#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 0.98 -0.22 1.61 0.15 -1.26 -5.04 113.70 109.91 1x2k s SER 2 Ca 0.00 -0.11 -0.16 0.00 0.70 0.00 0.00 55.95 56.39 1x2k s SER 2 Cb 0.00 -0.41 -0.09 0.00 -1.71 0.00 0.00 66.02 63.81 1x2k s SER 2 CO 0.00 -0.08 -0.35 -0.24 1.20 0.00 0.00 173.24 173.77 1x2k n SER 3 N 4.25 1.92 0.00 5.45 2.88 -1.26 -5.09 113.62 121.77 1x2k n SER 3 Ca -0.22 0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1x2k n SER 3 Cb 0.51 -0.77 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 1x2k n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x2k n GLY 4 N 1.39 0.69 3.65 0.46 0.00 -1.26 -5.05 105.19 105.07 1x2k n GLY 4 Ca -0.34 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 1x2k n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x2k s SER 5 N -0.87 6.74 -1.56 1.61 0.01 -1.26 -3.41 113.70 114.97 1x2k s SER 5 Ca 0.00 1.60 -0.17 0.00 1.31 0.00 0.00 55.95 58.69 1x2k s SER 5 Cb 0.00 -2.54 0.15 0.00 0.21 0.00 0.00 66.02 63.84 1x2k s SER 5 CO 0.00 -0.95 0.66 -1.20 0.41 0.00 0.00 173.24 172.16 1x2k n SER 6 N 7.26 -3.02 -4.72 2.44 7.64 -1.26 -4.87 113.62 117.08 1x2k n SER 6 Ca 0.15 -0.85 -0.42 0.00 1.01 0.00 0.00 58.87 58.77 1x2k n SER 6 Cb 0.45 -2.51 -0.04 0.00 -1.01 0.00 0.00 64.21 61.11 1x2k n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x2k s GLY 7 N -3.09 2.91 0.42 0.23 0.00 -1.22 -4.90 107.32 101.66 1x2k s GLY 7 Ca 0.66 0.60 -0.14 0.00 0.00 0.00 0.00 44.72 45.83 1x2k s GLY 7 CO 0.81 1.62 0.84 0.54 0.00 0.00 0.00 173.10 176.91 1x2k s LYS 8 N 0.51 3.93 -0.32 2.90 -0.14 -0.69 -4.89 119.74 121.04 1x2k s LYS 8 Ca 0.50 0.73 -0.03 0.00 -1.36 0.00 0.00 55.97 55.81 1x2k s LYS 8 Cb -0.23 -2.30 0.05 0.00 -1.68 0.00 0.00 37.83 33.67 1x2k s LYS 8 CO 0.29 -0.06 0.05 0.08 -0.76 0.00 0.00 175.35 174.95 1x2k s VAL 9 N -2.34 3.28 0.03 3.17 1.01 -1.26 -0.71 120.40 123.59 1x2k s VAL 9 Ca 0.55 -1.33 0.05 0.00 0.00 0.00 0.00 61.98 61.25 1x2k s VAL 9 Cb -0.10 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 1x2k s VAL 9 CO 0.26 -0.16 -0.11 -0.36 0.00 0.00 0.00 175.10 174.73 1x2k s PHE 10 N 1.30 2.77 -0.01 5.22 0.40 -0.17 -3.13 117.98 124.35 1x2k s PHE 10 Ca -0.03 -0.12 0.00 0.00 -0.60 0.00 0.00 56.93 56.18 1x2k s PHE 10 Cb -0.20 -1.54 -0.04 0.00 0.51 0.00 0.00 43.02 41.76 1x2k s PHE 10 CO 0.00 0.34 0.03 0.50 0.70 0.00 0.00 175.22 176.80 1x2k s ARG 11 N -1.53 2.92 -0.48 0.44 3.52 -1.10 -0.82 118.95 121.90 1x2k s ARG 11 Ca 0.17 -0.54 -0.26 0.00 -0.13 0.00 0.00 55.73 54.98 1x2k s ARG 11 Cb -0.11 -2.76 0.03 0.00 -1.56 0.00 0.00 34.95 30.55 1x2k s ARG 11 CO 0.08 0.64 0.97 0.00 -0.81 0.00 0.00 175.30 176.18 1x2k s ALA 12 N -1.11 3.20 0.57 6.12 0.00 -1.14 -2.27 121.76 127.13 1x2k s ALA 12 Ca 0.20 -0.82 0.25 0.00 0.00 0.00 0.00 51.96 51.60 1x2k s ALA 12 Cb -0.12 -3.70 1.65 0.00 0.00 0.00 0.00 23.12 20.95 1x2k s ALA 12 CO 0.11 -2.16 2.22 -0.07 0.00 0.00 0.00 175.76 175.86 1x2k h LEU 13 N 10.77 0.00 -7.93 0.00 3.38 -0.89 -0.28 115.31 120.37 1x2k h LEU 13 Ca -0.24 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.81 1x2k h LEU 13 Cb 1.07 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 1x2k h LEU 13 CO 1.06 0.00 0.31 -0.31 0.09 0.00 0.00 178.44 179.59 1x2k s TYR 14 N -4.76 -0.10 -0.02 1.13 1.51 -1.26 -4.70 117.35 109.16 1x2k s TYR 14 Ca -0.05 -0.37 -0.30 0.00 -1.01 0.00 0.00 57.07 55.34 1x2k s TYR 14 Cb 0.16 0.72 -0.05 0.00 -0.11 0.00 0.00 41.96 42.68 1x2k s TYR 14 CO 0.59 -1.20 1.34 0.99 -1.11 0.00 0.00 175.55 176.16 1x2k s THR 15 N -3.35 3.88 0.09 -0.71 2.01 -1.26 -3.96 115.64 112.35 1x2k s THR 15 Ca 0.13 1.24 0.01 0.00 0.31 0.00 0.00 61.69 63.38 1x2k s THR 15 Cb -0.05 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 1x2k s THR 15 CO 0.07 -0.01 0.21 0.12 -0.69 0.00 0.00 174.62 174.32 1x2k s PHE 16 N 2.43 3.44 -0.41 4.92 5.36 -0.99 -4.92 117.98 127.82 1x2k s PHE 16 Ca 0.61 0.17 0.04 0.00 -0.96 0.00 0.00 56.93 56.79 1x2k s PHE 16 Cb -0.29 -1.70 0.11 0.00 -0.34 0.00 0.00 43.02 40.80 1x2k s PHE 16 CO 0.25 0.56 0.14 -1.21 -1.46 0.00 0.00 175.22 173.49 1x2k s GLU 17 N -2.74 1.62 -0.28 10.12 8.01 -1.26 -4.19 118.70 129.98 1x2k s GLU 17 Ca 0.34 -2.12 -0.29 0.00 0.01 0.00 0.00 54.97 52.91 1x2k s GLU 17 Cb -0.12 -3.15 -0.02 0.00 -4.31 0.00 0.00 34.13 26.53 1x2k s GLU 17 CO 0.27 -1.01 1.65 -1.25 0.01 0.00 0.00 175.26 174.92 1x2k s PRO 18 N 0.47 3.63 0.29 0.39 0.04 -1.26 -4.88 135.00 133.68 1x2k s PRO 18 Ca 0.13 1.50 0.13 0.00 0.04 0.00 0.00 61.00 62.81 1x2k s PRO 18 Cb -0.22 -4.08 0.36 0.00 0.04 0.00 0.00 34.50 30.60 1x2k s PRO 18 CO -0.06 -1.50 1.59 0.00 0.04 0.00 0.00 177.00 177.08 1x2k h ARG 19 N 11.39 0.00 -5.87 4.56 -0.00 -1.98 -3.44 114.38 119.04 1x2k h ARG 19 Ca -0.33 0.00 -0.63 0.00 -0.50 0.00 0.00 59.98 58.52 1x2k h ARG 19 Cb 1.15 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 31.08 1x2k h ARG 19 CO 1.02 0.58 -0.48 0.95 0.00 0.00 0.00 179.97 182.04 1x2k s THR 20 N -3.44 5.40 -1.22 2.04 -4.23 -1.26 -4.98 115.64 107.94 1x2k s THR 20 Ca -0.00 -0.22 0.15 0.00 -1.18 0.00 0.00 61.69 60.44 1x2k s THR 20 Cb 0.11 -3.58 0.19 0.00 1.34 0.00 0.00 72.50 70.56 1x2k s THR 20 CO 0.74 0.25 1.43 -0.81 -0.54 0.00 0.00 174.62 175.69 1x2k n PRO 21 N 0.67 0.11 0.07 3.99 -0.04 -1.26 -2.17 135.00 136.37 1x2k n PRO 21 Ca -0.08 0.20 0.05 0.00 -0.04 0.00 0.00 63.50 63.63 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 -0.44 -0.04 0.00 0.00 175.50 175.02 1x2k h ASP 22 N 0.00 0.00 -4.39 3.54 3.32 -1.96 -3.47 116.42 113.46 1x2k h ASP 22 Ca 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 1x2k h ASP 22 Cb 0.19 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.84 1x2k h ASP 22 CO 0.00 0.30 0.37 -1.61 -1.72 0.00 0.00 179.24 176.58 1x2k s GLU 23 N -3.13 2.14 -0.08 3.56 2.02 -0.92 -0.85 118.70 121.44 1x2k s GLU 23 Ca -0.01 0.44 0.01 0.00 0.02 0.00 0.00 54.97 55.43 1x2k s GLU 23 Cb 0.09 -1.94 -0.03 0.00 0.10 0.00 0.00 34.13 32.35 1x2k s GLU 23 CO 0.80 -1.53 -0.09 -1.17 0.02 0.00 0.00 175.26 173.28 1x2k s LEU 24 N -5.66 2.99 -0.18 1.80 2.96 0.18 -4.51 118.68 116.26 1x2k s LEU 24 Ca 0.61 -0.13 -0.13 0.00 -0.22 0.00 0.00 54.13 54.26 1x2k s LEU 24 Cb -0.13 -1.65 -0.05 0.00 0.50 0.00 0.00 46.19 44.86 1x2k s LEU 24 CO 0.52 0.31 0.27 -0.47 -1.32 0.00 0.00 176.35 175.66 1x2k s TYR 25 N -0.49 3.43 0.17 5.38 5.04 -1.26 -4.65 117.35 124.96 1x2k s TYR 25 Ca 0.07 0.52 0.02 0.00 -2.44 0.00 0.00 57.07 55.24 1x2k s TYR 25 Cb -0.12 -2.33 -0.05 0.00 0.35 0.00 0.00 41.96 39.81 1x2k s TYR 25 CO 0.02 0.19 -0.01 -0.59 -1.34 0.00 0.00 175.55 173.82 1x2k s PHE 26 N 0.63 1.22 0.10 4.97 -0.71 -1.26 -4.85 117.98 118.08 1x2k s PHE 26 Ca 0.15 -0.99 0.10 0.00 -1.04 0.00 0.00 56.93 55.14 1x2k s PHE 26 Cb -0.13 -0.69 -0.04 0.00 -1.21 0.00 0.00 43.02 40.95 1x2k s PHE 26 CO 0.04 -0.18 -0.24 -1.21 -1.34 0.00 0.00 175.22 172.29 1x2k s GLU 27 N -3.90 1.65 -0.08 1.99 2.02 -1.26 -2.34 118.70 116.77 1x2k s GLU 27 Ca 0.23 -1.22 -0.40 0.00 0.02 0.00 0.00 54.97 53.60 1x2k s GLU 27 Cb 0.06 -2.00 -0.20 0.00 0.10 0.00 0.00 34.13 32.09 1x2k s GLU 27 CO 0.03 0.48 1.13 -1.91 0.02 0.00 0.00 175.26 175.02 1x2k n GLU 28 N 1.11 0.00 -2.31 1.61 2.13 -1.25 -2.34 120.64 119.59 1x2k n GLU 28 Ca -0.17 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.60 1x2k n GLU 28 Cb 0.53 -1.47 0.03 0.00 0.27 0.00 0.00 31.44 30.80 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 1.88 0.20 2.92 8.31 0.00 -0.12 -4.93 105.19 113.45 1x2k n GLY 29 Ca 0.21 -0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.32 1.73 0.52 1.61 1.11 -0.99 -4.94 116.67 112.39 1x2k s ASP 30 Ca 0.06 -0.24 -0.23 0.00 0.18 0.00 0.00 52.55 52.32 1x2k s ASP 30 Cb -0.01 -0.70 -0.06 0.00 1.07 0.00 0.00 42.92 43.22 1x2k s ASP 30 CO 0.24 -0.07 1.40 -0.63 1.18 0.00 0.00 175.17 177.28 1x2k s ILE 31 N 1.30 2.01 -0.01 0.77 -1.09 -1.26 -2.88 121.20 120.03 1x2k s ILE 31 Ca -0.04 0.01 -0.04 0.00 -2.23 0.00 0.00 60.65 58.36 1x2k s ILE 31 Cb -0.14 -3.01 0.00 0.00 -1.58 0.00 0.00 42.46 37.74 1x2k s ILE 31 CO -0.03 0.00 0.08 -0.63 -1.23 0.00 0.00 174.94 173.13 1x2k s ILE 32 N -1.26 0.05 -0.40 2.92 1.01 -0.00 -4.58 121.20 118.94 1x2k s ILE 32 Ca 0.68 -0.41 -0.06 0.00 0.00 0.00 0.00 60.65 60.86 1x2k s ILE 32 Cb -0.42 -0.26 0.09 0.00 0.01 0.00 0.00 42.46 41.88 1x2k s ILE 32 CO 0.52 -0.23 0.20 -0.31 0.00 0.00 0.00 174.94 175.12 1x2k s TYR 33 N -0.72 3.42 -0.49 3.97 1.51 -0.74 -1.00 117.35 123.31 1x2k s TYR 33 Ca -0.08 -1.90 -0.16 0.00 -1.01 0.00 0.00 57.07 53.91 1x2k s TYR 33 Cb -0.05 -2.94 0.07 0.00 -0.11 0.00 0.00 41.96 38.94 1x2k s TYR 33 CO 0.00 -0.89 0.46 0.42 -1.11 0.00 0.00 175.55 174.43 1x2k s ILE 34 N 1.30 5.14 -0.14 2.71 -1.09 0.11 -1.88 121.20 127.35 1x2k s ILE 34 Ca 0.04 -0.97 0.10 0.00 -2.23 0.00 0.00 60.65 57.59 1x2k s ILE 34 Cb -0.23 -4.19 -0.15 0.00 -1.58 0.00 0.00 42.46 36.31 1x2k s ILE 34 CO -0.01 -0.66 0.00 0.35 -1.23 0.00 0.00 174.94 173.39 1x2k n THR 35 N 5.30 0.93 -3.49 2.92 -2.24 -1.19 -1.71 114.28 114.81 1x2k n THR 35 Ca -0.11 -0.52 -0.42 0.00 -2.27 0.00 0.00 64.05 60.72 1x2k n THR 35 Cb 0.44 -0.75 -0.10 0.00 -2.10 0.00 0.00 70.33 67.82 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 -4.87 6.08 -0.25 3.42 1.11 -1.10 -4.93 116.67 116.14 1x2k s ASP 36 Ca -0.10 -0.75 0.09 0.00 0.18 0.00 0.00 52.55 51.97 1x2k s ASP 36 Cb 0.04 -2.15 0.44 0.00 1.07 0.00 0.00 42.92 42.32 1x2k s ASP 36 CO 0.51 -0.38 1.21 0.23 1.18 0.00 0.00 175.17 177.92 1x2k n MET 37 N 5.14 2.52 -0.06 8.23 2.81 -1.26 -2.41 117.12 132.10 1x2k n MET 37 Ca -0.12 -3.71 -0.14 0.00 -1.81 0.00 0.00 57.70 51.93 1x2k n MET 37 Cb 0.48 -1.92 -0.06 0.00 -0.71 0.00 0.00 33.22 31.00 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 1.54 0.61 -3.71 7.83 0.87 -1.92 -3.38 113.55 115.39 1x2k h SER 38 Ca 0.17 -0.54 -0.77 0.00 -1.23 0.00 0.00 61.79 59.42 1x2k h SER 38 Cb 1.25 -0.17 -0.27 0.00 -0.44 0.00 0.00 62.40 62.77 1x2k h SER 38 CO 0.35 1.03 -0.03 -1.81 -0.53 0.00 0.00 176.83 175.84 1x2k s ASP 39 N -6.48 6.44 0.60 6.23 1.01 -1.24 -4.90 116.67 118.32 1x2k s ASP 39 Ca -0.13 -2.52 0.30 0.00 0.71 0.00 0.00 52.55 50.91 1x2k s ASP 39 Cb 0.07 -2.16 1.16 0.00 1.01 0.00 0.00 42.92 43.00 1x2k s ASP 39 CO 0.81 -0.60 1.49 0.74 0.21 0.00 0.00 175.17 177.82 1x2k h THR 40 N 5.09 0.10 0.17 -1.27 2.02 -1.97 0.84 112.91 117.89 1x2k h THR 40 Ca 0.01 0.00 -0.24 0.00 0.77 0.00 0.00 66.41 66.94 1x2k h THR 40 Cb 1.04 0.17 0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1x2k h THR 40 CO 0.80 0.00 -1.11 0.78 0.37 0.00 0.00 175.52 176.36 1x2k h ASN 41 N 0.00 0.55 -3.25 4.18 2.35 -1.95 -3.41 115.58 114.06 1x2k h ASN 41 Ca 0.47 -0.93 -0.60 0.00 -0.55 0.00 0.00 56.30 54.69 1x2k h ASN 41 Cb 2.55 -0.18 -0.35 0.00 0.05 0.00 0.00 38.32 40.39 1x2k h ASN 41 CO -0.00 1.53 -0.84 0.26 -1.65 0.00 0.00 177.43 176.72 1x2k s TRP 42 N -2.48 2.08 -0.07 1.19 0.52 0.29 -3.65 118.94 116.82 1x2k s TRP 42 Ca -0.14 -1.01 0.01 0.00 0.02 0.00 0.00 56.10 54.99 1x2k s TRP 42 Cb 0.02 -1.49 -0.03 0.00 -1.15 0.00 0.00 33.47 30.83 1x2k s TRP 42 CO 0.85 -0.51 -0.07 -1.58 0.02 0.00 0.00 176.95 175.66 1x2k s TRP 43 N 1.01 2.94 -0.39 -1.98 0.51 0.59 -3.71 118.94 117.89 1x2k s TRP 43 Ca -0.06 0.01 -0.16 0.00 -2.12 0.00 0.00 56.10 53.77 1x2k s TRP 43 Cb -0.15 -1.71 0.01 0.00 -0.81 0.00 0.00 33.47 30.81 1x2k s TRP 43 CO -0.02 0.32 0.40 0.21 -0.51 0.00 0.00 176.95 177.35 1x2k s LYS 44 N -0.79 3.25 0.26 4.98 2.47 -1.01 0.19 119.74 129.09 1x2k s LYS 44 Ca 0.12 -0.66 -0.07 0.00 -1.56 0.00 0.00 55.97 53.81 1x2k s LYS 44 Cb -0.11 -3.91 -0.01 0.00 -1.46 0.00 0.00 37.83 32.34 1x2k s LYS 44 CO 0.01 -0.73 0.37 0.20 0.16 0.00 0.00 175.35 175.37 1x2k s GLY 45 N 1.77 1.06 -0.11 5.54 0.00 -0.78 -2.71 107.32 112.09 1x2k s GLY 45 Ca 0.11 -1.29 0.03 0.00 0.00 0.00 0.00 44.72 43.57 1x2k s GLY 45 CO 0.13 -0.96 -0.21 -1.59 0.00 0.00 0.00 173.10 170.47 1x2k s THR 46 N -3.83 1.86 0.00 0.90 2.01 -0.79 -2.13 115.64 113.66 1x2k s THR 46 Ca 0.30 -0.89 0.00 0.00 0.31 0.00 0.00 61.69 61.41 1x2k s THR 46 Cb 0.02 -1.64 0.00 0.00 0.01 0.00 0.00 72.50 70.89 1x2k s THR 46 CO 0.13 0.51 0.00 -0.24 -0.69 0.00 0.00 174.62 174.33 1x2k n SER 47 N 3.79 0.00 -4.32 3.53 2.88 -1.20 -1.79 113.62 116.51 1x2k n SER 47 Ca -0.20 0.00 -0.46 0.00 -1.33 0.00 0.00 58.87 56.88 1x2k n SER 47 Cb 0.52 -0.06 -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 3.07 -0.75 -1.46 -0.14 -1.26 -4.68 119.74 114.18 1x2k s LYS 48 Ca 0.00 -1.74 -0.08 0.00 -1.36 0.00 0.00 55.97 52.79 1x2k s LYS 48 Cb 0.00 -4.32 0.08 0.00 -1.68 0.00 0.00 37.83 31.92 1x2k s LYS 48 CO 0.00 -1.36 0.21 0.41 -0.76 0.00 0.00 175.35 173.84 1x2k n GLY 49 N 5.12 -0.15 3.37 -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 -3.75 1.20 -0.17 1.61 0.52 -1.26 -5.15 118.95 111.94 1x2k s ARG 50 Ca 0.29 -1.13 -0.05 0.00 -0.52 0.00 0.00 55.73 54.32 1x2k s ARG 50 Cb -0.17 0.40 0.06 0.00 0.52 0.00 0.00 34.95 35.76 1x2k s ARG 50 CO 0.42 -0.45 0.08 0.99 0.02 0.00 0.00 175.30 176.36 1x2k s THR 51 N -3.96 -0.00 0.20 0.02 2.01 -1.26 -3.24 115.64 109.41 1x2k s THR 51 Ca 0.16 -0.22 -0.04 0.00 0.31 0.00 0.00 61.69 61.91 1x2k s THR 51 Cb 0.03 -0.64 0.01 0.00 0.01 0.00 0.00 72.50 71.91 1x2k s THR 51 CO -0.00 -0.27 0.33 0.61 -0.69 0.00 0.00 174.62 174.59 1x2k n GLY 52 N 5.25 2.15 3.80 4.40 0.00 -0.90 -4.99 105.19 114.90 1x2k n GLY 52 Ca -0.07 -1.37 -0.33 0.00 0.00 0.00 0.00 46.02 44.25 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 3.45 -0.10 0.99 1.43 -0.03 -1.86 118.68 122.57 1x2k s LEU 53 Ca 0.13 1.82 -0.07 0.00 -1.03 0.00 0.00 54.13 54.98 1x2k s LEU 53 Cb -0.01 -4.53 0.03 0.00 0.03 0.00 0.00 46.19 41.71 1x2k s LEU 53 CO 0.09 -1.25 0.24 -0.63 0.23 0.00 0.00 176.35 175.04 1x2k s ILE 54 N -2.49 -0.02 0.17 -0.59 1.01 0.51 0.52 121.20 120.32 1x2k s ILE 54 Ca 0.64 0.06 -0.30 0.00 0.00 0.00 0.00 60.65 61.04 1x2k s ILE 54 Cb -0.16 -0.36 -0.08 0.00 0.01 0.00 0.00 42.46 41.87 1x2k s ILE 54 CO 0.39 0.02 1.32 -2.16 0.00 0.00 0.00 174.94 174.51 1x2k s PRO 55 N 0.57 4.38 -0.08 2.79 0.04 -1.26 -0.30 135.00 141.13 1x2k s PRO 55 Ca -0.04 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.06 1x2k s PRO 55 Cb -0.05 -3.22 0.15 0.00 0.04 0.00 0.00 34.50 31.43 1x2k s PRO 55 CO -0.03 -0.29 1.07 -1.13 0.04 0.00 0.00 177.00 176.66 1x2k n SER 56 N 3.00 2.84 0.00 6.66 3.41 -1.24 -3.38 113.62 124.91 1x2k n SER 56 Ca 0.07 -2.30 0.00 0.00 -0.26 0.00 0.00 58.87 56.38 1x2k n SER 56 Cb 0.43 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 1x2k n SER 56 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1x2k n ASN 57 N 0.14 4.66 0.04 4.04 0.23 -1.26 -4.72 115.26 118.40 1x2k n ASN 57 Ca 0.11 0.00 -0.09 0.00 -0.53 0.00 0.00 54.58 54.07 1x2k n ASN 57 Cb 0.67 0.46 -0.13 0.00 -2.08 0.00 0.00 39.78 38.70 1x2k n ASN 57 CO 0.00 0.00 0.00 1.88 -0.93 0.00 0.00 177.26 178.21 1x2k h TYR 58 N 0.00 0.06 -1.78 -2.53 0.05 -1.95 -3.47 116.97 107.35 1x2k h TYR 58 Ca 0.00 -0.04 -0.47 0.00 0.05 0.00 0.00 58.73 58.26 1x2k h TYR 58 Cb 0.93 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.65 1x2k h TYR 58 CO 0.00 1.04 -0.40 0.14 -1.05 0.00 0.00 178.16 177.89 1x2k s VAL 59 N -2.68 3.58 0.12 -2.88 -7.23 -1.25 -0.14 120.40 109.92 1x2k s VAL 59 Ca -0.01 -1.23 -0.16 0.00 -1.81 0.00 0.00 61.98 58.76 1x2k s VAL 59 Cb 0.09 -3.22 0.03 0.00 0.56 0.00 0.00 36.38 33.84 1x2k s VAL 59 CO 0.83 -0.14 0.40 0.00 -0.31 0.00 0.00 175.10 175.88 1x2k s ALA 60 N -2.28 -0.93 0.08 1.32 0.00 -0.96 -4.89 121.76 114.10 1x2k s ALA 60 Ca 0.44 -0.03 -0.35 0.00 0.00 0.00 0.00 51.96 52.03 1x2k s ALA 60 Cb -0.07 0.66 -0.14 0.00 0.00 0.00 0.00 23.12 23.57 1x2k s ALA 60 CO 0.28 -0.63 1.61 -1.91 0.00 0.00 0.00 175.76 175.12 1x2k n GLU 61 N -0.16 1.98 -2.59 0.00 4.07 -1.26 -2.69 120.64 119.98 1x2k n GLU 61 Ca -0.16 0.72 -0.42 0.00 -0.06 0.00 0.00 57.16 57.23 1x2k n GLU 61 Cb 0.63 -2.48 -0.03 0.00 -0.06 0.00 0.00 31.44 29.51 1x2k n GLU 61 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 1x2k s GLN 62 N 1.59 4.43 0.14 5.31 -1.52 -1.18 -4.89 119.66 123.54 1x2k s GLN 62 Ca 0.83 1.53 -0.18 0.00 -1.95 0.00 0.00 55.36 55.59 1x2k s GLN 62 Cb -0.73 -3.51 0.04 0.00 -0.22 0.00 0.00 33.01 28.59 1x2k s GLN 62 CO 0.43 -0.29 0.46 -1.54 -0.25 0.00 0.00 175.29 174.10 1x2k s SER 63 N 1.19 -0.31 -0.07 5.90 1.04 -1.26 -5.04 113.70 115.14 1x2k s SER 63 Ca 0.53 -0.27 -0.24 0.00 0.48 0.00 0.00 55.95 56.45 1x2k s SER 63 Cb -0.22 0.52 0.05 0.00 0.10 0.00 0.00 66.02 66.47 1x2k s SER 63 CO 0.23 -0.91 0.54 -0.83 0.98 0.00 0.00 173.24 173.25 1x2k s GLY 64 N -2.80 -0.42 0.88 7.32 0.00 -1.26 -5.17 107.32 105.88 1x2k s GLY 64 Ca 0.03 1.06 -0.11 0.00 0.00 0.00 0.00 44.72 45.70 1x2k s GLY 64 CO -0.11 0.77 1.09 2.56 0.00 0.00 0.00 173.10 177.42 1x2k s PRO 65 N -0.95 1.35 -0.21 2.90 0.04 -1.26 -4.89 135.00 131.98 1x2k s PRO 65 Ca -0.10 0.85 -0.32 0.00 0.04 0.00 0.00 61.00 61.48 1x2k s PRO 65 Cb -0.02 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.61 1x2k s PRO 65 CO 0.06 -2.19 2.12 -1.13 0.04 0.00 0.00 177.00 175.91 1x2k n SER 66 N -3.85 3.05 -3.14 6.66 3.41 -1.26 -4.84 113.62 113.64 1x2k n SER 66 Ca 0.07 0.48 -0.31 0.00 -0.26 0.00 0.00 58.87 58.85 1x2k n SER 66 Cb 0.55 -1.43 -0.00 0.00 -0.26 0.00 0.00 64.21 63.07 1x2k n SER 66 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x2k n SER 67 N 9.79 -2.06 0.00 4.04 7.64 -1.26 -5.37 113.62 126.40 1x2k n SER 67 Ca 0.31 0.60 0.00 0.00 1.01 0.00 0.00 58.87 60.79 1x2k n SER 67 Cb 0.35 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 1x2k n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64