#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 7.14 0.39 1.61 0.15 -1.26 -5.01 113.70 116.72 1x2k s SER 2 Ca 0.00 1.40 -0.27 0.00 0.70 0.00 0.00 55.95 57.77 1x2k s SER 2 Cb 0.00 -2.51 -0.10 0.00 -1.71 0.00 0.00 66.02 61.70 1x2k s SER 2 CO 0.00 -0.37 1.41 -0.44 1.20 0.00 0.00 173.24 175.05 1x2k s SER 3 N 1.07 6.29 0.59 5.45 0.01 -1.26 -4.70 113.70 121.14 1x2k s SER 3 Ca 0.44 2.90 0.00 0.00 1.31 0.00 0.00 55.95 60.60 1x2k s SER 3 Cb -0.18 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.39 1x2k s SER 3 CO 0.18 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.55 1x2k n GLY 4 N 0.58 -4.39 3.72 3.44 0.00 -1.26 -4.79 105.19 102.49 1x2k n GLY 4 Ca 0.02 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 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 -4.62 6.81 0.19 1.61 0.15 -1.26 -4.93 113.70 111.64 1x2k s SER 5 Ca 0.00 2.39 -0.33 0.00 0.70 0.00 0.00 55.95 58.71 1x2k s SER 5 Cb 0.00 -2.59 -0.14 0.00 -1.71 0.00 0.00 66.02 61.58 1x2k s SER 5 CO 0.00 -0.64 1.47 -0.24 1.20 0.00 0.00 173.24 175.02 1x2k n SER 6 N 3.56 2.74 -3.97 5.45 2.88 -1.26 -4.98 113.62 118.04 1x2k n SER 6 Ca 0.10 1.11 -0.29 0.00 -1.33 0.00 0.00 58.87 58.46 1x2k n SER 6 Cb 0.42 -1.40 -0.16 0.00 -0.75 0.00 0.00 64.21 62.32 1x2k n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x2k s GLY 7 N 0.57 1.06 0.60 0.46 0.00 -1.26 -4.57 107.32 104.18 1x2k s GLY 7 Ca 0.75 -0.86 -0.08 0.00 0.00 0.00 0.00 44.72 44.53 1x2k s GLY 7 CO 0.44 0.68 0.94 0.54 0.00 0.00 0.00 173.10 175.71 1x2k s LYS 8 N 1.54 3.09 -0.32 2.90 1.02 -0.96 -4.88 119.74 122.14 1x2k s LYS 8 Ca 0.03 0.23 -0.01 0.00 0.02 0.00 0.00 55.97 56.25 1x2k s LYS 8 Cb -0.14 -2.21 0.07 0.00 -0.52 0.00 0.00 37.83 35.04 1x2k s LYS 8 CO -0.09 -0.68 0.04 0.08 -0.92 0.00 0.00 175.35 173.77 1x2k s VAL 9 N -3.06 2.84 -0.09 3.17 1.01 -1.26 -1.83 120.40 121.18 1x2k s VAL 9 Ca 0.54 -1.71 -0.02 0.00 0.00 0.00 0.00 61.98 60.78 1x2k s VAL 9 Cb -0.11 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 1x2k s VAL 9 CO 0.48 -0.30 0.01 -0.36 0.00 0.00 0.00 175.10 174.93 1x2k s PHE 10 N 1.15 3.19 0.03 5.22 0.40 -0.09 -2.77 117.98 125.11 1x2k s PHE 10 Ca -0.00 0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.54 1x2k s PHE 10 Cb -0.20 -1.81 -0.04 0.00 0.51 0.00 0.00 43.02 41.48 1x2k s PHE 10 CO -0.03 0.47 0.07 0.50 0.70 0.00 0.00 175.22 176.93 1x2k s ARG 11 N -0.84 2.98 -0.49 0.44 3.52 -1.19 -0.64 118.95 122.73 1x2k s ARG 11 Ca 0.13 -0.57 -0.26 0.00 -0.13 0.00 0.00 55.73 54.90 1x2k s ARG 11 Cb -0.11 -2.80 0.03 0.00 -1.56 0.00 0.00 34.95 30.51 1x2k s ARG 11 CO 0.02 0.62 1.00 0.00 -0.81 0.00 0.00 175.30 176.13 1x2k s ALA 12 N -1.25 3.18 0.45 6.12 0.00 -1.16 -2.91 121.76 126.19 1x2k s ALA 12 Ca 0.25 -0.80 0.23 0.00 0.00 0.00 0.00 51.96 51.64 1x2k s ALA 12 Cb -0.12 -3.75 1.32 0.00 0.00 0.00 0.00 23.12 20.57 1x2k s ALA 12 CO 0.17 -2.22 2.06 -0.07 0.00 0.00 0.00 175.76 175.70 1x2k h LEU 13 N 10.91 0.00 -7.00 0.00 3.38 -1.69 -0.04 115.31 120.87 1x2k h LEU 13 Ca -0.24 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 1x2k h LEU 13 Cb 1.07 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.65 1x2k h LEU 13 CO 1.07 0.13 0.22 -0.31 0.09 0.00 0.00 178.44 179.64 1x2k s TYR 14 N -4.40 -0.60 0.13 1.13 2.02 -1.26 -4.77 117.35 109.60 1x2k s TYR 14 Ca -0.03 0.82 -0.32 0.00 -0.37 0.00 0.00 57.07 57.16 1x2k s TYR 14 Cb 0.14 0.46 -0.12 0.00 -0.40 0.00 0.00 41.96 42.05 1x2k s TYR 14 CO 0.62 -0.68 1.74 2.41 -1.57 0.00 0.00 175.55 178.07 1x2k n THR 15 N 0.44 0.19 -4.29 -0.71 -1.04 -1.26 -4.37 114.28 103.24 1x2k n THR 15 Ca -0.18 -0.03 -0.29 0.00 -2.04 0.00 0.00 64.05 61.51 1x2k n THR 15 Cb 0.60 -1.90 -0.10 0.00 -1.82 0.00 0.00 70.33 67.10 1x2k n THR 15 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1x2k s PHE 16 N 1.95 2.58 -0.20 -1.42 5.36 -1.17 -4.89 117.98 120.19 1x2k s PHE 16 Ca 0.80 -0.24 0.01 0.00 -0.96 0.00 0.00 56.93 56.55 1x2k s PHE 16 Cb -0.56 -1.33 0.03 0.00 -0.34 0.00 0.00 43.02 40.82 1x2k s PHE 16 CO 0.38 0.44 -0.15 -1.21 -1.46 0.00 0.00 175.22 173.21 1x2k s GLU 17 N -2.39 2.51 -0.22 10.12 2.02 -1.26 -3.88 118.70 125.60 1x2k s GLU 17 Ca 0.21 -0.92 -0.29 0.00 0.02 0.00 0.00 54.97 53.99 1x2k s GLU 17 Cb -0.10 -2.55 -0.03 0.00 0.10 0.00 0.00 34.13 31.55 1x2k s GLU 17 CO 0.12 -0.35 1.61 -1.25 0.02 0.00 0.00 175.26 175.42 1x2k s PRO 18 N 1.29 3.79 0.37 0.39 0.04 -1.26 -4.88 135.00 134.74 1x2k s PRO 18 Ca 0.00 1.66 0.18 0.00 0.04 0.00 0.00 61.00 62.88 1x2k s PRO 18 Cb -0.15 -4.04 0.68 0.00 0.04 0.00 0.00 34.50 31.03 1x2k s PRO 18 CO -0.10 -1.30 1.74 0.00 0.04 0.00 0.00 177.00 177.38 1x2k h ARG 19 N 10.73 0.00 -6.45 4.56 -0.00 -1.97 -3.44 114.38 117.81 1x2k h ARG 19 Ca -0.34 0.00 -0.66 0.00 -0.50 0.00 0.00 59.98 58.49 1x2k h ARG 19 Cb 1.15 0.00 -0.14 0.00 0.00 0.00 0.00 29.97 30.98 1x2k h ARG 19 CO 1.00 0.38 -0.70 0.95 0.00 0.00 0.00 179.97 181.60 1x2k s THR 20 N -3.64 3.68 -1.99 2.04 -4.23 -1.26 -5.00 115.64 105.24 1x2k s THR 20 Ca -0.00 -1.13 0.16 0.00 -1.18 0.00 0.00 61.69 59.54 1x2k s THR 20 Cb 0.11 -2.73 0.44 0.00 1.34 0.00 0.00 72.50 71.66 1x2k s THR 20 CO 0.69 0.12 1.34 -0.81 -0.54 0.00 0.00 174.62 175.43 1x2k n PRO 21 N 0.66 0.48 0.01 3.99 -0.04 -1.26 -2.00 135.00 136.84 1x2k n PRO 21 Ca -0.12 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.45 1x2k n PRO 21 Cb 0.52 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.01 0.14 -4.80 3.54 8.00 -1.26 -4.97 116.55 116.20 1x2k n ASP 22 Ca 0.12 0.04 -0.29 0.00 0.71 0.00 0.00 54.79 55.37 1x2k n ASP 22 Cb 0.06 1.75 0.10 0.00 -0.02 0.00 0.00 41.12 43.01 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 -3.49 1.74 -0.10 -1.24 2.02 -0.85 -2.36 118.70 114.42 1x2k s GLU 23 Ca -0.07 0.06 0.01 0.00 0.02 0.00 0.00 54.97 55.00 1x2k s GLU 23 Cb 0.13 -1.93 -0.02 0.00 0.10 0.00 0.00 34.13 32.41 1x2k s GLU 23 CO 0.89 -1.74 -0.13 -1.17 0.02 0.00 0.00 175.26 173.12 1x2k s LEU 24 N -5.65 2.74 -0.07 1.80 2.96 0.14 -4.54 118.68 116.05 1x2k s LEU 24 Ca 0.64 -0.26 -0.14 0.00 -0.22 0.00 0.00 54.13 54.14 1x2k s LEU 24 Cb -0.10 -1.59 -0.05 0.00 0.50 0.00 0.00 46.19 44.94 1x2k s LEU 24 CO 0.50 0.24 0.35 -0.47 -1.32 0.00 0.00 176.35 175.65 1x2k s TYR 25 N -0.11 3.61 0.18 5.38 6.14 -1.26 -4.61 117.35 126.68 1x2k s TYR 25 Ca -0.01 0.82 -0.02 0.00 0.64 0.00 0.00 57.07 58.50 1x2k s TYR 25 Cb -0.14 -2.30 -0.04 0.00 0.42 0.00 0.00 41.96 39.91 1x2k s TYR 25 CO 0.03 0.48 0.12 -0.59 0.64 0.00 0.00 175.55 176.24 1x2k s PHE 26 N -0.42 1.02 0.08 4.97 -0.71 -1.25 -4.91 117.98 116.76 1x2k s PHE 26 Ca 0.21 -1.30 0.09 0.00 -1.04 0.00 0.00 56.93 54.89 1x2k s PHE 26 Cb -0.15 -0.50 -0.04 0.00 -1.21 0.00 0.00 43.02 41.13 1x2k s PHE 26 CO 0.09 -0.61 -0.22 -1.21 -1.34 0.00 0.00 175.22 171.93 1x2k s GLU 27 N -4.11 1.80 -0.23 1.99 2.02 -1.26 -3.06 118.70 115.83 1x2k s GLU 27 Ca 0.33 -1.14 -0.42 0.00 0.02 0.00 0.00 54.97 53.77 1x2k s GLU 27 Cb 0.07 -2.06 -0.18 0.00 0.10 0.00 0.00 34.13 32.06 1x2k s GLU 27 CO 0.08 0.50 1.51 -1.91 0.02 0.00 0.00 175.26 175.46 1x2k n GLU 28 N 1.26 0.59 -1.68 1.61 2.13 -1.26 -2.42 120.64 120.87 1x2k n GLU 28 Ca -0.17 0.22 0.00 0.00 0.66 0.00 0.00 57.16 57.87 1x2k n GLU 28 Cb 0.52 -1.80 0.00 0.00 0.27 0.00 0.00 31.44 30.43 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 3.37 0.45 2.91 8.31 0.00 -0.03 -4.90 105.19 115.30 1x2k n GLY 29 Ca 0.25 -0.40 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.69 1.87 0.63 1.61 1.11 -1.02 -4.92 116.67 113.26 1x2k s ASP 30 Ca 0.00 -0.25 -0.19 0.00 0.18 0.00 0.00 52.55 52.29 1x2k s ASP 30 Cb 0.00 -0.74 -0.02 0.00 1.07 0.00 0.00 42.92 43.23 1x2k s ASP 30 CO 0.00 -0.09 1.31 -0.63 1.18 0.00 0.00 175.17 176.94 1x2k s ILE 31 N 1.44 2.03 -0.04 0.77 -1.09 -1.26 -2.97 121.20 120.08 1x2k s ILE 31 Ca -0.01 0.02 -0.07 0.00 -2.23 0.00 0.00 60.65 58.36 1x2k s ILE 31 Cb -0.13 -3.01 0.01 0.00 -1.58 0.00 0.00 42.46 37.75 1x2k s ILE 31 CO -0.04 -0.00 0.18 -0.63 -1.23 0.00 0.00 174.94 173.21 1x2k s ILE 32 N -1.37 0.04 -0.43 2.92 1.01 0.19 -4.61 121.20 118.94 1x2k s ILE 32 Ca 0.80 -0.29 -0.08 0.00 0.00 0.00 0.00 60.65 61.08 1x2k s ILE 32 Cb -0.38 -0.35 0.09 0.00 0.01 0.00 0.00 42.46 41.83 1x2k s ILE 32 CO 0.42 -0.16 0.27 -0.31 0.00 0.00 0.00 174.94 175.15 1x2k s TYR 33 N -0.54 3.38 -0.47 3.97 1.51 -0.82 -0.92 117.35 123.46 1x2k s TYR 33 Ca -0.06 -1.72 -0.15 0.00 -1.01 0.00 0.00 57.07 54.13 1x2k s TYR 33 Cb -0.04 -3.09 0.08 0.00 -0.11 0.00 0.00 41.96 38.79 1x2k s TYR 33 CO 0.01 -0.90 0.39 0.42 -1.11 0.00 0.00 175.55 174.36 1x2k s ILE 34 N 1.37 5.13 -0.14 2.71 -1.09 -0.76 -1.69 121.20 126.73 1x2k s ILE 34 Ca 0.04 -1.14 0.14 0.00 -2.23 0.00 0.00 60.65 57.46 1x2k s ILE 34 Cb -0.24 -4.09 -0.19 0.00 -1.58 0.00 0.00 42.46 36.36 1x2k s ILE 34 CO 0.01 -0.60 0.07 0.35 -1.23 0.00 0.00 174.94 173.54 1x2k n THR 35 N 5.18 0.97 -3.65 2.92 -2.24 -1.23 -2.26 114.28 113.97 1x2k n THR 35 Ca -0.12 -0.63 -0.39 0.00 -2.27 0.00 0.00 64.05 60.64 1x2k n THR 35 Cb 0.43 -0.54 -0.12 0.00 -2.10 0.00 0.00 70.33 68.00 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 -4.80 5.56 -0.33 3.42 1.11 -1.16 -4.94 116.67 115.52 1x2k s ASP 36 Ca -0.07 -0.91 0.08 0.00 0.18 0.00 0.00 52.55 51.83 1x2k s ASP 36 Cb 0.05 -1.98 0.45 0.00 1.07 0.00 0.00 42.92 42.51 1x2k s ASP 36 CO 0.63 -0.32 1.15 0.23 1.18 0.00 0.00 175.17 178.04 1x2k n MET 37 N 4.95 3.35 0.16 8.23 2.81 -1.26 -2.07 117.12 133.29 1x2k n MET 37 Ca -0.13 -4.20 0.01 0.00 -1.81 0.00 0.00 57.70 51.58 1x2k n MET 37 Cb 0.47 -2.19 0.27 0.00 -0.71 0.00 0.00 33.22 31.06 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 2.36 0.00 -4.24 7.83 0.87 -1.93 -3.37 113.55 115.08 1x2k h SER 38 Ca 0.30 -0.00 -0.64 0.00 -1.23 0.00 0.00 61.79 60.22 1x2k h SER 38 Cb 1.33 -0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 62.88 1x2k h SER 38 CO 0.74 0.49 -0.64 -1.81 -0.53 0.00 0.00 176.83 175.07 1x2k s ASP 39 N -6.90 4.22 0.51 6.23 1.01 -1.25 -4.96 116.67 115.54 1x2k s ASP 39 Ca -0.02 -2.98 0.43 0.00 0.71 0.00 0.00 52.55 50.69 1x2k s ASP 39 Cb 0.14 -1.55 1.63 0.00 1.01 0.00 0.00 42.92 44.14 1x2k s ASP 39 CO 0.74 -0.23 1.57 0.35 0.21 0.00 0.00 175.17 177.81 1x2k n THR 40 N 3.15 -0.11 -0.03 -1.27 -2.24 -1.26 0.15 114.28 112.65 1x2k n THR 40 Ca 0.06 1.64 -0.15 0.00 -2.27 0.00 0.00 64.05 63.33 1x2k n THR 40 Cb 0.32 -2.71 -0.09 0.00 -2.10 0.00 0.00 70.33 65.76 1x2k n THR 40 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1x2k h ASN 41 N 0.00 0.44 -3.69 3.42 -0.26 -1.95 -3.40 115.58 110.13 1x2k h ASN 41 Ca 0.92 -0.62 -0.63 0.00 -0.56 0.00 0.00 56.30 55.40 1x2k h ASN 41 Cb 3.37 -0.13 -0.38 0.00 -1.06 0.00 0.00 38.32 40.13 1x2k h ASN 41 CO -0.22 0.99 -0.79 0.26 -1.06 0.00 0.00 177.43 176.60 1x2k s TRP 42 N -3.74 2.71 0.47 1.19 0.52 0.39 -3.59 118.94 116.89 1x2k s TRP 42 Ca -0.14 -1.94 0.00 0.00 0.02 0.00 0.00 56.10 54.04 1x2k s TRP 42 Cb 0.04 -1.71 0.00 0.00 -1.15 0.00 0.00 33.47 30.65 1x2k s TRP 42 CO 0.78 -0.81 0.69 -1.58 0.02 0.00 0.00 176.95 176.06 1x2k s TRP 43 N 1.29 3.18 -0.21 -1.98 0.51 -0.27 -3.92 118.94 117.53 1x2k s TRP 43 Ca -0.06 0.22 -0.01 0.00 -2.12 0.00 0.00 56.10 54.13 1x2k s TRP 43 Cb -0.19 -2.38 0.06 0.00 -0.81 0.00 0.00 33.47 30.15 1x2k s TRP 43 CO -0.06 -0.44 -0.01 0.21 -0.51 0.00 0.00 176.95 176.14 1x2k s LYS 44 N -4.60 1.15 0.23 4.98 2.36 -0.88 0.15 119.74 123.13 1x2k s LYS 44 Ca 0.50 -0.71 0.00 0.00 -2.55 0.00 0.00 55.97 53.20 1x2k s LYS 44 Cb -0.10 -2.36 0.00 0.00 -1.05 0.00 0.00 37.83 34.32 1x2k s LYS 44 CO 0.38 -0.62 0.30 0.41 1.55 0.00 0.00 175.35 177.37 1x2k n GLY 45 N 4.86 2.62 2.98 5.54 0.00 -1.06 -2.98 105.19 117.14 1x2k n GLY 45 Ca -0.10 -1.59 -0.24 0.00 0.00 0.00 0.00 46.02 44.08 1x2k n GLY 45 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x2k s THR 46 N -2.73 1.00 0.00 2.61 2.01 -0.68 -2.37 115.64 115.49 1x2k s THR 46 Ca 0.21 -0.38 0.00 0.00 0.31 0.00 0.00 61.69 61.83 1x2k s THR 46 Cb -0.00 -0.95 0.00 0.00 0.01 0.00 0.00 72.50 71.56 1x2k s THR 46 CO 0.15 0.33 0.00 -0.24 -0.69 0.00 0.00 174.62 174.17 1x2k n SER 47 N 4.02 0.00 -4.32 3.53 2.88 -1.19 -1.94 113.62 116.59 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 -0.06 -0.05 0.00 -0.75 0.00 0.00 64.21 63.87 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 -0.35 3.08 -0.72 -1.46 2.36 -1.26 -4.68 119.74 116.71 1x2k s LYS 48 Ca 0.00 -1.75 -0.08 0.00 -2.55 0.00 0.00 55.97 51.59 1x2k s LYS 48 Cb 0.00 -4.32 0.08 0.00 -1.05 0.00 0.00 37.83 32.54 1x2k s LYS 48 CO 0.00 -1.36 0.19 0.41 1.55 0.00 0.00 175.35 176.14 1x2k n GLY 49 N 5.10 -0.14 3.26 5.54 0.00 -1.26 -4.80 105.19 112.90 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 -3.74 0.97 -0.19 1.61 0.52 -1.26 -5.15 118.95 111.71 1x2k s ARG 50 Ca 0.26 -0.94 -0.04 0.00 -0.52 0.00 0.00 55.73 54.49 1x2k s ARG 50 Cb -0.15 0.38 0.06 0.00 0.52 0.00 0.00 34.95 35.76 1x2k s ARG 50 CO 0.41 -0.34 0.08 0.99 0.02 0.00 0.00 175.30 176.46 1x2k s THR 51 N -3.87 0.03 0.23 0.02 2.01 -1.26 -3.20 115.64 109.60 1x2k s THR 51 Ca 0.07 -0.31 -0.05 0.00 0.31 0.00 0.00 61.69 61.71 1x2k s THR 51 Cb 0.04 -0.71 0.02 0.00 0.01 0.00 0.00 72.50 71.86 1x2k s THR 51 CO -0.09 -0.32 0.38 0.61 -0.69 0.00 0.00 174.62 174.51 1x2k n GLY 52 N 5.23 2.01 3.79 4.40 0.00 -1.00 -4.98 105.19 114.64 1x2k n GLY 52 Ca -0.07 -1.37 -0.35 0.00 0.00 0.00 0.00 46.02 44.23 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 3.92 -0.01 0.99 1.43 -0.99 -2.57 118.68 121.45 1x2k s LEU 53 Ca 0.14 2.05 0.00 0.00 -1.03 0.00 0.00 54.13 55.29 1x2k s LEU 53 Cb -0.02 -4.43 0.01 0.00 0.03 0.00 0.00 46.19 41.78 1x2k s LEU 53 CO 0.10 -0.80 0.01 -0.63 0.23 0.00 0.00 176.35 175.26 1x2k s ILE 54 N -1.81 -0.01 0.05 -0.59 1.01 0.12 0.26 121.20 120.22 1x2k s ILE 54 Ca 0.65 0.08 -0.31 0.00 0.00 0.00 0.00 60.65 61.08 1x2k s ILE 54 Cb -0.21 -0.04 -0.07 0.00 0.01 0.00 0.00 42.46 42.16 1x2k s ILE 54 CO 0.25 0.04 1.41 -2.16 0.00 0.00 0.00 174.94 174.48 1x2k s PRO 55 N 0.41 4.29 0.00 2.79 0.04 -1.26 -1.12 135.00 140.15 1x2k s PRO 55 Ca -0.03 2.03 0.29 0.00 0.04 0.00 0.00 61.00 63.32 1x2k s PRO 55 Cb -0.05 -3.46 1.67 0.00 0.04 0.00 0.00 34.50 32.70 1x2k s PRO 55 CO -0.01 -0.53 2.04 -1.13 0.04 0.00 0.00 177.00 177.41 1x2k n SER 56 N 4.86 0.00 0.03 6.66 3.41 -1.24 -2.91 113.62 124.43 1x2k n SER 56 Ca 0.13 -0.77 -0.00 0.00 -0.26 0.00 0.00 58.87 57.97 1x2k n SER 56 Cb 0.43 -0.05 -0.08 0.00 -0.26 0.00 0.00 64.21 64.25 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 -1.05 0.83 0.01 4.04 4.13 -1.26 -4.25 115.26 117.71 1x2k n ASN 57 Ca 0.20 0.37 -0.19 0.00 1.68 0.00 0.00 54.58 56.63 1x2k n ASN 57 Cb 0.12 0.20 -0.14 0.00 -1.54 0.00 0.00 39.78 38.42 1x2k n ASN 57 CO 0.00 0.00 0.00 1.88 0.28 0.00 0.00 177.26 179.42 1x2k h TYR 58 N 0.00 0.42 -2.43 3.10 -1.99 -1.92 -3.48 116.97 110.68 1x2k h TYR 58 Ca -0.17 -0.31 -0.51 0.00 2.00 0.00 0.00 58.73 59.74 1x2k h TYR 58 Cb 1.59 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 40.28 1x2k h TYR 58 CO 0.00 1.66 -0.46 0.14 -0.00 0.00 0.00 178.16 179.50 1x2k s VAL 59 N -2.57 5.24 -0.01 -2.88 -7.23 -1.17 -1.65 120.40 110.13 1x2k s VAL 59 Ca -0.19 -0.82 -0.08 0.00 -1.81 0.00 0.00 61.98 59.07 1x2k s VAL 59 Cb 0.07 -3.75 0.01 0.00 0.56 0.00 0.00 36.38 33.26 1x2k s VAL 59 CO 0.78 -0.18 0.17 0.00 -0.31 0.00 0.00 175.10 175.56 1x2k s ALA 60 N -1.83 -0.40 0.10 1.32 0.00 -1.14 -4.73 121.76 115.07 1x2k s ALA 60 Ca 0.34 0.05 -0.34 0.00 0.00 0.00 0.00 51.96 52.01 1x2k s ALA 60 Cb -0.10 0.02 -0.14 0.00 0.00 0.00 0.00 23.12 22.90 1x2k s ALA 60 CO 0.28 -0.19 1.61 -1.91 0.00 0.00 0.00 175.76 175.55 1x2k n GLU 61 N 1.74 2.03 -3.04 0.00 0.00 -1.26 -3.17 120.64 116.94 1x2k n GLU 61 Ca -0.21 0.73 -0.42 0.00 0.00 0.00 0.00 57.16 57.27 1x2k n GLU 61 Cb 0.56 -2.50 -0.06 0.00 0.00 0.00 0.00 31.44 29.44 1x2k n GLU 61 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1x2k s GLN 62 N 1.49 3.60 0.55 5.31 -1.52 -1.11 -4.95 119.66 123.02 1x2k s GLN 62 Ca 0.82 0.04 -0.20 0.00 -1.95 0.00 0.00 55.36 54.08 1x2k s GLN 62 Cb -0.72 -3.85 -0.07 0.00 -0.22 0.00 0.00 33.01 28.15 1x2k s GLN 62 CO 0.42 -0.87 0.88 0.43 -0.25 0.00 0.00 175.29 175.89 1x2k n SER 63 N 6.30 0.48 0.00 5.90 7.64 -1.26 -4.90 113.62 127.77 1x2k n SER 63 Ca 0.01 0.84 0.00 0.00 1.01 0.00 0.00 58.87 60.73 1x2k n SER 63 Cb 0.48 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 1x2k n SER 63 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x2k n GLY 64 N 1.37 -0.97 3.57 0.23 0.00 -1.26 -5.08 105.19 103.06 1x2k n GLY 64 Ca 0.12 0.61 -0.27 0.00 0.00 0.00 0.00 46.02 46.47 1x2k n GLY 64 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x2k s PRO 65 N 0.00 2.53 0.24 1.61 0.04 -1.26 -4.88 135.00 133.28 1x2k s PRO 65 Ca 0.00 -0.71 0.01 0.00 0.04 0.00 0.00 61.00 60.34 1x2k s PRO 65 Cb 0.00 -5.15 -0.04 0.00 0.04 0.00 0.00 34.50 29.35 1x2k s PRO 65 CO 0.00 -3.66 0.16 -1.12 0.04 0.00 0.00 177.00 172.43 1x2k s SER 66 N 7.29 0.69 0.17 6.66 0.01 -1.26 -5.10 113.70 122.15 1x2k s SER 66 Ca 0.69 -1.49 0.00 0.00 1.31 0.00 0.00 55.95 56.46 1x2k s SER 66 Cb -0.04 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.60 1x2k s SER 66 CO 0.06 -0.89 0.00 -1.20 0.41 0.00 0.00 173.24 171.62 1x2k n SER 67 N -0.63 0.46 0.00 2.44 7.64 -1.26 -5.27 113.62 117.00 1x2k n SER 67 Ca 0.03 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.18 1x2k n SER 67 Cb 0.65 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 1x2k n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64