 1x2k n GLN 62 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1x2k s SER 63 N 1.46 -0.33 0.00 1.08 0.01 -1.26 -5.06 113.70 109.61 1x2k s SER 63 Ca 0.88 0.10 0.00 0.00 1.31 0.00 0.00 55.95 58.24 1x2k s SER 63 Cb -0.94 0.43 0.00 0.00 0.21 0.00 0.00 66.02 65.72 1x2k s SER 63 CO 0.51 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 174.13 1x2k n GLY 64 N 0.63 -0.75 0.28 3.44 0.00 -1.26 -4.96 105.19 102.57 1x2k n GLY 64 Ca -0.19 -0.28 0.17 0.00 0.00 0.00 0.00 46.02 45.72 1x2k n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x2k h PRO 65 N 0.00 0.00 -6.15 1.61 0.13 -2.04 -3.43 132.00 122.11 1x2k h PRO 65 Ca 0.00 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.46 1x2k h PRO 65 Cb 0.00 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 30.98 1x2k h PRO 65 CO 0.00 0.02 -0.66 0.45 -0.23 0.00 0.00 178.00 177.58 1x2k s SER 66 N -5.71 4.97 0.60 1.44 0.15 -1.26 -5.11 113.70 108.79 1x2k s SER 66 Ca 0.01 -0.01 -0.15 0.00 0.70 0.00 0.00 55.95 56.49 1x2k s SER 66 Cb 0.09 -1.28 -0.03 0.00 -1.71 0.00 0.00 66.02 63.09 1x2k s SER 66 CO 0.54 0.31 1.06 -0.55 1.20 0.00 0.00 173.24 175.80 1x2k s SER 67 N -1.31 5.72 0.00 5.45 0.15 -1.26 -5.20 113.70 117.25 1x2k s SER 67 Ca 0.17 1.81 0.00 0.00 0.70 0.00 0.00 55.95 58.63 1x2k s SER 67 Cb -0.11 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 1x2k s SER 67 CO 0.07 -1.21 0.48 0.61 1.20 0.00 0.00 173.24 174.38