#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 4.17 -0.10 1.61 0.01 -1.26 -5.08 113.70 113.05 1x2k s SER 2 Ca 0.00 -0.30 -0.12 0.00 1.31 0.00 0.00 55.95 56.84 1x2k s SER 2 Cb 0.00 -0.03 -0.05 0.00 0.21 0.00 0.00 66.02 66.16 1x2k s SER 2 CO 0.00 -1.99 0.29 -0.55 0.41 0.00 0.00 173.24 171.40 1x2k s SER 3 N -4.76 6.55 0.00 2.44 0.15 -1.26 -4.79 113.70 112.03 1x2k s SER 3 Ca 0.67 0.65 0.00 0.00 0.70 0.00 0.00 55.95 57.98 1x2k s SER 3 Cb -0.05 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 1x2k s SER 3 CO 0.46 0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.76 1x2k n GLY 4 N 2.51 -1.86 0.42 9.45 0.00 -1.26 -5.00 105.19 109.44 1x2k n GLY 4 Ca -0.15 0.65 -0.14 0.00 0.00 0.00 0.00 46.02 46.39 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 1.57 -4.54 1.61 2.88 -1.26 -5.03 113.62 108.85 1x2k n SER 5 Ca 0.00 0.10 -0.39 0.00 -1.33 0.00 0.00 58.87 57.25 1x2k n SER 5 Cb 0.00 -0.36 0.03 0.00 -0.75 0.00 0.00 64.21 63.13 1x2k n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x2k n SER 6 N -3.42 0.03 -0.13 -3.46 7.64 -1.26 -4.73 113.62 108.29 1x2k n SER 6 Ca -0.27 0.84 0.00 0.00 1.01 0.00 0.00 58.87 60.45 1x2k n SER 6 Cb 0.71 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 1x2k n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x2k n GLY 7 N 1.50 -1.61 3.87 0.23 0.00 -1.26 -4.98 105.19 102.94 1x2k n GLY 7 Ca 0.12 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 1x2k n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x2k s LYS 8 N -3.81 3.78 -0.33 1.61 3.01 -0.65 -4.89 119.74 118.46 1x2k s LYS 8 Ca 0.00 0.65 0.01 0.00 -1.01 0.00 0.00 55.97 55.61 1x2k s LYS 8 Cb 0.00 -2.25 0.08 0.00 -1.01 0.00 0.00 37.83 34.64 1x2k s LYS 8 CO 0.00 -0.22 0.03 0.08 0.51 0.00 0.00 175.35 175.75 1x2k s VAL 9 N -2.63 2.67 -0.01 3.17 1.01 -1.26 -1.11 120.40 122.24 1x2k s VAL 9 Ca 0.54 -1.85 -0.01 0.00 0.00 0.00 0.00 61.98 60.65 1x2k s VAL 9 Cb -0.10 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 1x2k s VAL 9 CO 0.36 -0.35 0.10 -0.36 0.00 0.00 0.00 175.10 174.85 1x2k s PHE 10 N 1.10 3.35 0.06 5.22 0.40 -0.14 -3.26 117.98 124.70 1x2k s PHE 10 Ca 0.01 0.25 0.03 0.00 -0.60 0.00 0.00 56.93 56.63 1x2k s PHE 10 Cb -0.20 -1.77 -0.04 0.00 0.51 0.00 0.00 43.02 41.52 1x2k s PHE 10 CO -0.05 0.58 0.02 0.50 0.70 0.00 0.00 175.22 176.98 1x2k s ARG 11 N -1.71 2.73 -0.53 0.44 6.06 -1.19 -0.94 118.95 123.82 1x2k s ARG 11 Ca 0.23 -0.71 -0.25 0.00 -2.50 0.00 0.00 55.73 52.50 1x2k s ARG 11 Cb -0.12 -2.64 0.04 0.00 0.06 0.00 0.00 34.95 32.28 1x2k s ARG 11 CO 0.14 0.58 0.97 0.00 -2.50 0.00 0.00 175.30 174.48 1x2k s ALA 12 N -1.26 3.16 0.50 6.12 0.00 -1.16 -3.01 121.76 126.11 1x2k s ALA 12 Ca 0.25 -1.07 0.19 0.00 0.00 0.00 0.00 51.96 51.33 1x2k s ALA 12 Cb -0.12 -3.75 1.31 0.00 0.00 0.00 0.00 23.12 20.57 1x2k s ALA 12 CO 0.17 -2.33 2.12 -0.07 0.00 0.00 0.00 175.76 175.64 1x2k h LEU 13 N 10.98 0.00 -7.07 0.00 3.38 -1.77 -1.11 115.31 119.72 1x2k h LEU 13 Ca -0.25 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 1x2k h LEU 13 Cb 1.07 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.70 1x2k h LEU 13 CO 1.08 0.07 0.19 -0.31 0.09 0.00 0.00 178.44 179.56 1x2k s TYR 14 N -4.77 -0.50 -0.03 1.13 1.51 -1.26 -4.78 117.35 108.66 1x2k s TYR 14 Ca -0.04 0.27 -0.30 0.00 -1.01 0.00 0.00 57.07 55.99 1x2k s TYR 14 Cb 0.16 0.54 -0.07 0.00 -0.11 0.00 0.00 41.96 42.48 1x2k s TYR 14 CO 0.65 -0.85 1.80 0.99 -1.11 0.00 0.00 175.55 177.03 1x2k s THR 15 N -3.76 3.33 0.11 -0.71 2.01 -1.26 -4.30 115.64 111.06 1x2k s THR 15 Ca 0.02 0.40 0.05 0.00 0.31 0.00 0.00 61.69 62.47 1x2k s THR 15 Cb -0.01 -3.26 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 1x2k s THR 15 CO -0.12 -0.04 -0.01 0.12 -0.69 0.00 0.00 174.62 173.87 1x2k s PHE 16 N 4.41 2.94 -0.19 4.92 5.36 -1.01 -4.89 117.98 129.53 1x2k s PHE 16 Ca 0.81 -0.06 0.01 0.00 -0.96 0.00 0.00 56.93 56.73 1x2k s PHE 16 Cb -0.37 -1.50 0.03 0.00 -0.34 0.00 0.00 43.02 40.85 1x2k s PHE 16 CO 0.35 0.48 -0.13 -1.21 -1.46 0.00 0.00 175.22 173.25 1x2k s GLU 17 N -2.42 2.25 -0.26 10.12 2.02 -1.26 -3.74 118.70 125.41 1x2k s GLU 17 Ca 0.26 -0.79 -0.29 0.00 0.02 0.00 0.00 54.97 54.17 1x2k s GLU 17 Cb -0.11 -2.37 -0.02 0.00 0.10 0.00 0.00 34.13 31.72 1x2k s GLU 17 CO 0.18 -0.35 1.64 -1.25 0.02 0.00 0.00 175.26 175.50 1x2k s PRO 18 N 1.39 3.67 0.34 0.39 0.04 -1.26 -4.88 135.00 134.69 1x2k s PRO 18 Ca 0.01 1.54 0.13 0.00 0.04 0.00 0.00 61.00 62.73 1x2k s PRO 18 Cb -0.15 -4.07 0.61 0.00 0.04 0.00 0.00 34.50 30.93 1x2k s PRO 18 CO -0.09 -1.44 1.74 0.00 0.04 0.00 0.00 177.00 177.24 1x2k h ARG 19 N 11.20 0.00 -6.14 4.56 -0.00 -1.96 -3.44 114.38 118.60 1x2k h ARG 19 Ca -0.33 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 -0.09 0.00 0.00 0.00 0.00 29.97 31.03 1x2k h ARG 19 CO 1.02 0.46 -0.60 0.95 0.00 0.00 0.00 179.97 181.79 1x2k s THR 20 N -3.87 4.57 -1.96 2.04 -4.23 -1.26 -4.99 115.64 105.94 1x2k s THR 20 Ca -0.02 -0.68 0.16 0.00 -1.18 0.00 0.00 61.69 59.97 1x2k s THR 20 Cb 0.13 -3.17 0.43 0.00 1.34 0.00 0.00 72.50 71.23 1x2k s THR 20 CO 0.73 0.18 1.35 -0.81 -0.54 0.00 0.00 174.62 175.53 1x2k n PRO 21 N 0.65 0.47 0.00 3.99 -0.04 -1.26 -1.79 135.00 137.01 1x2k n PRO 21 Ca -0.10 0.01 0.09 0.00 -0.04 0.00 0.00 63.50 63.47 1x2k n PRO 21 Cb 0.52 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.02 1.51 -4.96 3.54 8.00 -1.26 -4.97 116.55 117.39 1x2k n ASP 22 Ca 0.11 -1.26 -0.23 0.00 0.71 0.00 0.00 54.79 54.13 1x2k n ASP 22 Cb 0.06 0.67 0.03 0.00 -0.02 0.00 0.00 41.12 41.86 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 -2.44 2.71 -0.10 -1.24 2.02 -0.74 -1.99 118.70 116.92 1x2k s GLU 23 Ca 0.13 -0.57 -0.02 0.00 0.02 0.00 0.00 54.97 54.53 1x2k s GLU 23 Cb 0.15 -2.46 -0.03 0.00 0.10 0.00 0.00 34.13 31.89 1x2k s GLU 23 CO 0.60 -0.62 0.00 -1.17 0.02 0.00 0.00 175.26 174.09 1x2k s LEU 24 N -4.76 3.56 -0.20 1.80 2.96 0.94 -4.58 118.68 118.39 1x2k s LEU 24 Ca 0.54 0.12 -0.09 0.00 -0.22 0.00 0.00 54.13 54.48 1x2k s LEU 24 Cb -0.10 -1.82 -0.05 0.00 0.50 0.00 0.00 46.19 44.72 1x2k s LEU 24 CO 0.39 0.35 0.11 -0.47 -1.32 0.00 0.00 176.35 175.42 1x2k s TYR 25 N -0.72 3.37 0.06 5.38 5.04 -1.26 -4.45 117.35 124.75 1x2k s TYR 25 Ca 0.11 0.26 -0.00 0.00 -2.44 0.00 0.00 57.07 55.00 1x2k s TYR 25 Cb -0.12 -2.15 -0.04 0.00 0.35 0.00 0.00 41.96 40.01 1x2k s TYR 25 CO 0.02 0.24 -0.04 -0.59 -1.34 0.00 0.00 175.55 173.85 1x2k s PHE 26 N 0.40 0.58 0.29 4.97 -0.71 -1.25 -4.86 117.98 117.40 1x2k s PHE 26 Ca 0.07 -0.98 0.07 0.00 -1.04 0.00 0.00 56.93 55.05 1x2k s PHE 26 Cb -0.11 -0.40 -0.03 0.00 -1.21 0.00 0.00 43.02 41.26 1x2k s PHE 26 CO -0.01 -0.31 0.22 -1.21 -1.34 0.00 0.00 175.22 172.57 1x2k s GLU 27 N -3.66 2.79 -0.18 1.99 2.02 -1.26 -2.40 118.70 118.00 1x2k s GLU 27 Ca 0.06 -1.19 -0.32 0.00 0.02 0.00 0.00 54.97 53.54 1x2k s GLU 27 Cb 0.06 -2.49 -0.09 0.00 0.10 0.00 0.00 34.13 31.70 1x2k s GLU 27 CO -0.08 0.27 2.07 -1.91 0.02 0.00 0.00 175.26 175.63 1x2k n GLU 28 N -1.24 1.92 -0.88 1.61 2.13 -1.26 -2.76 120.64 120.15 1x2k n GLU 28 Ca -0.05 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.39 1x2k n GLU 28 Cb 0.59 -2.82 0.00 0.00 0.27 0.00 0.00 31.44 29.48 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 5.34 0.60 2.96 8.31 0.00 -0.42 -4.90 105.19 117.08 1x2k n GLY 29 Ca 0.29 -0.33 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.10 1.71 0.41 1.61 1.11 -1.11 -4.92 116.67 113.37 1x2k s ASP 30 Ca 0.00 -0.26 -0.26 0.00 0.18 0.00 0.00 52.55 52.21 1x2k s ASP 30 Cb 0.00 -0.75 -0.09 0.00 1.07 0.00 0.00 42.92 43.16 1x2k s ASP 30 CO 0.00 -0.03 1.34 -0.63 1.18 0.00 0.00 175.17 177.04 1x2k s ILE 31 N 1.00 2.46 -0.01 0.77 -1.09 -1.26 -3.00 121.20 120.08 1x2k s ILE 31 Ca -0.09 0.41 0.00 0.00 -2.23 0.00 0.00 60.65 58.75 1x2k s ILE 31 Cb -0.15 -3.24 0.01 0.00 -1.58 0.00 0.00 42.46 37.49 1x2k s ILE 31 CO -0.00 0.06 -0.00 -0.63 -1.23 0.00 0.00 174.94 173.14 1x2k s ILE 32 N -1.24 0.06 -0.44 2.92 1.01 -0.11 -4.61 121.20 118.80 1x2k s ILE 32 Ca 0.57 0.00 -0.16 0.00 0.00 0.00 0.00 60.65 61.06 1x2k s ILE 32 Cb -0.40 -0.09 0.04 0.00 0.01 0.00 0.00 42.46 42.02 1x2k s ILE 32 CO 0.52 0.04 0.40 -0.31 0.00 0.00 0.00 174.94 175.59 1x2k s TYR 33 N 0.20 3.20 -0.42 3.97 1.51 -0.98 -0.97 117.35 123.85 1x2k s TYR 33 Ca -0.02 -0.57 -0.10 0.00 -1.01 0.00 0.00 57.07 55.37 1x2k s TYR 33 Cb -0.03 -2.91 0.07 0.00 -0.11 0.00 0.00 41.96 38.98 1x2k s TYR 33 CO -0.01 -0.72 0.26 0.42 -1.11 0.00 0.00 175.55 174.40 1x2k s ILE 34 N 1.94 4.32 -0.18 2.71 -1.09 -0.27 -1.80 121.20 126.83 1x2k s ILE 34 Ca 0.08 -1.32 0.00 0.00 -2.23 0.00 0.00 60.65 57.19 1x2k s ILE 34 Cb -0.19 -3.61 -0.11 0.00 -1.58 0.00 0.00 42.46 36.96 1x2k s ILE 34 CO 0.11 -0.48 -0.17 0.35 -1.23 0.00 0.00 174.94 173.53 1x2k n THR 35 N 4.94 1.02 -3.94 2.92 -2.24 -1.23 -1.64 114.28 114.10 1x2k n THR 35 Ca -0.10 -0.37 -0.35 0.00 -2.27 0.00 0.00 64.05 60.95 1x2k n THR 35 Cb 0.43 -1.19 -0.10 0.00 -2.10 0.00 0.00 70.33 67.37 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 -5.82 5.55 -0.29 3.42 1.01 -1.21 -4.95 116.67 114.38 1x2k s ASP 36 Ca -0.24 0.02 0.13 0.00 0.71 0.00 0.00 52.55 53.16 1x2k s ASP 36 Cb 0.07 -1.96 0.48 0.00 1.01 0.00 0.00 42.92 42.51 1x2k s ASP 36 CO 0.40 0.12 1.15 0.23 0.21 0.00 0.00 175.17 177.27 1x2k n MET 37 N 3.91 2.84 -0.34 8.23 2.81 -1.26 -1.97 117.12 131.33 1x2k n MET 37 Ca -0.16 -3.92 0.13 0.00 -1.81 0.00 0.00 57.70 51.94 1x2k n MET 37 Cb 0.52 -2.00 0.32 0.00 -0.71 0.00 0.00 33.22 31.36 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 2.39 0.68 -3.25 7.83 0.87 -1.94 -3.36 113.55 116.77 1x2k h SER 38 Ca 0.17 0.11 -0.67 0.00 -1.23 0.00 0.00 61.79 60.17 1x2k h SER 38 Cb 1.39 -0.00 -0.35 0.00 -0.44 0.00 0.00 62.40 63.00 1x2k h SER 38 CO 0.55 0.20 -0.83 -1.81 -0.53 0.00 0.00 176.83 174.41 1x2k s ASP 39 N -5.34 3.52 0.53 6.23 1.01 -1.24 -4.99 116.67 116.39 1x2k s ASP 39 Ca -0.11 -0.78 0.21 0.00 0.71 0.00 0.00 52.55 52.58 1x2k s ASP 39 Cb 0.25 -1.52 1.34 0.00 1.01 0.00 0.00 42.92 44.00 1x2k s ASP 39 CO 0.80 -0.04 2.07 0.74 0.21 0.00 0.00 175.17 178.95 1x2k h THR 40 N 6.08 0.86 0.11 -1.27 2.02 -2.00 -1.88 112.91 116.83 1x2k h THR 40 Ca -0.40 0.00 -0.24 0.00 0.77 0.00 0.00 66.41 66.54 1x2k h THR 40 Cb 1.12 0.87 0.02 0.00 -1.74 0.00 0.00 68.15 68.42 1x2k h THR 40 CO 0.60 0.00 -0.99 0.78 0.37 0.00 0.00 175.52 176.28 1x2k h ASN 41 N 0.00 0.68 -3.49 4.18 4.21 -1.94 -3.39 115.58 115.83 1x2k h ASN 41 Ca 0.12 -0.86 -0.65 0.00 1.21 0.00 0.00 56.30 56.13 1x2k h ASN 41 Cb 0.50 -0.22 -0.36 0.00 -1.12 0.00 0.00 38.32 37.12 1x2k h ASN 41 CO -0.00 1.47 -0.82 0.26 -1.29 0.00 0.00 177.43 177.05 1x2k s TRP 42 N -2.84 2.80 0.16 1.19 0.52 -0.71 -3.32 118.94 116.75 1x2k s TRP 42 Ca -0.11 -1.86 0.03 0.00 0.02 0.00 0.00 56.10 54.18 1x2k s TRP 42 Cb 0.04 -1.81 -0.04 0.00 -1.15 0.00 0.00 33.47 30.51 1x2k s TRP 42 CO 0.88 -0.81 0.26 -1.58 0.02 0.00 0.00 176.95 175.73 1x2k s TRP 43 N 1.27 3.42 -0.32 -1.98 0.51 -0.11 -3.61 118.94 118.11 1x2k s TRP 43 Ca -0.02 0.08 -0.05 0.00 -2.12 0.00 0.00 56.10 53.99 1x2k s TRP 43 Cb -0.17 -1.63 0.04 0.00 -0.81 0.00 0.00 33.47 30.90 1x2k s TRP 43 CO -0.08 0.51 0.07 0.21 -0.51 0.00 0.00 176.95 177.14 1x2k s LYS 44 N -3.28 2.61 0.29 4.98 2.20 -0.83 0.72 119.74 126.41 1x2k s LYS 44 Ca 0.34 -1.17 -0.04 0.00 -0.36 0.00 0.00 55.97 54.73 1x2k s LYS 44 Cb -0.11 -3.36 -0.01 0.00 -1.51 0.00 0.00 37.83 32.85 1x2k s LYS 44 CO 0.28 -0.63 0.39 0.20 -0.36 0.00 0.00 175.35 175.23 1x2k s GLY 45 N 1.36 1.30 -0.13 5.54 0.00 -1.08 -3.33 107.32 110.98 1x2k s GLY 45 Ca -0.02 -1.43 0.01 0.00 0.00 0.00 0.00 44.72 43.27 1x2k s GLY 45 CO 0.01 -1.02 -0.13 -1.59 0.00 0.00 0.00 173.10 170.37 1x2k s THR 46 N -3.57 1.44 0.00 0.90 2.01 -0.74 -2.37 115.64 113.31 1x2k s THR 46 Ca 0.31 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 61.74 1x2k s THR 46 Cb 0.01 -1.35 0.00 0.00 0.01 0.00 0.00 72.50 71.17 1x2k s THR 46 CO 0.16 0.43 0.00 -0.24 -0.69 0.00 0.00 174.62 174.29 1x2k n SER 47 N 4.60 0.00 -4.32 3.53 2.88 -1.18 -2.33 113.62 116.80 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 0.50 -0.10 -0.05 0.00 -0.75 0.00 0.00 64.21 63.82 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 -0.31 3.09 -0.81 -1.46 2.47 -1.26 -4.68 119.74 116.78 1x2k s LYS 48 Ca 0.00 -1.78 -0.10 0.00 -1.56 0.00 0.00 55.97 52.53 1x2k s LYS 48 Cb 0.00 -4.32 0.10 0.00 -1.46 0.00 0.00 37.83 32.15 1x2k s LYS 48 CO 0.00 -1.35 0.25 0.41 0.16 0.00 0.00 175.35 174.82 1x2k n GLY 49 N 5.07 -0.17 3.34 5.54 0.00 -1.26 -4.79 105.19 112.93 1x2k n GLY 49 Ca -0.09 0.03 -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 -3.76 1.14 -0.20 1.61 0.52 -1.26 -5.15 118.95 111.84 1x2k s ARG 50 Ca 0.34 -1.07 -0.05 0.00 -0.52 0.00 0.00 55.73 54.43 1x2k s ARG 50 Cb -0.20 0.40 0.07 0.00 0.52 0.00 0.00 34.95 35.74 1x2k s ARG 50 CO 0.44 -0.42 0.12 0.99 0.02 0.00 0.00 175.30 176.45 1x2k s THR 51 N -3.93 -0.12 0.10 0.02 2.01 -1.26 -3.11 115.64 109.34 1x2k s THR 51 Ca 0.13 -0.28 -0.01 0.00 0.31 0.00 0.00 61.69 61.84 1x2k s THR 51 Cb 0.03 -0.68 0.00 0.00 0.01 0.00 0.00 72.50 71.86 1x2k s THR 51 CO -0.03 -0.37 0.14 0.61 -0.69 0.00 0.00 174.62 174.29 1x2k n GLY 52 N 5.28 2.78 3.78 4.40 0.00 -1.00 -4.98 105.19 115.45 1x2k n GLY 52 Ca -0.06 -1.42 -0.37 0.00 0.00 0.00 0.00 46.02 44.17 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 4.12 -0.02 0.99 1.43 -0.84 -2.63 118.68 121.73 1x2k s LEU 53 Ca 0.08 2.10 0.01 0.00 -1.03 0.00 0.00 54.13 55.29 1x2k s LEU 53 Cb -0.00 -4.18 0.01 0.00 0.03 0.00 0.00 46.19 42.05 1x2k s LEU 53 CO 0.06 -0.58 -0.03 -0.63 0.23 0.00 0.00 176.35 175.40 1x2k s ILE 54 N -1.62 0.34 -0.12 -0.59 1.01 0.22 -0.04 121.20 120.39 1x2k s ILE 54 Ca 0.59 -0.08 -0.29 0.00 0.00 0.00 0.00 60.65 60.87 1x2k s ILE 54 Cb -0.24 -0.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.84 1x2k s ILE 54 CO 0.29 0.15 1.54 -2.16 0.00 0.00 0.00 174.94 174.76 1x2k s PRO 55 N 0.54 4.11 0.00 2.79 0.04 -1.26 -0.94 135.00 140.29 1x2k s PRO 55 Ca -0.06 1.94 0.17 0.00 0.04 0.00 0.00 61.00 63.10 1x2k s PRO 55 Cb -0.09 -3.94 0.87 0.00 0.04 0.00 0.00 34.50 31.38 1x2k s PRO 55 CO -0.01 -0.90 1.52 0.45 0.04 0.00 0.00 177.00 178.10 1x2k n SER 56 N 7.27 0.00 0.10 6.66 2.88 -1.21 -2.23 113.62 127.08 1x2k n SER 56 Ca 0.17 0.06 0.03 0.00 -1.33 0.00 0.00 58.87 57.80 1x2k n SER 56 Cb 0.44 -0.30 -0.01 0.00 -0.75 0.00 0.00 64.21 63.59 1x2k n SER 56 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1x2k h ASN 57 N 0.00 0.00 0.11 -3.46 4.21 -1.88 -3.36 115.58 111.20 1x2k h ASN 57 Ca 0.00 0.00 -0.35 0.00 1.21 0.00 0.00 56.30 57.16 1x2k h ASN 57 Cb 0.17 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.35 1x2k h ASN 57 CO 0.00 0.43 -1.95 -1.22 -1.29 0.00 0.00 177.43 173.40 1x2k n TYR 58 N -3.01 1.20 -3.60 1.19 4.02 -0.95 -4.95 117.16 111.07 1x2k n TYR 58 Ca -0.03 0.27 -0.22 0.00 -0.01 0.00 0.00 57.90 57.92 1x2k n TYR 58 Cb 0.74 -1.15 -0.01 0.00 -0.02 0.00 0.00 39.34 38.89 1x2k n TYR 58 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1x2k s VAL 59 N -2.54 5.01 0.05 -0.72 -7.23 -1.13 -2.05 120.40 111.79 1x2k s VAL 59 Ca -0.23 -0.72 -0.13 0.00 -1.81 0.00 0.00 61.98 59.09 1x2k s VAL 59 Cb 0.07 -3.80 0.02 0.00 0.56 0.00 0.00 36.38 33.22 1x2k s VAL 59 CO 0.75 -0.42 0.29 0.00 -0.31 0.00 0.00 175.10 175.40 1x2k s ALA 60 N -2.19 -0.62 -0.46 1.32 0.00 -1.16 -4.75 121.76 113.90 1x2k s ALA 60 Ca 0.38 -0.06 -0.28 0.00 0.00 0.00 0.00 51.96 52.00 1x2k s ALA 60 Cb -0.09 0.33 -0.09 0.00 0.00 0.00 0.00 23.12 23.27 1x2k s ALA 60 CO 0.33 -0.41 2.37 -1.91 0.00 0.00 0.00 175.76 176.14 1x2k n GLU 61 N 0.56 1.16 -1.58 0.00 2.13 -1.26 -3.16 120.64 118.49 1x2k n GLU 61 Ca -0.18 0.17 -0.51 0.00 0.66 0.00 0.00 57.16 57.29 1x2k n GLU 61 Cb 0.59 -3.06 -0.05 0.00 0.27 0.00 0.00 31.44 29.19 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 8.78 1.11 -3.53 5.31 1.13 -1.20 -4.93 117.38 124.05 1x2k n GLN 62 Ca 0.39 0.40 -0.38 0.00 -1.94 0.00 0.00 57.00 55.47 1x2k n GLN 62 Cb 0.42 -1.98 -0.10 0.00 0.11 0.00 0.00 30.24 28.70 1x2k n GLN 62 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1x2k s SER 63 N 0.29 6.17 0.06 1.08 0.15 -1.26 -5.04 113.70 115.15 1x2k s SER 63 Ca 0.81 0.18 0.04 0.00 0.70 0.00 0.00 55.95 57.67 1x2k s SER 63 Cb -0.93 -2.16 -0.04 0.00 -1.71 0.00 0.00 66.02 61.19 1x2k s SER 63 CO 0.49 -0.06 -0.01 -0.83 1.20 0.00 0.00 173.24 174.03 1x2k s GLY 64 N 1.42 1.89 0.55 9.45 0.00 -1.26 -5.01 107.32 114.36 1x2k s GLY 64 Ca 0.11 -1.06 0.34 0.00 0.00 0.00 0.00 44.72 44.10 1x2k s GLY 64 CO 0.08 -1.00 2.00 -0.56 0.00 0.00 0.00 173.10 173.62 1x2k h PRO 65 N 3.80 0.00 -7.13 2.90 0.13 -2.06 -3.44 132.00 126.20 1x2k h PRO 65 Ca -0.48 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.19 1x2k h PRO 65 Cb 1.17 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.36 1x2k h PRO 65 CO 0.58 0.01 0.15 -1.12 -0.23 0.00 0.00 178.00 177.40 1x2k s SER 66 N -5.70 5.25 1.05 1.44 0.01 -1.26 -5.06 113.70 109.43 1x2k s SER 66 Ca 0.01 0.48 -0.12 0.00 1.31 0.00 0.00 55.95 57.63 1x2k s SER 66 Cb 0.09 -1.34 0.22 0.00 0.21 0.00 0.00 66.02 65.21 1x2k s SER 66 CO 0.54 -1.27 1.08 -0.44 0.41 0.00 0.00 173.24 173.56 1x2k s SER 67 N -4.40 1.91 0.00 2.44 0.01 -1.26 -5.18 113.70 107.22 1x2k s SER 67 Ca 0.57 1.74 0.28 0.00 1.31 0.00 0.00 55.95 59.84 1x2k s SER 67 Cb -0.11 -2.38 0.99 0.00 0.21 0.00 0.00 66.02 64.73 1x2k s SER 67 CO 0.44 -3.66 1.71 0.61 0.41 0.00 0.00 173.24 172.75