#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 -0.36 -0.94 1.61 0.15 -1.26 -5.10 113.70 107.80 1x2k s SER 2 Ca 0.00 0.34 -0.13 0.00 0.70 0.00 0.00 55.95 56.86 1x2k s SER 2 Cb 0.00 0.31 0.22 0.00 -1.71 0.00 0.00 66.02 64.83 1x2k s SER 2 CO 0.00 -0.37 0.95 -0.44 1.20 0.00 0.00 173.24 174.58 1x2k s SER 3 N -1.29 6.91 0.00 5.45 0.01 -1.26 -4.94 113.70 118.57 1x2k s SER 3 Ca -0.01 -2.85 0.00 0.00 1.31 0.00 0.00 55.95 54.40 1x2k s SER 3 Cb -0.01 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.97 1x2k s SER 3 CO 0.00 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 173.68 1x2k n GLY 4 N 3.88 -0.71 0.05 3.44 0.00 -1.26 -4.89 105.19 105.70 1x2k n GLY 4 Ca 0.19 -1.65 -0.01 0.00 0.00 0.00 0.00 46.02 44.55 1x2k n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x2k h SER 5 N 0.00 0.00 -1.81 1.61 0.87 -2.05 -3.47 113.55 108.70 1x2k h SER 5 Ca 0.00 0.00 -0.62 0.00 -1.23 0.00 0.00 61.79 59.94 1x2k h SER 5 Cb 0.00 0.00 0.15 0.00 -0.44 0.00 0.00 62.40 62.11 1x2k h SER 5 CO 0.00 0.46 -0.72 -1.20 -0.53 0.00 0.00 176.83 174.84 1x2k n SER 6 N -4.30 -2.02 0.00 6.23 7.64 -1.26 -4.97 113.62 114.94 1x2k n SER 6 Ca -0.01 0.88 0.00 0.00 1.01 0.00 0.00 58.87 60.75 1x2k n SER 6 Cb 0.05 -0.97 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 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 2.12 1.90 3.86 0.23 0.00 -1.26 -4.91 105.19 107.13 1x2k n GLY 7 Ca 0.12 0.27 -0.31 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 3.83 -0.30 1.61 3.01 -0.96 -4.91 119.74 122.02 1x2k s LYS 8 Ca 0.00 0.65 -0.00 0.00 -1.01 0.00 0.00 55.97 55.61 1x2k s LYS 8 Cb 0.00 -2.28 0.06 0.00 -1.01 0.00 0.00 37.83 34.59 1x2k s LYS 8 CO 0.00 -0.15 -0.01 0.08 0.51 0.00 0.00 175.35 175.78 1x2k s VAL 9 N -2.51 2.76 -0.04 3.17 1.01 -1.26 -1.22 120.40 122.32 1x2k s VAL 9 Ca 0.54 -1.54 0.01 0.00 0.00 0.00 0.00 61.98 61.00 1x2k s VAL 9 Cb -0.10 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1x2k s VAL 9 CO 0.33 -0.14 -0.05 -0.36 0.00 0.00 0.00 175.10 174.88 1x2k s PHE 10 N 1.19 2.98 0.02 5.22 0.40 -0.35 -3.32 117.98 124.11 1x2k s PHE 10 Ca -0.05 0.04 0.01 0.00 -0.60 0.00 0.00 56.93 56.33 1x2k s PHE 10 Cb -0.20 -1.68 -0.04 0.00 0.51 0.00 0.00 43.02 41.61 1x2k s PHE 10 CO -0.03 0.39 0.08 0.50 0.70 0.00 0.00 175.22 176.86 1x2k s ARG 11 N -1.15 3.01 -0.58 0.44 3.52 -1.23 -0.79 118.95 122.17 1x2k s ARG 11 Ca 0.15 -0.54 -0.25 0.00 -0.13 0.00 0.00 55.73 54.96 1x2k s ARG 11 Cb -0.11 -2.82 0.04 0.00 -1.56 0.00 0.00 34.95 30.50 1x2k s ARG 11 CO 0.05 0.63 1.03 0.00 -0.81 0.00 0.00 175.30 176.19 1x2k s ALA 12 N -1.24 3.09 0.50 6.12 0.00 -1.04 -3.05 121.76 126.14 1x2k s ALA 12 Ca 0.24 -1.19 0.18 0.00 0.00 0.00 0.00 51.96 51.19 1x2k s ALA 12 Cb -0.12 -3.85 1.23 0.00 0.00 0.00 0.00 23.12 20.37 1x2k s ALA 12 CO 0.16 -2.54 2.07 -0.07 0.00 0.00 0.00 175.76 175.37 1x2k h LEU 13 N 11.37 0.11 -7.36 0.00 3.38 -1.72 0.86 115.31 121.95 1x2k h LEU 13 Ca -0.26 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1x2k h LEU 13 Cb 1.07 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.68 1x2k h LEU 13 CO 1.13 0.07 0.11 -0.31 0.09 0.00 0.00 178.44 179.53 1x2k s TYR 14 N -5.15 -0.33 0.15 1.13 1.51 -1.26 -4.68 117.35 108.72 1x2k s TYR 14 Ca -0.06 0.03 -0.31 0.00 -1.01 0.00 0.00 57.07 55.72 1x2k s TYR 14 Cb 0.18 0.47 -0.10 0.00 -0.11 0.00 0.00 41.96 42.41 1x2k s TYR 14 CO 0.71 -0.88 1.65 0.99 -1.11 0.00 0.00 175.55 176.91 1x2k s THR 15 N -3.81 2.59 -0.11 -0.71 2.01 -1.26 -4.26 115.64 110.09 1x2k s THR 15 Ca 0.05 0.32 -0.02 0.00 0.31 0.00 0.00 61.69 62.35 1x2k s THR 15 Cb -0.01 -3.21 -0.03 0.00 0.01 0.00 0.00 72.50 69.26 1x2k s THR 15 CO -0.08 0.02 -0.02 0.12 -0.69 0.00 0.00 174.62 173.97 1x2k s PHE 16 N 1.69 3.08 -0.54 4.92 5.36 -0.84 -4.91 117.98 126.75 1x2k s PHE 16 Ca 0.73 0.02 -0.05 0.00 -0.96 0.00 0.00 56.93 56.68 1x2k s PHE 16 Cb -0.44 -1.83 0.14 0.00 -0.34 0.00 0.00 43.02 40.55 1x2k s PHE 16 CO 0.32 0.29 0.37 -1.21 -1.46 0.00 0.00 175.22 173.54 1x2k s GLU 17 N -0.47 2.45 -0.21 10.12 2.02 -1.26 -3.88 118.70 127.48 1x2k s GLU 17 Ca 0.08 -2.16 -0.29 0.00 0.02 0.00 0.00 54.97 52.62 1x2k s GLU 17 Cb -0.12 -3.78 -0.03 0.00 0.10 0.00 0.00 34.13 30.30 1x2k s GLU 17 CO 0.02 -1.16 1.60 -1.25 0.02 0.00 0.00 175.26 174.50 1x2k s PRO 18 N 0.61 3.83 0.33 0.39 0.04 -1.26 -4.88 135.00 134.06 1x2k s PRO 18 Ca 0.12 1.69 0.17 0.00 0.04 0.00 0.00 61.00 63.02 1x2k s PRO 18 Cb -0.21 -4.02 0.37 0.00 0.04 0.00 0.00 34.50 30.67 1x2k s PRO 18 CO -0.03 -1.25 1.58 0.00 0.04 0.00 0.00 177.00 177.34 1x2k h ARG 19 N 10.56 0.00 -5.96 4.56 -0.00 -1.97 -3.45 114.38 118.12 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 1.00 0.43 -0.53 0.95 0.00 0.00 0.00 179.97 181.81 1x2k s THR 20 N -3.24 5.10 -1.31 2.04 -4.23 -1.26 -4.99 115.64 107.74 1x2k s THR 20 Ca 0.02 -0.42 0.15 0.00 -1.18 0.00 0.00 61.69 60.26 1x2k s THR 20 Cb 0.09 -3.43 0.22 0.00 1.34 0.00 0.00 72.50 70.72 1x2k s THR 20 CO 0.71 0.22 1.42 -0.81 -0.54 0.00 0.00 174.62 175.62 1x2k n PRO 21 N 0.65 0.15 0.04 3.99 -0.04 -1.26 -2.26 135.00 136.28 1x2k n PRO 21 Ca -0.09 0.18 -0.01 0.00 -0.04 0.00 0.00 63.50 63.54 1x2k n PRO 21 Cb 0.52 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.40 1x2k n PRO 21 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1x2k h ASP 22 N 0.00 0.00 -4.36 3.54 3.58 -1.96 -3.47 116.42 113.75 1x2k h ASP 22 Ca 0.00 0.00 -0.51 0.00 0.42 0.00 0.00 57.03 56.94 1x2k h ASP 22 Cb 0.17 0.00 0.07 0.00 1.72 0.00 0.00 39.33 41.29 1x2k h ASP 22 CO 0.00 0.65 0.41 -1.61 -2.88 0.00 0.00 179.24 175.81 1x2k s GLU 23 N -2.87 3.42 -0.12 0.28 2.02 -0.96 -0.26 118.70 120.21 1x2k s GLU 23 Ca -0.02 0.79 -0.05 0.00 0.02 0.00 0.00 54.97 55.71 1x2k s GLU 23 Cb 0.08 -2.06 -0.04 0.00 0.10 0.00 0.00 34.13 32.22 1x2k s GLU 23 CO 0.80 -0.71 0.05 -1.17 0.02 0.00 0.00 175.26 174.26 1x2k s LEU 24 N -5.27 3.84 -0.21 1.80 2.96 0.12 -4.58 118.68 117.33 1x2k s LEU 24 Ca 0.56 0.20 -0.16 0.00 -0.22 0.00 0.00 54.13 54.52 1x2k s LEU 24 Cb -0.12 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 1x2k s LEU 24 CO 0.54 0.33 0.38 -0.47 -1.32 0.00 0.00 176.35 175.81 1x2k s TYR 25 N -0.56 3.37 0.10 5.38 6.14 -1.26 -4.65 117.35 125.87 1x2k s TYR 25 Ca 0.10 0.59 0.01 0.00 0.64 0.00 0.00 57.07 58.41 1x2k s TYR 25 Cb -0.12 -2.51 -0.04 0.00 0.42 0.00 0.00 41.96 39.71 1x2k s TYR 25 CO 0.02 -0.01 -0.03 -0.59 0.64 0.00 0.00 175.55 175.58 1x2k s PHE 26 N 1.31 0.84 0.28 4.97 -0.71 -1.25 -4.91 117.98 118.51 1x2k s PHE 26 Ca 0.18 -1.01 0.09 0.00 -1.04 0.00 0.00 56.93 55.14 1x2k s PHE 26 Cb -0.15 -0.51 -0.04 0.00 -1.21 0.00 0.00 43.02 41.12 1x2k s PHE 26 CO 0.08 -0.27 0.08 -1.21 -1.34 0.00 0.00 175.22 172.56 1x2k s GLU 27 N -3.90 2.49 0.02 1.99 2.02 -1.26 -1.98 118.70 118.08 1x2k s GLU 27 Ca 0.14 -1.33 -0.34 0.00 0.02 0.00 0.00 54.97 53.46 1x2k s GLU 27 Cb 0.06 -2.28 -0.13 0.00 0.10 0.00 0.00 34.13 31.88 1x2k s GLU 27 CO -0.04 0.33 1.76 -1.91 0.02 0.00 0.00 175.26 175.42 1x2k n GLU 28 N -1.03 2.18 -1.71 1.61 2.13 -1.26 -2.83 120.64 119.73 1x2k n GLU 28 Ca -0.06 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.55 1x2k n GLU 28 Cb 0.59 -2.61 0.00 0.00 0.27 0.00 0.00 31.44 29.69 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 4.00 0.48 3.06 8.31 0.00 0.30 -4.92 105.19 116.41 1x2k n GLY 29 Ca 0.20 -0.41 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.74 1.97 0.16 1.61 1.11 -1.13 -4.92 116.67 112.72 1x2k s ASP 30 Ca 0.00 -0.34 -0.30 0.00 0.18 0.00 0.00 52.55 52.09 1x2k s ASP 30 Cb 0.00 -0.89 -0.08 0.00 1.07 0.00 0.00 42.92 43.02 1x2k s ASP 30 CO 0.00 0.06 1.25 -0.63 1.18 0.00 0.00 175.17 177.03 1x2k s ILE 31 N 0.59 3.50 0.05 0.77 -1.09 -1.26 -2.50 121.20 121.26 1x2k s ILE 31 Ca -0.15 1.20 0.04 0.00 -2.23 0.00 0.00 60.65 59.52 1x2k s ILE 31 Cb -0.16 -3.77 -0.02 0.00 -1.58 0.00 0.00 42.46 36.93 1x2k s ILE 31 CO 0.04 0.16 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.16 1x2k s ILE 32 N 0.29 0.97 -0.35 2.92 1.01 0.03 -4.63 121.20 121.44 1x2k s ILE 32 Ca 0.56 -1.07 -0.09 0.00 0.00 0.00 0.00 60.65 60.06 1x2k s ILE 32 Cb -0.34 -0.92 0.03 0.00 0.01 0.00 0.00 42.46 41.24 1x2k s ILE 32 CO 0.35 -0.13 0.15 -0.31 0.00 0.00 0.00 174.94 175.00 1x2k s TYR 33 N -1.04 3.23 -0.43 3.97 1.51 -0.87 -1.21 117.35 122.51 1x2k s TYR 33 Ca -0.02 -1.12 -0.06 0.00 -1.01 0.00 0.00 57.07 54.86 1x2k s TYR 33 Cb -0.09 -2.35 0.11 0.00 -0.11 0.00 0.00 41.96 39.52 1x2k s TYR 33 CO 0.01 -0.66 0.26 0.42 -1.11 0.00 0.00 175.55 174.48 1x2k s ILE 34 N 1.49 3.74 -0.16 2.71 -1.09 -0.35 -1.24 121.20 126.30 1x2k s ILE 34 Ca 0.01 -1.88 0.13 0.00 -2.23 0.00 0.00 60.65 56.67 1x2k s ILE 34 Cb -0.19 -3.49 -0.24 0.00 -1.58 0.00 0.00 42.46 36.97 1x2k s ILE 34 CO 0.05 -0.70 0.23 0.35 -1.23 0.00 0.00 174.94 173.63 1x2k n THR 35 N 4.75 1.50 -4.15 2.92 -2.24 -1.23 -2.26 114.28 113.58 1x2k n THR 35 Ca -0.05 -0.79 -0.34 0.00 -2.27 0.00 0.00 64.05 60.59 1x2k n THR 35 Cb 0.41 -0.84 -0.11 0.00 -2.10 0.00 0.00 70.33 67.69 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 -5.91 5.26 -0.32 3.42 2.15 -1.22 -4.92 116.67 115.14 1x2k s ASP 36 Ca -0.12 -0.02 0.16 0.00 0.43 0.00 0.00 52.55 52.99 1x2k s ASP 36 Cb 0.07 -1.89 0.47 0.00 -0.30 0.00 0.00 42.92 41.27 1x2k s ASP 36 CO 0.80 0.16 1.07 0.23 -0.17 0.00 0.00 175.17 177.25 1x2k n MET 37 N 3.63 2.10 -0.09 4.34 2.81 -1.26 -2.93 117.12 125.72 1x2k n MET 37 Ca -0.17 -3.69 -0.13 0.00 -1.81 0.00 0.00 57.70 51.91 1x2k n MET 37 Cb 0.52 -1.69 -0.05 0.00 -0.71 0.00 0.00 33.22 31.30 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 2.68 0.64 -3.61 7.83 0.02 -1.94 -3.40 113.55 115.76 1x2k h SER 38 Ca 0.03 -0.45 -0.70 0.00 -0.84 0.00 0.00 61.79 59.82 1x2k h SER 38 Cb 1.22 -0.18 -0.26 0.00 0.14 0.00 0.00 62.40 63.33 1x2k h SER 38 CO 0.50 0.96 -0.54 -1.81 -1.14 0.00 0.00 176.83 174.79 1x2k s ASP 39 N -6.39 5.61 0.52 3.07 1.01 -1.25 -4.95 116.67 114.29 1x2k s ASP 39 Ca -0.13 -1.03 0.20 0.00 0.71 0.00 0.00 52.55 52.30 1x2k s ASP 39 Cb 0.08 -1.98 1.30 0.00 1.01 0.00 0.00 42.92 43.33 1x2k s ASP 39 CO 0.80 -0.37 2.07 0.74 0.21 0.00 0.00 175.17 178.63 1x2k h THR 40 N 5.95 0.88 0.09 -1.27 2.02 -2.00 -2.05 112.91 116.54 1x2k h THR 40 Ca -0.25 -0.01 -0.20 0.00 0.77 0.00 0.00 66.41 66.72 1x2k h THR 40 Cb 1.10 0.84 0.02 0.00 -1.74 0.00 0.00 68.15 68.37 1x2k h THR 40 CO 0.65 0.01 -0.85 0.78 0.37 0.00 0.00 175.52 176.48 1x2k h ASN 41 N 0.04 0.59 -3.28 4.18 2.35 -1.94 -3.39 115.58 114.12 1x2k h ASN 41 Ca 0.13 -0.85 -0.62 0.00 -0.55 0.00 0.00 56.30 54.41 1x2k h ASN 41 Cb 0.46 -0.19 -0.36 0.00 0.05 0.00 0.00 38.32 38.28 1x2k h ASN 41 CO -0.01 1.39 -0.82 0.26 -1.65 0.00 0.00 177.43 176.60 1x2k s TRP 42 N -2.84 2.37 0.34 1.19 0.52 -0.77 -3.51 118.94 116.24 1x2k s TRP 42 Ca -0.12 -1.47 0.07 0.00 0.02 0.00 0.00 56.10 54.59 1x2k s TRP 42 Cb 0.03 -1.65 -0.01 0.00 -1.15 0.00 0.00 33.47 30.69 1x2k s TRP 42 CO 0.85 -0.72 0.47 -1.58 0.02 0.00 0.00 176.95 175.99 1x2k s TRP 43 N 1.42 3.07 -0.23 -1.98 0.51 0.28 -3.79 118.94 118.21 1x2k s TRP 43 Ca 0.02 -0.24 0.02 0.00 -2.12 0.00 0.00 56.10 53.77 1x2k s TRP 43 Cb -0.15 -2.02 0.05 0.00 -0.81 0.00 0.00 33.47 30.55 1x2k s TRP 43 CO -0.10 -0.03 -0.10 0.21 -0.51 0.00 0.00 176.95 176.42 1x2k s LYS 44 N -4.18 2.07 0.29 4.98 2.20 -1.15 0.03 119.74 123.98 1x2k s LYS 44 Ca 0.46 -1.10 -0.07 0.00 -0.36 0.00 0.00 55.97 54.90 1x2k s LYS 44 Cb -0.09 -2.67 -0.00 0.00 -1.51 0.00 0.00 37.83 33.55 1x2k s LYS 44 CO 0.31 -0.52 0.45 0.20 -0.36 0.00 0.00 175.35 175.43 1x2k s GLY 45 N 1.26 1.01 -0.11 5.54 0.00 -1.16 -3.37 107.32 110.50 1x2k s GLY 45 Ca -0.05 -1.22 0.01 0.00 0.00 0.00 0.00 44.72 43.46 1x2k s GLY 45 CO -0.07 -0.85 -0.14 -1.59 0.00 0.00 0.00 173.10 170.46 1x2k s THR 46 N -3.56 1.39 0.00 0.90 2.01 -0.37 -2.68 115.64 113.33 1x2k s THR 46 Ca 0.27 -0.58 0.00 0.00 0.31 0.00 0.00 61.69 61.70 1x2k s THR 46 Cb 0.00 -1.29 0.00 0.00 0.01 0.00 0.00 72.50 71.22 1x2k s THR 46 CO 0.14 0.42 0.00 -0.24 -0.69 0.00 0.00 174.62 174.25 1x2k n SER 47 N 4.27 0.00 -4.32 3.53 2.88 -1.21 -2.05 113.62 116.72 1x2k n SER 47 Ca -0.19 0.00 -0.46 0.00 -1.33 0.00 0.00 58.87 56.89 1x2k n SER 47 Cb 0.51 -0.09 -0.05 0.00 -0.75 0.00 0.00 64.21 63.83 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 -0.72 -1.46 -0.14 -1.26 -4.68 119.74 114.22 1x2k s LYS 48 Ca 0.00 -1.76 -0.08 0.00 -1.36 0.00 0.00 55.97 52.78 1x2k s LYS 48 Cb 0.00 -4.32 0.08 0.00 -1.68 0.00 0.00 37.83 31.91 1x2k s LYS 48 CO 0.00 -1.36 0.19 0.41 -0.76 0.00 0.00 175.35 173.84 1x2k n GLY 49 N 5.10 -0.14 3.38 -3.33 0.00 -1.26 -4.79 105.19 104.15 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 -3.71 1.22 -0.22 1.61 0.52 -1.26 -5.15 118.95 111.96 1x2k s ARG 50 Ca 0.27 -1.15 -0.04 0.00 -0.52 0.00 0.00 55.73 54.30 1x2k s ARG 50 Cb -0.16 0.40 0.09 0.00 0.52 0.00 0.00 34.95 35.81 1x2k s ARG 50 CO 0.40 -0.46 0.19 0.99 0.02 0.00 0.00 175.30 176.44 1x2k s THR 51 N -3.96 -0.25 0.20 0.02 2.01 -1.26 -3.28 115.64 109.11 1x2k s THR 51 Ca 0.17 -0.28 -0.01 0.00 0.31 0.00 0.00 61.69 61.88 1x2k s THR 51 Cb 0.02 -0.75 0.00 0.00 0.01 0.00 0.00 72.50 71.79 1x2k s THR 51 CO 0.00 -0.34 0.27 0.61 -0.69 0.00 0.00 174.62 174.48 1x2k n GLY 52 N 5.30 2.61 3.76 4.40 0.00 -1.09 -4.99 105.19 115.17 1x2k n GLY 52 Ca -0.05 -1.53 -0.40 0.00 0.00 0.00 0.00 46.02 44.03 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 4.54 -0.03 0.99 1.43 0.64 -2.96 118.68 123.29 1x2k s LEU 53 Ca 0.17 2.32 0.03 0.00 -1.03 0.00 0.00 54.13 55.62 1x2k s LEU 53 Cb -0.00 -3.63 -0.00 0.00 0.03 0.00 0.00 46.19 42.59 1x2k s LEU 53 CO 0.12 -0.19 -0.12 -0.63 0.23 0.00 0.00 176.35 175.76 1x2k s ILE 54 N -1.15 0.98 0.14 -0.59 1.01 0.10 0.10 121.20 121.81 1x2k s ILE 54 Ca 0.45 -0.48 -0.31 0.00 0.00 0.00 0.00 60.65 60.32 1x2k s ILE 54 Cb -0.33 -0.86 -0.08 0.00 0.01 0.00 0.00 42.46 41.21 1x2k s ILE 54 CO 0.42 0.29 1.34 -2.16 0.00 0.00 0.00 174.94 174.84 1x2k s PRO 55 N 0.09 4.36 0.00 2.79 0.04 -1.26 -0.56 135.00 140.46 1x2k s PRO 55 Ca -0.02 2.04 0.31 0.00 0.04 0.00 0.00 61.00 63.36 1x2k s PRO 55 Cb -0.09 -3.24 1.67 0.00 0.04 0.00 0.00 34.50 32.89 1x2k s PRO 55 CO 0.01 -0.35 2.10 0.45 0.04 0.00 0.00 177.00 179.25 1x2k n SER 56 N 3.42 0.35 0.03 6.66 2.88 -1.23 -3.22 113.62 122.51 1x2k n SER 56 Ca 0.09 -1.06 0.01 0.00 -1.33 0.00 0.00 58.87 56.59 1x2k n SER 56 Cb 0.43 -0.01 -0.09 0.00 -0.75 0.00 0.00 64.21 63.79 1x2k n SER 56 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1x2k n ASN 57 N -0.75 0.72 -0.04 -3.46 5.15 -1.26 -4.35 115.26 111.26 1x2k n ASN 57 Ca 0.22 0.31 -0.22 0.00 -0.60 0.00 0.00 54.58 54.29 1x2k n ASN 57 Cb 0.18 0.42 -0.13 0.00 -0.53 0.00 0.00 39.78 39.72 1x2k n ASN 57 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 1x2k h TYR 58 N 0.00 0.26 -2.92 1.20 -1.99 -1.94 -3.48 116.97 108.09 1x2k h TYR 58 Ca -0.16 -0.19 -0.47 0.00 2.00 0.00 0.00 58.73 59.91 1x2k h TYR 58 Cb 1.52 -0.01 0.02 0.00 2.00 0.00 0.00 36.73 40.26 1x2k h TYR 58 CO 0.00 1.60 -0.13 0.14 -0.00 0.00 0.00 178.16 179.77 1x2k s VAL 59 N -2.45 4.92 -0.10 -2.88 -7.23 -1.20 -1.87 120.40 109.59 1x2k s VAL 59 Ca -0.25 -0.36 -0.17 0.00 -1.81 0.00 0.00 61.98 59.39 1x2k s VAL 59 Cb 0.06 -3.81 0.04 0.00 0.56 0.00 0.00 36.38 33.23 1x2k s VAL 59 CO 0.69 -0.58 0.43 0.00 -0.31 0.00 0.00 175.10 175.33 1x2k s ALA 60 N -2.42 -1.08 -0.34 1.32 0.00 -1.17 -4.77 121.76 113.30 1x2k s ALA 60 Ca 0.42 0.94 -0.36 0.00 0.00 0.00 0.00 51.96 52.97 1x2k s ALA 60 Cb -0.10 -0.35 -0.12 0.00 0.00 0.00 0.00 23.12 22.55 1x2k s ALA 60 CO 0.38 -0.25 2.16 -1.91 0.00 0.00 0.00 175.76 176.13 1x2k n GLU 61 N 2.03 1.09 -0.65 0.00 2.13 -1.26 -3.51 120.64 120.47 1x2k n GLU 61 Ca -0.17 0.31 -0.31 0.00 0.66 0.00 0.00 57.16 57.64 1x2k n GLU 61 Cb 0.57 -2.43 0.18 0.00 0.27 0.00 0.00 31.44 30.03 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 8.00 -1.52 -4.29 5.31 6.02 -1.21 -5.00 117.38 124.69 1x2k n GLN 62 Ca 0.40 -0.42 -0.24 0.00 -0.01 0.00 0.00 57.00 56.73 1x2k n GLN 62 Cb 0.22 -1.86 -0.08 0.00 1.02 0.00 0.00 30.24 29.54 1x2k n GLN 62 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1x2k s SER 63 N -2.03 4.28 0.00 1.08 0.15 -1.26 -5.08 113.70 110.84 1x2k s SER 63 Ca 0.59 -0.95 0.00 0.00 0.70 0.00 0.00 55.95 56.30 1x2k s SER 63 Cb -0.17 -0.57 0.00 0.00 -1.71 0.00 0.00 66.02 63.57 1x2k s SER 63 CO 0.66 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.46 1x2k n GLY 64 N -0.99 -1.96 0.18 9.45 0.00 -1.26 -5.03 105.19 105.57 1x2k n GLY 64 Ca -0.04 1.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.98 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 0.12 -5.92 1.61 0.13 -2.05 -3.45 132.00 122.45 1x2k h PRO 65 Ca 0.00 -0.07 -0.57 0.00 -0.87 0.00 0.00 66.00 64.50 1x2k h PRO 65 Cb 0.00 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 1x2k h PRO 65 CO 0.00 0.58 -0.52 -1.12 -0.23 0.00 0.00 178.00 176.71 1x2k s SER 66 N -6.89 4.40 0.15 1.44 0.01 -1.26 -5.07 113.70 106.48 1x2k s SER 66 Ca -0.03 -1.06 -0.33 0.00 1.31 0.00 0.00 55.95 55.84 1x2k s SER 66 Cb 0.13 -0.50 -0.16 0.00 0.21 0.00 0.00 66.02 65.70 1x2k s SER 66 CO 0.76 -0.49 1.12 -1.54 0.41 0.00 0.00 173.24 173.50 1x2k n SER 67 N -1.19 1.05 0.00 2.44 3.41 -1.26 -5.21 113.62 112.85 1x2k n SER 67 Ca -0.02 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.73 1x2k n SER 67 Cb 0.64 -1.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 1x2k n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49