#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wha s SER 2 N 0.00 5.22 0.03 1.61 0.15 -1.26 -5.12 113.70 114.33 1wha s SER 2 Ca 0.00 0.13 0.01 0.00 0.70 0.00 0.00 55.95 56.79 1wha s SER 2 Cb 0.00 -0.99 -0.02 0.00 -1.71 0.00 0.00 66.02 63.30 1wha s SER 2 CO 0.00 -1.21 -0.06 -0.94 1.20 0.00 0.00 173.24 172.23 1wha s SER 3 N -4.43 0.58 0.00 5.45 1.04 -1.26 -5.01 113.70 110.07 1wha s SER 3 Ca 0.57 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.56 1wha s SER 3 Cb -0.10 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.06 1wha s SER 3 CO 0.40 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 175.04 1wha n GLY 4 N 1.79 -0.94 3.89 7.32 0.00 -1.25 -4.94 105.19 111.06 1wha n GLY 4 Ca -0.21 0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 1wha n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wha s SER 5 N -4.00 6.50 1.43 1.61 1.04 -1.26 -1.62 113.70 117.39 1wha s SER 5 Ca 0.00 0.87 -0.23 0.00 0.48 0.00 0.00 55.95 57.08 1wha s SER 5 Cb 0.00 -2.21 0.37 0.00 0.10 0.00 0.00 66.02 64.28 1wha s SER 5 CO 0.00 -0.24 0.92 -0.94 0.98 0.00 0.00 173.24 173.97 1wha s SER 6 N -3.03 -1.12 -0.31 7.02 1.04 -1.26 -4.39 113.70 111.65 1wha s SER 6 Ca 0.47 0.90 0.01 0.00 0.48 0.00 0.00 55.95 57.80 1wha s SER 6 Cb -0.11 -1.28 0.15 0.00 0.10 0.00 0.00 66.02 64.88 1wha s SER 6 CO 0.29 -5.40 0.34 -0.83 0.98 0.00 0.00 173.24 168.61 1wha s GLY 7 N -3.08 -0.22 0.55 7.32 0.00 -0.18 -4.90 107.32 106.81 1wha s GLY 7 Ca 0.68 -0.34 -0.17 0.00 0.00 0.00 0.00 44.72 44.90 1wha s GLY 7 CO 0.58 2.76 1.02 0.50 0.00 0.00 0.00 173.10 177.97 1wha s ARG 8 N 2.19 3.63 0.02 2.90 0.52 -1.26 -3.17 118.95 123.78 1wha s ARG 8 Ca 0.11 1.12 -0.27 0.00 -0.52 0.00 0.00 55.73 56.16 1wha s ARG 8 Cb -0.14 -2.08 0.09 0.00 0.52 0.00 0.00 34.95 33.34 1wha s ARG 8 CO -0.26 -0.55 0.78 -3.38 0.02 0.00 0.00 175.30 171.92 1wha s HIS 9 N -2.48 -0.45 0.17 -0.53 -3.43 -1.17 -4.99 115.29 102.41 1wha s HIS 9 Ca 0.62 0.42 0.05 0.00 -0.80 0.00 0.00 55.06 55.35 1wha s HIS 9 Cb -0.13 0.52 -0.04 0.00 -1.43 0.00 0.00 32.58 31.50 1wha s HIS 9 CO 0.33 -0.62 0.18 0.54 -2.00 0.00 0.00 174.74 173.17 1wha s VAL 10 N -2.81 4.72 -0.18 -5.38 0.11 -1.26 -1.40 120.40 114.19 1wha s VAL 10 Ca 0.01 -1.00 -0.02 0.00 -2.93 0.00 0.00 61.98 58.03 1wha s VAL 10 Cb -0.01 -3.43 0.06 0.00 -1.53 0.00 0.00 36.38 31.47 1wha s VAL 10 CO -0.06 -0.13 0.02 0.00 -3.33 0.00 0.00 175.10 171.60 1wha s ALA 11 N -1.78 1.09 -0.16 1.54 0.00 -0.93 -4.97 121.76 116.55 1wha s ALA 11 Ca 0.32 -0.70 -0.15 0.00 0.00 0.00 0.00 51.96 51.43 1wha s ALA 11 Cb -0.10 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 1wha s ALA 11 CO 0.25 -1.07 0.34 0.00 0.00 0.00 0.00 175.76 175.28 1wha s LEU 13 N 0.69 2.19 -0.60 0.00 1.43 -1.25 -5.01 118.68 116.14 1wha s LEU 13 Ca 0.18 -0.42 -0.23 0.00 -1.03 0.00 0.00 54.13 52.63 1wha s LEU 13 Cb -0.14 -0.06 0.05 0.00 0.03 0.00 0.00 46.19 46.08 1wha s LEU 13 CO 0.06 -0.19 0.95 0.00 0.23 0.00 0.00 176.35 177.40 1wha s ALA 14 N -1.11 3.14 0.47 4.21 0.00 -1.26 -3.33 121.76 123.87 1wha s ALA 14 Ca -0.10 -1.50 -0.22 0.00 0.00 0.00 0.00 51.96 50.15 1wha s ALA 14 Cb -0.08 -3.78 -0.08 0.00 0.00 0.00 0.00 23.12 19.18 1wha s ALA 14 CO -0.00 -2.55 1.09 0.50 0.00 0.00 0.00 175.76 174.80 1wha s ARG 15 N 4.00 3.81 0.02 0.00 3.00 0.32 -4.86 118.95 125.24 1wha s ARG 15 Ca 0.27 1.56 -0.04 0.00 -1.00 0.00 0.00 55.73 56.52 1wha s ARG 15 Cb -0.14 -2.29 -0.01 0.00 0.00 0.00 0.00 34.95 32.51 1wha s ARG 15 CO 0.15 -0.46 0.06 0.45 0.00 0.00 0.00 175.30 175.50 1wha s SER 16 N -1.66 0.17 0.42 -2.12 0.15 -1.26 -4.63 113.70 104.77 1wha s SER 16 Ca 0.65 -0.44 0.18 0.00 0.70 0.00 0.00 55.95 57.03 1wha s SER 16 Cb -0.23 0.18 1.10 0.00 -1.71 0.00 0.00 66.02 65.36 1wha s SER 16 CO 0.27 -0.40 1.86 1.05 1.20 0.00 0.00 173.24 177.22 1wha h GLU 17 N 4.16 0.38 0.00 5.44 -0.00 -1.97 0.42 114.58 123.01 1wha h GLU 17 Ca -0.32 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.36 59.01 1wha h GLU 17 Cb 1.19 -0.09 -0.00 0.00 -0.00 0.00 0.00 28.75 29.86 1wha h GLU 17 CO 0.45 0.25 -0.04 0.00 -0.00 0.00 0.00 179.01 179.67 1wha h ARG 18 N 0.39 0.00 0.00 1.06 2.47 -2.02 -3.46 114.38 112.82 1wha h ARG 18 Ca 0.46 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.18 1wha h ARG 18 Cb 1.16 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.48 1wha h ARG 18 CO -0.17 0.04 0.00 0.41 0.56 0.00 0.00 179.97 180.82 1wha n GLY 19 N -1.14 2.87 0.30 0.04 0.00 0.15 -4.96 105.19 102.44 1wha n GLY 19 Ca -0.03 -0.91 -0.05 0.00 0.00 0.00 0.00 46.02 45.03 1wha n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wha n LEU 20 N 0.00 -0.65 0.00 0.99 4.77 -1.24 -4.73 117.00 116.13 1wha n LEU 20 Ca 0.00 1.30 0.00 0.00 -0.03 0.00 0.00 56.01 57.28 1wha n LEU 20 Cb 0.00 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1wha n LEU 20 CO 0.00 -1.10 0.00 0.61 -1.33 0.00 0.00 177.39 175.57 1wha n GLY 21 N -1.25 2.36 3.85 -0.72 0.00 -1.26 -4.74 105.19 103.42 1wha n GLY 21 Ca 0.04 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 1wha n GLY 21 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1wha s PHE 22 N 0.00 3.46 0.38 1.61 -0.71 -1.26 -3.24 117.98 118.23 1wha s PHE 22 Ca 0.00 1.38 0.08 0.00 -1.04 0.00 0.00 56.93 57.35 1wha s PHE 22 Cb 0.00 -2.72 -0.07 0.00 -1.21 0.00 0.00 43.02 39.02 1wha s PHE 22 CO 0.00 -0.34 0.01 -1.12 -1.34 0.00 0.00 175.22 172.43 1wha s SER 23 N -3.14 3.98 0.15 1.98 0.01 0.13 -4.90 113.70 111.91 1wha s SER 23 Ca 0.57 -1.21 0.11 0.00 1.31 0.00 0.00 55.95 56.73 1wha s SER 23 Cb -0.10 -0.42 -0.04 0.00 0.21 0.00 0.00 66.02 65.66 1wha s SER 23 CO 0.32 -0.36 -0.25 0.27 0.41 0.00 0.00 173.24 173.63 1wha s ILE 24 N -2.63 2.33 0.03 1.44 -4.36 -1.26 -3.29 121.20 113.46 1wha s ILE 24 Ca 0.35 -1.83 0.01 0.00 -0.26 0.00 0.00 60.65 58.92 1wha s ILE 24 Cb 0.05 -2.06 -0.02 0.00 1.25 0.00 0.00 42.46 41.68 1wha s ILE 24 CO 0.19 0.02 -0.05 0.00 0.24 0.00 0.00 174.94 175.34 1wha s ALA 25 N -1.26 0.30 0.00 2.27 0.00 0.11 -4.74 121.76 118.44 1wha s ALA 25 Ca 0.16 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1wha s ALA 25 Cb -0.09 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.13 1wha s ALA 25 CO 0.08 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.15 1wha n GLY 26 N 1.59 1.26 5.83 0.00 0.00 -1.16 0.13 105.19 112.84 1wha n GLY 26 Ca -0.23 -0.95 0.01 0.00 0.00 0.00 0.00 46.02 44.86 1wha n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wha n GLY 27 N 0.00 -0.42 3.07 -0.02 0.00 0.10 -3.46 105.19 104.47 1wha n GLY 27 Ca 0.00 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 1wha n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wha s LYS 28 N -0.27 2.38 0.00 1.61 1.02 -1.26 -4.63 119.74 118.59 1wha s LYS 28 Ca 0.00 -1.18 0.00 0.00 0.02 0.00 0.00 55.97 54.81 1wha s LYS 28 Cb 0.00 -2.77 0.00 0.00 -0.52 0.00 0.00 37.83 34.54 1wha s LYS 28 CO 0.00 -0.48 0.00 0.41 -0.92 0.00 0.00 175.35 174.36 1wha n GLY 29 N 4.50 2.00 0.00 -3.33 0.00 -1.26 -4.00 105.19 103.09 1wha n GLY 29 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1wha n GLY 29 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wha n SER 30 N 0.00 0.00 -3.64 1.61 7.64 -1.26 -5.08 113.62 112.89 1wha n SER 30 Ca 0.00 0.10 -0.06 0.00 1.01 0.00 0.00 58.87 59.92 1wha n SER 30 Cb 0.00 -0.24 -0.07 0.00 -1.01 0.00 0.00 64.21 62.89 1wha n SER 30 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1wha s THR 31 N -0.48 0.00 -0.99 0.44 2.01 -1.22 -5.08 115.64 110.31 1wha s THR 31 Ca 0.00 0.00 -0.24 0.00 0.31 0.00 0.00 61.69 61.76 1wha s THR 31 Cb 0.00 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.45 1wha s THR 31 CO 0.00 0.00 1.95 -2.16 -0.69 0.00 0.00 174.62 173.72 1wha s PRO 32 N 0.77 2.53 0.62 4.92 0.04 -1.26 -2.99 135.00 139.62 1wha s PRO 32 Ca -0.03 -0.56 0.23 0.00 0.04 0.00 0.00 61.00 60.68 1wha s PRO 32 Cb -0.04 -5.12 1.01 0.00 0.04 0.00 0.00 34.50 30.39 1wha s PRO 32 CO -0.11 -3.58 1.49 -0.92 0.04 0.00 0.00 177.00 173.92 1wha h TYR 33 N 10.80 0.00 -2.64 0.56 3.20 -1.84 -3.36 116.97 123.69 1wha h TYR 33 Ca 0.13 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.88 1wha h TYR 33 Cb 0.98 0.00 -0.28 0.00 1.54 0.00 0.00 36.73 38.98 1wha h TYR 33 CO 1.22 0.00 -0.36 1.03 -1.64 0.00 0.00 178.16 178.40 1wha s ARG 34 N -4.37 0.32 -0.49 1.82 0.52 -1.26 -5.00 118.95 110.49 1wha s ARG 34 Ca -0.03 0.87 -0.43 0.00 -0.52 0.00 0.00 55.73 55.62 1wha s ARG 34 Cb 0.11 0.11 -0.18 0.00 0.52 0.00 0.00 34.95 35.52 1wha s ARG 34 CO 0.39 -0.21 2.15 0.00 0.02 0.00 0.00 175.30 177.65 1wha n ALA 35 N 4.85 0.29 -1.76 2.13 0.00 -1.26 0.10 120.51 124.87 1wha n ALA 35 Ca -0.15 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1wha n ALA 35 Cb 0.52 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.85 1wha n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wha n GLY 36 N 7.41 0.66 3.30 0.00 0.00 -1.26 -5.06 105.19 110.24 1wha n GLY 36 Ca 0.54 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 1wha n GLY 36 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1wha s ASP 37 N -2.85 4.07 -0.23 1.61 -4.77 0.29 -4.98 116.67 109.81 1wha s ASP 37 Ca 0.00 -0.41 0.14 0.00 -3.30 0.00 0.00 52.55 48.97 1wha s ASP 37 Cb 0.00 -1.68 0.55 0.00 -1.09 0.00 0.00 42.92 40.71 1wha s ASP 37 CO 0.00 0.02 1.49 0.00 0.70 0.00 0.00 175.17 177.38 1wha n ALA 38 N 4.50 3.58 -2.75 2.11 0.00 -1.26 -4.72 120.51 121.96 1wha n ALA 38 Ca -0.19 -2.55 0.00 0.00 0.00 0.00 0.00 53.44 50.71 1wha n ALA 38 Cb 0.51 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1wha n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wha n GLY 39 N -0.65 5.59 2.77 0.00 0.00 -1.26 -4.37 105.19 107.28 1wha n GLY 39 Ca 0.28 -1.96 -0.23 0.00 0.00 0.00 0.00 46.02 44.10 1wha n GLY 39 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wha s ILE 40 N 1.62 0.40 0.13 -0.61 1.01 -1.26 0.03 121.20 122.53 1wha s ILE 40 Ca 0.00 0.05 0.09 0.00 0.00 0.00 0.00 60.65 60.79 1wha s ILE 40 Cb 0.00 -0.59 -0.04 0.00 0.01 0.00 0.00 42.46 41.84 1wha s ILE 40 CO 0.00 0.22 -0.20 -0.36 0.00 0.00 0.00 174.94 174.60 1wha s PHE 41 N 1.96 1.86 0.01 3.97 0.40 0.12 -0.54 117.98 125.75 1wha s PHE 41 Ca 0.04 -0.43 -0.30 0.00 -0.60 0.00 0.00 56.93 55.64 1wha s PHE 41 Cb -0.13 -0.98 -0.07 0.00 0.51 0.00 0.00 43.02 42.36 1wha s PHE 41 CO -0.06 0.27 1.59 0.08 0.70 0.00 0.00 175.22 177.80 1wha s VAL 42 N -1.50 3.40 -0.03 -0.44 1.01 -0.80 0.05 120.40 122.09 1wha s VAL 42 Ca 0.11 0.72 0.21 0.00 0.00 0.00 0.00 61.98 63.02 1wha s VAL 42 Cb -0.08 -3.47 -0.33 0.00 0.00 0.00 0.00 36.38 32.50 1wha s VAL 42 CO 0.05 -0.02 0.46 -0.24 0.00 0.00 0.00 175.10 175.35 1wha n SER 43 N 6.05 0.18 -3.59 3.32 2.88 -1.21 -1.05 113.62 120.20 1wha n SER 43 Ca 0.16 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.53 1wha n SER 43 Cb 0.42 1.96 -0.07 0.00 -0.75 0.00 0.00 64.21 65.77 1wha n SER 43 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1wha s ARG 44 N -3.46 0.93 -0.03 -1.46 6.06 -1.26 -4.96 118.95 114.77 1wha s ARG 44 Ca -0.08 0.22 0.03 0.00 -2.50 0.00 0.00 55.73 53.41 1wha s ARG 44 Cb 0.13 0.44 0.00 0.00 0.06 0.00 0.00 34.95 35.58 1wha s ARG 44 CO 0.88 -0.27 -0.12 0.42 -2.50 0.00 0.00 175.30 173.71 1wha s ILE 45 N -1.05 0.99 -0.51 4.11 1.01 -1.26 -0.70 121.20 123.80 1wha s ILE 45 Ca -0.10 -0.47 -0.27 0.00 0.00 0.00 0.00 60.65 59.80 1wha s ILE 45 Cb -0.02 -0.87 -0.09 0.00 0.01 0.00 0.00 42.46 41.50 1wha s ILE 45 CO 0.08 0.30 2.42 0.00 0.00 0.00 0.00 174.94 177.73 1wha n ALA 46 N 3.25 0.87 -1.74 9.38 0.00 -1.20 -4.83 120.51 126.23 1wha n ALA 46 Ca -0.18 -0.75 -0.42 0.00 0.00 0.00 0.00 53.44 52.09 1wha n ALA 46 Cb 0.54 -3.05 -0.03 0.00 0.00 0.00 0.00 19.45 16.91 1wha n ALA 46 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1wha s GLU 47 N 8.04 4.15 0.00 0.00 2.56 -1.26 -1.68 118.70 130.51 1wha s GLU 47 Ca 1.03 2.54 0.00 0.00 0.00 0.00 0.00 54.97 58.54 1wha s GLU 47 Cb -0.34 -4.04 0.00 0.00 2.00 0.00 0.00 34.13 31.75 1wha s GLU 47 CO 0.31 -0.92 0.00 0.41 -0.56 0.00 0.00 175.26 174.50 1wha n GLY 48 N 4.42 2.77 0.00 -1.50 0.00 -1.26 -5.00 105.19 104.62 1wha n GLY 48 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1wha n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wha n GLY 49 N -0.08 -2.64 0.13 -0.02 0.00 -0.68 -4.38 105.19 97.51 1wha n GLY 49 Ca 0.00 -1.37 -0.11 0.00 0.00 0.00 0.00 46.02 44.53 1wha n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wha h ALA 50 N -2.00 0.26 -0.16 4.61 0.00 -1.85 0.11 119.26 120.23 1wha h ALA 50 Ca 0.00 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.76 1wha h ALA 50 Cb 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 1wha h ALA 50 CO 0.00 -0.04 -0.37 0.00 0.00 0.00 0.00 179.25 178.84 1wha h ALA 51 N 0.79 -0.47 0.50 0.00 0.00 -1.87 0.13 119.26 118.36 1wha h ALA 51 Ca 0.06 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1wha h ALA 51 Cb 0.37 0.71 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1wha h ALA 51 CO 0.01 -0.86 -0.24 1.25 0.00 0.00 0.00 179.25 179.41 1wha h HIS 52 N -0.43 -0.63 -0.93 0.00 6.17 -1.54 -3.27 115.15 114.51 1wha h HIS 52 Ca 0.09 -0.01 0.16 0.00 0.71 0.00 0.00 60.37 61.32 1wha h HIS 52 Cb 0.59 0.21 -0.16 0.00 2.52 0.00 0.00 27.41 30.56 1wha h HIS 52 CO -0.46 -0.32 -0.34 -0.09 0.71 0.00 0.00 177.93 177.43 1wha h ARG 53 N -1.08 -0.02 -0.99 5.26 2.43 -0.68 0.66 114.38 119.96 1wha h ARG 53 Ca -0.07 0.00 0.35 0.00 -0.81 0.00 0.00 59.98 59.45 1wha h ARG 53 Cb 0.59 0.00 -0.16 0.00 -0.42 0.00 0.00 29.97 29.98 1wha h ARG 53 CO 0.11 -0.01 0.48 0.00 -1.51 0.00 0.00 179.97 179.04 1wha h ALA 54 N 1.50 1.90 0.00 2.80 0.00 -0.79 -3.44 119.26 121.23 1wha h ALA 54 Ca 0.37 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.51 1wha h ALA 54 Cb 0.62 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1wha h ALA 54 CO -0.95 -0.71 0.00 0.41 0.00 0.00 0.00 179.25 178.00 1wha n GLY 55 N -1.31 1.76 0.30 0.00 0.00 0.23 -4.74 105.19 101.44 1wha n GLY 55 Ca 0.32 -0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.29 1wha n GLY 55 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1wha h THR 56 N 0.00 0.29 -4.15 2.61 1.35 -1.85 -3.40 112.91 107.77 1wha h THR 56 Ca 0.00 -0.05 -0.49 0.00 -0.55 0.00 0.00 66.41 65.32 1wha h THR 56 Cb 0.00 0.12 0.05 0.00 -1.73 0.00 0.00 68.15 66.60 1wha h THR 56 CO 0.00 0.03 0.39 -0.76 -0.25 0.00 0.00 175.52 174.92 1wha s LEU 57 N -10.73 3.63 -0.29 3.87 1.43 -1.26 -5.06 118.68 110.26 1wha s LEU 57 Ca -0.13 1.90 -0.20 0.00 -1.03 0.00 0.00 54.13 54.67 1wha s LEU 57 Cb 0.25 -4.55 0.15 0.00 0.03 0.00 0.00 46.19 42.07 1wha s LEU 57 CO 0.77 -1.08 1.06 0.00 0.23 0.00 0.00 176.35 177.33 1wha s GLN 58 N -3.73 0.36 -0.46 1.70 -2.07 -1.26 -4.90 119.66 109.29 1wha s GLN 58 Ca 0.66 0.53 -0.46 0.00 -1.82 0.00 0.00 55.36 54.27 1wha s GLN 58 Cb -0.17 0.12 -0.20 0.00 -1.09 0.00 0.00 33.01 31.67 1wha s GLN 58 CO 0.31 -0.06 1.59 0.28 -1.32 0.00 0.00 175.29 176.09 1wha n VAL 59 N 2.98 0.03 0.00 3.63 0.31 -1.26 -2.09 118.33 121.92 1wha n VAL 59 Ca -0.16 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1wha n VAL 59 Cb 0.57 -0.54 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 1wha n VAL 59 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wha n GLY 60 N 3.91 3.70 3.54 2.92 0.00 -0.21 -4.97 105.19 114.08 1wha n GLY 60 Ca 0.30 -0.92 -0.49 0.00 0.00 0.00 0.00 46.02 44.91 1wha n GLY 60 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wha n ASP 61 N 0.00 0.71 -4.88 1.61 8.00 -0.89 -4.39 116.55 116.71 1wha n ASP 61 Ca 0.00 1.15 -0.34 0.00 0.71 0.00 0.00 54.79 56.30 1wha n ASP 61 Cb 0.00 -1.15 -0.05 0.00 -0.02 0.00 0.00 41.12 39.90 1wha n ASP 61 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1wha s ARG 62 N -0.70 3.67 -0.50 -1.24 3.52 -1.26 -1.90 118.95 120.54 1wha s ARG 62 Ca 0.70 0.05 -0.16 0.00 -0.13 0.00 0.00 55.73 56.19 1wha s ARG 62 Cb -0.88 -3.03 0.10 0.00 -1.56 0.00 0.00 34.95 29.58 1wha s ARG 62 CO 0.55 0.60 0.45 0.08 -0.81 0.00 0.00 175.30 176.16 1wha s VAL 63 N -1.36 5.21 0.01 7.11 1.01 0.29 -2.58 120.40 130.10 1wha s VAL 63 Ca 0.31 -1.23 -0.25 0.00 0.00 0.00 0.00 61.98 60.81 1wha s VAL 63 Cb -0.14 -4.22 -0.18 0.00 0.00 0.00 0.00 36.38 31.84 1wha s VAL 63 CO 0.17 -0.71 1.36 -0.07 0.00 0.00 0.00 175.10 175.86 1wha h LEU 64 N 8.85 -0.10 -8.09 3.92 3.38 -1.15 -3.40 115.31 118.72 1wha h LEU 64 Ca -0.29 -0.29 -0.17 0.00 0.09 0.00 0.00 57.88 57.22 1wha h LEU 64 Cb 1.11 0.02 -0.19 0.00 0.09 0.00 0.00 40.66 41.69 1wha h LEU 64 CO 0.95 0.25 -0.70 -0.94 0.09 0.00 0.00 178.44 178.09 1wha s SER 65 N -5.41 0.40 -0.11 -0.43 1.04 -1.25 -0.38 113.70 107.56 1wha s SER 65 Ca -0.15 -0.67 -0.00 0.00 0.48 0.00 0.00 55.95 55.61 1wha s SER 65 Cb 0.03 0.12 0.02 0.00 0.10 0.00 0.00 66.02 66.29 1wha s SER 65 CO 0.64 -0.39 -0.09 -0.63 0.98 0.00 0.00 173.24 173.75 1wha s ILE 66 N -2.27 1.07 -1.39 -1.02 1.01 0.16 -1.25 121.20 117.52 1wha s ILE 66 Ca -0.08 -0.33 -0.03 0.00 0.00 0.00 0.00 60.65 60.22 1wha s ILE 66 Cb -0.04 -1.07 0.00 0.00 0.01 0.00 0.00 42.46 41.36 1wha s ILE 66 CO -0.04 0.37 0.35 -3.20 0.00 0.00 0.00 174.94 172.43 1wha n ASN 67 N 4.79 -5.36 0.00 3.58 2.85 0.77 -1.74 115.26 120.14 1wha n ASN 67 Ca -0.14 -0.17 0.00 0.00 -0.11 0.00 0.00 54.58 54.16 1wha n ASN 67 Cb 0.50 -4.28 0.00 0.00 1.24 0.00 0.00 39.78 37.24 1wha n ASN 67 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wha n GLY 68 N -1.28 0.46 3.30 8.20 0.00 -1.26 -4.98 105.19 109.63 1wha n GLY 68 Ca -0.13 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 1wha n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wha s VAL 69 N -2.00 2.73 -0.40 1.61 1.01 -0.71 -5.07 120.40 117.56 1wha s VAL 69 Ca 0.00 -0.76 -0.28 0.00 0.00 0.00 0.00 61.98 60.94 1wha s VAL 69 Cb 0.00 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 1wha s VAL 69 CO 0.00 0.52 1.64 -0.62 0.00 0.00 0.00 175.10 176.64 1wha s ASP 70 N 0.60 6.00 -0.26 3.32 2.15 -1.26 0.38 116.67 127.59 1wha s ASP 70 Ca -0.09 0.97 0.09 0.00 0.43 0.00 0.00 52.55 53.95 1wha s ASP 70 Cb -0.16 -2.53 0.45 0.00 -0.30 0.00 0.00 42.92 40.38 1wha s ASP 70 CO 0.03 -1.68 1.19 1.33 -0.17 0.00 0.00 175.17 175.87 1wha n VAL 71 N 7.24 2.33 -0.24 1.11 0.24 0.49 -4.80 118.33 124.69 1wha n VAL 71 Ca 0.20 -3.86 -0.06 0.00 -2.04 0.00 0.00 64.34 58.58 1wha n VAL 71 Cb 0.48 -0.74 0.05 0.00 -1.47 0.00 0.00 33.84 32.15 1wha n VAL 71 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1wha h THR 72 N 2.24 1.21 -0.04 3.34 1.35 -1.49 -3.16 112.91 116.36 1wha h THR 72 Ca 0.24 -0.53 -0.06 0.00 -0.55 0.00 0.00 66.41 65.52 1wha h THR 72 Cb 1.41 0.34 -0.09 0.00 -1.73 0.00 0.00 68.15 68.08 1wha h THR 72 CO 0.54 0.23 -0.61 -0.62 -0.25 0.00 0.00 175.52 174.81 1wha n GLU 73 N -4.52 1.44 -2.69 4.72 1.02 -1.26 -4.11 120.64 115.24 1wha n GLU 73 Ca 0.05 -3.15 -0.30 0.00 -0.02 0.00 0.00 57.16 53.75 1wha n GLU 73 Cb 0.09 -1.39 -0.02 0.00 -0.02 0.00 0.00 31.44 30.09 1wha n GLU 73 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wha s ALA 74 N -2.75 3.31 1.21 0.62 0.00 -1.20 -5.00 121.76 117.96 1wha s ALA 74 Ca 0.38 -0.21 -0.17 0.00 0.00 0.00 0.00 51.96 51.95 1wha s ALA 74 Cb 0.37 -2.75 0.29 0.00 0.00 0.00 0.00 23.12 21.03 1wha s ALA 74 CO -0.08 -0.15 1.05 1.03 0.00 0.00 0.00 175.76 177.60 1wha s ARG 75 N -4.15 -1.26 -0.03 0.00 0.52 -1.26 -4.27 118.95 108.50 1wha s ARG 75 Ca 0.52 0.28 -0.21 0.00 -0.52 0.00 0.00 55.73 55.79 1wha s ARG 75 Cb -0.10 -1.56 -0.14 0.00 0.52 0.00 0.00 34.95 33.66 1wha s ARG 75 CO 0.36 -3.81 0.93 1.25 0.02 0.00 0.00 175.30 174.05 1wha h HIS 76 N -2.66 -0.34 0.00 -0.53 -0.00 -1.83 -2.55 115.15 107.23 1wha h HIS 76 Ca -0.51 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 59.84 1wha h HIS 76 Cb 1.32 0.11 -0.00 0.00 -0.00 0.00 0.00 27.41 28.84 1wha h HIS 76 CO -1.38 0.01 -0.10 -0.44 -0.00 0.00 0.00 177.93 176.03 1wha h ASP 77 N -0.91 0.00 0.32 3.26 3.32 -1.94 -1.43 116.42 119.04 1wha h ASP 77 Ca -0.04 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1wha h ASP 77 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1wha h ASP 77 CO 0.06 0.10 -0.15 -0.74 -1.72 0.00 0.00 179.24 176.79 1wha h HIS 78 N 0.00 -0.39 -0.68 4.55 2.76 -1.92 -1.75 115.15 117.72 1wha h HIS 78 Ca -0.00 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.13 1wha h HIS 78 Cb 0.19 0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.25 1wha h HIS 78 CO 0.00 -0.07 0.29 0.00 -1.30 0.00 0.00 177.93 176.85 1wha h ALA 79 N -0.20 0.88 -0.86 5.26 0.00 -1.25 -2.68 119.26 120.42 1wha h ALA 79 Ca -0.04 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.72 1wha h ALA 79 Cb 0.50 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1wha h ALA 79 CO 0.07 0.48 0.57 0.28 0.00 0.00 0.00 179.25 180.65 1wha h VAL 80 N 0.96 1.18 -1.03 0.00 2.07 -1.28 -2.04 116.25 116.12 1wha h VAL 80 Ca 0.23 -0.38 0.30 0.00 0.82 0.00 0.00 66.70 67.66 1wha h VAL 80 Cb 0.18 -0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 29.87 1wha h VAL 80 CO -0.02 0.20 1.10 -1.28 0.02 0.00 0.00 177.57 177.59 1wha h SER 81 N 1.12 0.00 0.40 0.57 0.87 -0.95 1.93 113.55 117.50 1wha h SER 81 Ca 0.33 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.58 1wha h SER 81 Cb -0.06 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 61.85 1wha h SER 81 CO -0.08 0.00 -1.79 0.18 -0.53 0.00 0.00 176.83 174.60 1wha n LEU 82 N -3.42 1.18 0.00 2.23 4.77 -0.77 -3.66 117.00 117.34 1wha n LEU 82 Ca 0.23 0.36 -0.11 0.00 -0.03 0.00 0.00 56.01 56.46 1wha n LEU 82 Cb 1.42 -0.06 -0.09 0.00 -2.33 0.00 0.00 43.42 42.36 1wha n LEU 82 CO 0.27 0.48 0.39 -0.07 -1.33 0.00 0.00 177.39 177.13 1wha h LEU 83 N 0.01 -0.09 -2.29 2.23 3.38 0.28 -3.19 115.31 115.64 1wha h LEU 83 Ca -0.32 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.14 1wha h LEU 83 Cb 2.03 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.80 1wha h LEU 83 CO 0.08 0.57 0.00 0.71 0.09 0.00 0.00 178.44 179.89 1wha h THR 84 N -0.86 0.00 -2.03 0.22 1.35 -0.85 -3.44 112.91 107.31 1wha h THR 84 Ca -0.01 -0.00 -0.50 0.00 -0.55 0.00 0.00 66.41 65.35 1wha h THR 84 Cb 0.60 0.76 0.24 0.00 -1.73 0.00 0.00 68.15 68.02 1wha h THR 84 CO 0.02 0.00 -1.69 0.00 -0.25 0.00 0.00 175.52 173.60 1wha n ALA 85 N -1.94 -4.71 -1.69 6.62 0.00 -1.21 -4.86 120.51 112.72 1wha n ALA 85 Ca -0.02 -1.08 -0.36 0.00 0.00 0.00 0.00 53.44 51.98 1wha n ALA 85 Cb 0.05 -1.26 0.05 0.00 0.00 0.00 0.00 19.45 18.30 1wha n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wha n ALA 86 N -3.58 6.29 -2.72 0.00 0.00 -1.26 -4.97 120.51 114.26 1wha n ALA 86 Ca 0.00 -3.83 -0.35 0.00 0.00 0.00 0.00 53.44 49.27 1wha n ALA 86 Cb 0.64 -1.73 -0.09 0.00 0.00 0.00 0.00 19.45 18.26 1wha n ALA 86 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1wha s SER 87 N -1.69 5.34 0.16 0.00 1.04 -1.26 -5.02 113.70 112.27 1wha s SER 87 Ca 0.58 0.16 -0.09 0.00 0.48 0.00 0.00 55.95 57.08 1wha s SER 87 Cb 0.47 -1.56 0.01 0.00 0.10 0.00 0.00 66.02 65.03 1wha s SER 87 CO -0.20 0.36 1.50 1.55 0.98 0.00 0.00 173.24 177.43 1wha h PRO 88 N 5.28 0.86 -5.89 4.02 0.13 -1.94 -3.39 132.00 131.07 1wha h PRO 88 Ca -0.50 -0.46 -0.65 0.00 -0.87 0.00 0.00 66.00 63.53 1wha h PRO 88 Cb 1.19 0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.27 1wha h PRO 88 CO 0.56 1.10 -0.53 0.95 -0.23 0.00 0.00 178.00 179.85 1wha s THR 89 N -4.35 5.12 -0.23 1.56 -4.23 -1.26 -0.52 115.64 111.72 1wha s THR 89 Ca -0.10 -0.27 -0.03 0.00 -1.18 0.00 0.00 61.69 60.11 1wha s THR 89 Cb 0.11 -3.37 0.11 0.00 1.34 0.00 0.00 72.50 70.70 1wha s THR 89 CO 0.87 0.34 0.28 -0.63 -0.54 0.00 0.00 174.62 174.94 1wha s ILE 90 N -1.26 -0.42 -0.51 2.99 1.01 -1.21 -4.93 121.20 116.87 1wha s ILE 90 Ca 0.25 -0.19 -0.24 0.00 0.00 0.00 0.00 60.65 60.47 1wha s ILE 90 Cb -0.12 -0.79 0.04 0.00 0.01 0.00 0.00 42.46 41.60 1wha s ILE 90 CO 0.16 -0.25 0.89 0.00 0.00 0.00 0.00 174.94 175.75 1wha s ALA 91 N 2.39 3.21 -0.30 9.38 0.00 -1.26 -3.77 121.76 131.42 1wha s ALA 91 Ca 0.09 -1.15 -0.07 0.00 0.00 0.00 0.00 51.96 50.84 1wha s ALA 91 Cb -0.15 -3.65 0.01 0.00 0.00 0.00 0.00 23.12 19.33 1wha s ALA 91 CO -0.18 -2.23 0.08 -0.51 0.00 0.00 0.00 175.76 172.92 1wha s LEU 92 N 3.72 3.85 -0.28 0.00 1.43 -1.16 -0.16 118.68 126.08 1wha s LEU 92 Ca 0.31 -0.75 -0.28 0.00 -1.03 0.00 0.00 54.13 52.38 1wha s LEU 92 Cb -0.12 -1.87 0.01 0.00 0.03 0.00 0.00 46.19 44.24 1wha s LEU 92 CO 0.21 -0.20 0.98 -0.22 0.23 0.00 0.00 176.35 177.35 1wha s LEU 93 N 1.48 4.03 0.37 1.79 0.20 -0.38 -2.19 118.68 123.99 1wha s LEU 93 Ca 0.02 1.10 0.08 0.00 0.69 0.00 0.00 54.13 56.01 1wha s LEU 93 Cb -0.17 -3.42 -0.02 0.00 -0.43 0.00 0.00 46.19 42.15 1wha s LEU 93 CO 0.02 -0.72 0.34 -0.76 -0.29 0.00 0.00 176.35 174.95 1wha s LEU 94 N 3.28 3.54 -0.07 -0.68 1.43 -0.49 -0.57 118.68 125.12 1wha s LEU 94 Ca 0.41 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 1wha s LEU 94 Cb -0.14 -2.19 0.02 0.00 0.03 0.00 0.00 46.19 43.91 1wha s LEU 94 CO 0.11 -0.49 -0.08 -0.70 0.23 0.00 0.00 176.35 175.41 1wha s GLU 95 N -4.07 1.36 -0.12 1.70 2.12 -1.06 -3.04 118.70 115.59 1wha s GLU 95 Ca 0.44 -0.27 0.00 0.00 0.36 0.00 0.00 54.97 55.51 1wha s GLU 95 Cb -0.05 -1.26 -0.02 0.00 0.26 0.00 0.00 34.13 33.06 1wha s GLU 95 CO 0.27 -0.08 -0.13 0.50 -0.54 0.00 0.00 175.26 175.28 1wha s ARG 96 N 1.01 3.28 -0.04 4.30 6.06 -1.19 -4.29 118.95 128.09 1wha s ARG 96 Ca -0.09 -0.69 -0.13 0.00 -2.50 0.00 0.00 55.73 52.32 1wha s ARG 96 Cb -0.15 -2.60 -0.05 0.00 0.06 0.00 0.00 34.95 32.22 1wha s ARG 96 CO -0.00 0.26 0.35 -1.21 -2.50 0.00 0.00 175.30 172.20 1wha s GLU 97 N 0.23 3.88 0.00 5.12 8.01 -1.26 -1.01 118.70 133.67 1wha s GLU 97 Ca -0.09 0.29 0.00 0.00 0.01 0.00 0.00 54.97 55.19 1wha s GLU 97 Cb -0.15 -3.24 0.00 0.00 -4.31 0.00 0.00 34.13 26.42 1wha s GLU 97 CO 0.05 0.64 0.00 0.00 0.01 0.00 0.00 175.26 175.97 1wha n ALA 98 N 2.08 1.92 -2.17 5.21 0.00 -1.26 -4.82 120.51 121.48 1wha n ALA 98 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.98 1wha n ALA 98 Cb 0.53 0.32 0.02 0.00 0.00 0.00 0.00 19.45 20.32 1wha n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wha n GLY 99 N 2.88 5.89 3.59 0.00 0.00 -0.64 -3.76 105.19 113.15 1wha n GLY 99 Ca 0.00 -2.64 -0.13 0.00 0.00 0.00 0.00 46.02 43.25 1wha n GLY 99 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wha s SER 100 N -2.66 -0.58 -0.37 1.61 0.15 -1.26 -4.97 113.70 105.63 1wha s SER 100 Ca 0.51 0.89 -0.10 0.00 0.70 0.00 0.00 55.95 57.95 1wha s SER 100 Cb 0.42 0.83 0.01 0.00 -1.71 0.00 0.00 66.02 65.57 1wha s SER 100 CO -0.22 -0.35 0.37 0.61 1.20 0.00 0.00 173.24 174.84 1wha n GLY 101 N 1.66 -2.34 3.77 9.45 0.00 -1.26 -4.97 105.19 111.50 1wha n GLY 101 Ca -0.14 0.93 -0.34 0.00 0.00 0.00 0.00 46.02 46.47 1wha n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wha s PRO 102 N -2.18 2.97 1.06 1.61 0.04 -1.26 -5.05 135.00 132.19 1wha s PRO 102 Ca 0.15 1.45 -0.18 0.00 0.04 0.00 0.00 61.00 62.47 1wha s PRO 102 Cb -0.04 -1.97 0.24 0.00 0.04 0.00 0.00 34.50 32.77 1wha s PRO 102 CO 0.74 -1.13 1.25 -1.54 0.04 0.00 0.00 177.00 176.36 1wha s SER 103 N -2.35 2.18 1.41 6.66 1.04 -1.26 -5.04 113.70 116.34 1wha s SER 103 Ca 0.69 0.37 -0.22 0.00 0.48 0.00 0.00 55.95 57.26 1wha s SER 103 Cb -0.21 -0.46 0.36 0.00 0.10 0.00 0.00 66.02 65.81 1wha s SER 103 CO 0.37 -3.32 0.93 -0.94 0.98 0.00 0.00 173.24 171.26 1wha s SER 104 N -4.54 -0.99 0.00 7.02 1.04 -1.26 -5.29 113.70 109.68 1wha s SER 104 Ca 0.73 0.91 0.00 0.00 0.48 0.00 0.00 55.95 58.08 1wha s SER 104 Cb -0.05 -1.31 0.00 0.00 0.10 0.00 0.00 66.02 64.76 1wha s SER 104 CO 0.54 -5.33 0.00 0.61 0.98 0.00 0.00 173.24 170.05