#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 6.69 -0.07 1.61 0.01 -1.26 -4.92 113.70 115.76 1wha s SER 2 Ca 0.00 0.58 -0.24 0.00 1.31 0.00 0.00 55.95 57.59 1wha s SER 2 Cb 0.00 -2.49 -0.29 0.00 0.21 0.00 0.00 66.02 63.45 1wha s SER 2 CO 0.00 -0.96 0.87 0.28 0.41 0.00 0.00 173.24 173.84 1wha h SER 3 N 8.63 0.32 0.00 2.44 0.02 -2.05 -3.49 113.55 119.42 1wha h SER 3 Ca -0.23 -0.95 0.00 0.00 -0.84 0.00 0.00 61.79 59.77 1wha h SER 3 Cb 1.07 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.51 1wha h SER 3 CO 1.02 1.25 0.00 0.61 -1.14 0.00 0.00 176.83 178.57 1wha n GLY 4 N 1.60 0.76 3.40 -3.77 0.00 -1.26 -5.15 105.19 100.76 1wha n GLY 4 Ca -0.12 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 45.00 1wha n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wha s SER 5 N -0.50 3.15 0.68 1.61 0.01 -1.26 -4.72 113.70 112.67 1wha s SER 5 Ca 0.00 -0.93 -0.17 0.00 1.31 0.00 0.00 55.95 56.17 1wha s SER 5 Cb 0.00 -0.22 -0.05 0.00 0.21 0.00 0.00 66.02 65.96 1wha s SER 5 CO 0.00 0.02 0.60 -1.54 0.41 0.00 0.00 173.24 172.73 1wha n SER 6 N -0.04 -0.87 -3.29 2.44 3.41 -1.26 -4.57 113.62 109.44 1wha n SER 6 Ca -0.10 0.64 -0.05 0.00 -0.26 0.00 0.00 58.87 59.10 1wha n SER 6 Cb 0.58 -1.24 -0.06 0.00 -0.26 0.00 0.00 64.21 63.23 1wha n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wha s GLY 7 N -1.41 -0.60 0.37 5.00 0.00 -0.36 -4.98 107.32 105.34 1wha s GLY 7 Ca 0.68 1.11 -0.22 0.00 0.00 0.00 0.00 44.72 46.28 1wha s GLY 7 CO 0.56 2.90 0.92 0.50 0.00 0.00 0.00 173.10 177.98 1wha s ARG 8 N 2.63 4.35 0.35 2.90 0.52 -1.26 -2.91 118.95 125.54 1wha s ARG 8 Ca 0.15 1.16 -0.02 0.00 -0.52 0.00 0.00 55.73 56.49 1wha s ARG 8 Cb -0.15 -2.48 0.00 0.00 0.52 0.00 0.00 34.95 32.85 1wha s ARG 8 CO -0.18 0.13 0.48 -3.38 0.02 0.00 0.00 175.30 172.36 1wha s HIS 9 N -1.91 1.09 0.04 -0.53 -3.43 -1.02 -4.98 115.29 104.55 1wha s HIS 9 Ca 0.56 -1.31 0.09 0.00 -0.80 0.00 0.00 55.06 53.60 1wha s HIS 9 Cb -0.13 -0.09 -0.03 0.00 -1.43 0.00 0.00 32.58 30.90 1wha s HIS 9 CO 0.18 -1.15 -0.26 0.54 -2.00 0.00 0.00 174.74 172.05 1wha s VAL 10 N -3.00 2.15 -0.22 -5.38 0.11 -1.26 -2.83 120.40 109.97 1wha s VAL 10 Ca 0.31 -1.37 -0.00 0.00 -2.93 0.00 0.00 61.98 57.98 1wha s VAL 10 Cb -0.01 -1.83 0.06 0.00 -1.53 0.00 0.00 36.38 33.07 1wha s VAL 10 CO 0.21 0.38 -0.04 0.00 -3.33 0.00 0.00 175.10 172.31 1wha s ALA 11 N -0.80 1.74 -0.35 1.54 0.00 -1.10 -4.95 121.76 117.84 1wha s ALA 11 Ca 0.12 -1.17 -0.03 0.00 0.00 0.00 0.00 51.96 50.87 1wha s ALA 11 Cb -0.10 -1.35 0.07 0.00 0.00 0.00 0.00 23.12 21.75 1wha s ALA 11 CO 0.02 -1.13 0.10 0.00 0.00 0.00 0.00 175.76 174.75 1wha s LEU 13 N 1.24 2.33 -0.05 0.00 1.43 -1.26 -4.96 118.68 117.42 1wha s LEU 13 Ca 0.01 -1.33 -0.30 0.00 -1.03 0.00 0.00 54.13 51.47 1wha s LEU 13 Cb -0.21 -0.49 -0.05 0.00 0.03 0.00 0.00 46.19 45.47 1wha s LEU 13 CO -0.02 -0.53 1.53 0.00 0.23 0.00 0.00 176.35 177.57 1wha s ALA 14 N -3.17 3.62 0.23 4.21 0.00 -1.26 -4.00 121.76 121.38 1wha s ALA 14 Ca 0.35 0.88 -0.30 0.00 0.00 0.00 0.00 51.96 52.88 1wha s ALA 14 Cb 0.08 -3.69 -0.10 0.00 0.00 0.00 0.00 23.12 19.41 1wha s ALA 14 CO 0.15 -1.22 1.50 0.50 0.00 0.00 0.00 175.76 176.69 1wha s ARG 15 N 3.43 4.23 0.07 0.00 3.52 -0.02 -4.71 118.95 125.48 1wha s ARG 15 Ca 0.68 2.36 0.06 0.00 -0.13 0.00 0.00 55.73 58.70 1wha s ARG 15 Cb -0.32 -3.11 -0.03 0.00 -1.56 0.00 0.00 34.95 29.93 1wha s ARG 15 CO 0.27 -0.51 -0.15 -1.12 -0.81 0.00 0.00 175.30 172.97 1wha s SER 16 N 0.63 1.83 0.00 -2.12 0.01 -1.26 -4.90 113.70 107.89 1wha s SER 16 Ca 0.63 -0.62 0.05 0.00 1.31 0.00 0.00 55.95 57.33 1wha s SER 16 Cb -0.43 -0.07 0.22 0.00 0.21 0.00 0.00 66.02 65.95 1wha s SER 16 CO 0.40 -0.04 1.16 -1.84 0.41 0.00 0.00 173.24 173.32 1wha n GLU 17 N 1.30 0.00 0.07 12.44 0.00 -1.26 -0.87 120.64 132.32 1wha n GLU 17 Ca -0.21 0.40 0.12 0.00 0.00 0.00 0.00 57.16 57.48 1wha n GLU 17 Cb 0.54 -1.50 0.25 0.00 0.00 0.00 0.00 31.44 30.73 1wha n GLU 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1wha n ARG 18 N -1.49 0.26 0.00 3.44 1.74 -1.26 -4.92 116.66 114.44 1wha n ARG 18 Ca 0.01 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 1wha n ARG 18 Cb 0.06 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 29.80 1wha n ARG 18 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wha n GLY 19 N 1.34 0.97 2.39 -0.13 0.00 -0.05 -4.61 105.19 105.10 1wha n GLY 19 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.48 0.00 0.99 4.77 -1.07 -2.95 117.00 117.26 1wha n LEU 20 Ca 0.00 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1wha n LEU 20 Cb 0.00 -2.58 0.00 0.00 -2.33 0.00 0.00 43.42 38.51 1wha n LEU 20 CO 0.00 -0.52 0.00 0.61 -1.33 0.00 0.00 177.39 176.15 1wha n GLY 21 N -0.66 1.99 3.87 -0.72 0.00 -1.26 -4.58 105.19 103.83 1wha n GLY 21 Ca -0.19 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 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 3.48 0.39 1.61 -0.12 -1.15 -2.88 117.98 119.31 1wha s PHE 22 Ca 0.00 0.86 0.08 0.00 -0.05 0.00 0.00 56.93 57.82 1wha s PHE 22 Cb 0.00 -2.24 -0.01 0.00 -0.63 0.00 0.00 43.02 40.14 1wha s PHE 22 CO 0.00 0.35 0.46 0.45 -0.05 0.00 0.00 175.22 176.42 1wha s SER 23 N -2.17 5.48 0.15 1.98 0.15 0.26 -4.77 113.70 114.77 1wha s SER 23 Ca 0.43 -0.49 0.11 0.00 0.70 0.00 0.00 55.95 56.70 1wha s SER 23 Cb -0.12 -0.77 -0.04 0.00 -1.71 0.00 0.00 66.02 63.37 1wha s SER 23 CO 0.21 -0.62 -0.24 0.27 1.20 0.00 0.00 173.24 174.06 1wha s ILE 24 N -2.35 2.19 -0.11 6.45 -4.36 -1.26 -3.01 121.20 118.74 1wha s ILE 24 Ca 0.49 -1.85 -0.07 0.00 -0.26 0.00 0.00 60.65 58.96 1wha s ILE 24 Cb -0.07 -1.98 0.04 0.00 1.25 0.00 0.00 42.46 41.70 1wha s ILE 24 CO 0.30 -0.04 0.28 0.00 0.24 0.00 0.00 174.94 175.72 1wha s ALA 25 N -1.38 -0.67 0.00 2.27 0.00 0.13 -4.75 121.76 117.35 1wha s ALA 25 Ca 0.16 0.98 0.00 0.00 0.00 0.00 0.00 51.96 53.10 1wha s ALA 25 Cb -0.09 -0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.43 1wha s ALA 25 CO 0.07 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.06 1wha n GLY 26 N 3.72 4.34 2.90 0.00 0.00 -0.98 0.01 105.19 115.17 1wha n GLY 26 Ca -0.20 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 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 -4.10 3.63 -0.02 0.00 -0.16 -4.09 105.19 100.44 1wha n GLY 27 Ca 0.00 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.67 4.09 0.00 1.61 1.02 -1.26 -3.67 119.74 119.85 1wha s LYS 28 Ca 0.42 0.81 0.00 0.00 0.02 0.00 0.00 55.97 57.21 1wha s LYS 28 Cb -0.24 -3.68 0.00 0.00 -0.52 0.00 0.00 37.83 33.38 1wha s LYS 28 CO 0.75 -0.61 0.00 0.41 -0.92 0.00 0.00 175.35 174.98 1wha n GLY 29 N 3.94 2.04 0.07 -3.33 0.00 -1.26 -3.49 105.19 103.16 1wha n GLY 29 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.24 -5.08 113.62 112.91 1wha n SER 30 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 1wha n SER 30 Cb 0.00 -0.19 -0.07 0.00 -1.01 0.00 0.00 64.21 62.94 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 -0.45 0.00 -1.07 0.44 2.01 -1.25 -5.09 115.64 110.23 1wha s THR 31 Ca 0.00 0.00 -0.23 0.00 0.31 0.00 0.00 61.69 61.77 1wha s THR 31 Cb 0.00 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.44 1wha s THR 31 CO 0.00 0.00 1.94 -2.16 -0.69 0.00 0.00 174.62 173.71 1wha s PRO 32 N 0.83 2.53 0.41 4.92 0.04 -1.26 -2.33 135.00 140.14 1wha s PRO 32 Ca -0.03 -0.82 0.36 0.00 0.04 0.00 0.00 61.00 60.55 1wha s PRO 32 Cb -0.04 -5.17 1.31 0.00 0.04 0.00 0.00 34.50 30.63 1wha s PRO 32 CO -0.11 -3.73 1.21 0.98 0.04 0.00 0.00 177.00 175.39 1wha n TYR 33 N 14.17 0.13 -3.84 0.56 9.36 -1.26 -4.07 117.16 132.21 1wha n TYR 33 Ca 0.43 0.13 -0.13 0.00 3.32 0.00 0.00 57.90 61.66 1wha n TYR 33 Cb 0.47 -0.52 -0.14 0.00 -0.63 0.00 0.00 39.34 38.51 1wha n TYR 33 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1wha s ARG 34 N -4.54 0.04 -0.18 2.98 0.52 -1.26 -4.99 118.95 111.51 1wha s ARG 34 Ca -0.04 0.09 -0.29 0.00 -0.52 0.00 0.00 55.73 54.97 1wha s ARG 34 Cb 0.22 -0.02 -0.06 0.00 0.52 0.00 0.00 34.95 35.61 1wha s ARG 34 CO 0.68 -0.03 2.18 0.00 0.02 0.00 0.00 175.30 178.15 1wha n ALA 35 N 3.26 1.73 -1.06 2.13 0.00 -1.26 -1.53 120.51 123.78 1wha n ALA 35 Ca -0.15 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1wha n ALA 35 Cb 0.58 -2.87 0.00 0.00 0.00 0.00 0.00 19.45 17.16 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 5.59 1.14 2.79 0.00 0.00 -1.26 -5.08 105.19 108.37 1wha n GLY 36 Ca 0.29 -0.46 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 1wha n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wha s ASP 37 N -2.52 1.10 -0.34 1.61 1.11 -0.58 -5.01 116.67 112.04 1wha s ASP 37 Ca 0.00 0.07 0.09 0.00 0.18 0.00 0.00 52.55 52.89 1wha s ASP 37 Cb 0.00 0.25 0.65 0.00 1.07 0.00 0.00 42.92 44.90 1wha s ASP 37 CO 0.00 -0.28 1.73 0.00 1.18 0.00 0.00 175.17 177.80 1wha n ALA 38 N 5.32 4.65 -1.53 5.23 0.00 -1.26 -4.44 120.51 128.49 1wha n ALA 38 Ca -0.05 -2.68 0.00 0.00 0.00 0.00 0.00 53.44 50.71 1wha n ALA 38 Cb 0.50 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 -0.69 1.43 3.23 0.00 0.00 -1.26 -4.54 105.19 103.37 1wha n GLY 39 Ca 0.43 -1.57 -0.11 0.00 0.00 0.00 0.00 46.02 44.77 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 2.56 -0.11 0.11 -0.61 1.01 -1.24 -0.99 121.20 121.93 1wha s ILE 40 Ca 0.00 0.12 -0.01 0.00 0.00 0.00 0.00 60.65 60.76 1wha s ILE 40 Cb 0.00 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.85 1wha s ILE 40 CO 0.00 0.05 0.03 -0.36 0.00 0.00 0.00 174.94 174.65 1wha s PHE 41 N 1.56 0.81 -0.40 3.97 0.40 0.10 -0.73 117.98 123.69 1wha s PHE 41 Ca -0.08 -1.17 -0.29 0.00 -0.60 0.00 0.00 56.93 54.79 1wha s PHE 41 Cb -0.09 -0.48 0.02 0.00 0.51 0.00 0.00 43.02 42.98 1wha s PHE 41 CO -0.12 -0.45 1.18 0.08 0.70 0.00 0.00 175.22 176.61 1wha s VAL 42 N -3.97 4.24 -0.16 -0.44 1.01 -0.63 0.19 120.40 120.64 1wha s VAL 42 Ca 0.20 1.33 0.21 0.00 0.00 0.00 0.00 61.98 63.71 1wha s VAL 42 Cb 0.07 -4.44 -0.13 0.00 0.00 0.00 0.00 36.38 31.89 1wha s VAL 42 CO -0.01 -0.76 0.80 -1.54 0.00 0.00 0.00 175.10 173.59 1wha n SER 43 N 7.68 0.62 -3.72 3.32 3.41 -1.16 -0.44 113.62 123.32 1wha n SER 43 Ca 0.13 0.25 -0.14 0.00 -0.26 0.00 0.00 58.87 58.85 1wha n SER 43 Cb 0.48 0.74 -0.08 0.00 -0.26 0.00 0.00 64.21 65.09 1wha n SER 43 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1wha s ARG 44 N -3.22 0.74 -0.02 4.33 3.00 -1.25 -4.97 118.95 117.56 1wha s ARG 44 Ca -0.03 -0.11 0.02 0.00 -1.00 0.00 0.00 55.73 54.60 1wha s ARG 44 Cb 0.10 0.33 0.00 0.00 0.00 0.00 0.00 34.95 35.38 1wha s ARG 44 CO 0.82 -0.21 -0.07 0.42 0.00 0.00 0.00 175.30 176.27 1wha s ILE 45 N -1.30 0.57 -0.48 4.11 1.01 -1.26 -0.58 121.20 123.27 1wha s ILE 45 Ca -0.13 -0.27 -0.26 0.00 0.00 0.00 0.00 60.65 59.99 1wha s ILE 45 Cb -0.04 -0.51 -0.07 0.00 0.01 0.00 0.00 42.46 41.85 1wha s ILE 45 CO 0.05 0.18 2.40 0.00 0.00 0.00 0.00 174.94 177.57 1wha s ALA 46 N 0.10 1.68 -0.16 9.38 0.00 -1.14 -4.83 121.76 126.79 1wha s ALA 46 Ca -0.01 0.05 -0.29 0.00 0.00 0.00 0.00 51.96 51.71 1wha s ALA 46 Cb -0.06 -4.33 -0.03 0.00 0.00 0.00 0.00 23.12 18.70 1wha s ALA 46 CO -0.00 -4.38 1.47 -2.00 0.00 0.00 0.00 175.76 170.84 1wha s GLU 47 N 8.16 4.07 0.00 0.00 2.56 -1.26 -1.70 118.70 130.53 1wha s GLU 47 Ca 0.97 1.77 0.00 0.00 0.00 0.00 0.00 54.97 57.71 1wha s GLU 47 Cb -0.18 -3.91 0.00 0.00 2.00 0.00 0.00 34.13 32.04 1wha s GLU 47 CO 0.26 -0.94 0.00 0.41 -0.56 0.00 0.00 175.26 174.43 1wha n GLY 48 N 4.10 2.86 0.00 -1.50 0.00 -1.26 -4.99 105.19 104.40 1wha n GLY 48 Ca 0.16 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 -1.49 0.09 -0.02 0.00 -1.15 -4.59 105.19 98.03 1wha n GLY 49 Ca 0.00 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.32 1wha n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wha n ALA 50 N -3.00 0.64 -0.34 4.61 0.00 -1.26 -3.21 120.51 117.95 1wha n ALA 50 Ca 0.00 -0.53 0.17 0.00 0.00 0.00 0.00 53.44 53.09 1wha n ALA 50 Cb 0.00 -0.15 0.34 0.00 0.00 0.00 0.00 19.45 19.65 1wha n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wha h ALA 51 N -0.85 1.34 0.14 0.00 0.00 -1.81 0.16 119.26 118.24 1wha h ALA 51 Ca -0.15 0.33 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1wha h ALA 51 Cb 0.87 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1wha h ALA 51 CO -0.09 -0.63 -0.07 1.25 0.00 0.00 0.00 179.25 179.71 1wha h HIS 52 N 0.02 -0.17 -0.85 0.00 6.17 -1.53 -3.33 115.15 115.45 1wha h HIS 52 Ca 0.64 -0.00 0.18 0.00 0.71 0.00 0.00 60.37 61.90 1wha h HIS 52 Cb 1.40 0.06 -0.16 0.00 2.52 0.00 0.00 27.41 31.22 1wha h HIS 52 CO -0.41 -0.11 -0.18 -2.13 0.71 0.00 0.00 177.93 175.82 1wha n ARG 53 N -3.28 -0.08 -0.30 5.26 0.63 -0.83 0.10 116.66 118.18 1wha n ARG 53 Ca -0.02 1.32 0.02 0.00 -0.92 0.00 0.00 57.85 58.25 1wha n ARG 53 Cb 0.07 -1.99 0.07 0.00 0.45 0.00 0.00 32.46 31.06 1wha n ARG 53 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1wha n ALA 54 N -3.61 0.03 0.00 5.13 0.00 0.51 -4.81 120.51 117.76 1wha n ALA 54 Ca 0.15 0.83 0.00 0.00 0.00 0.00 0.00 53.44 54.42 1wha n ALA 54 Cb 0.46 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1wha n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wha n GLY 55 N -1.43 2.60 0.23 0.00 0.00 0.12 -4.78 105.19 101.92 1wha n GLY 55 Ca 0.10 -0.63 0.01 0.00 0.00 0.00 0.00 46.02 45.50 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 0.68 -2.27 2.61 1.35 -1.87 -3.40 112.91 110.01 1wha h THR 56 Ca 0.00 -0.11 -0.55 0.00 -0.55 0.00 0.00 66.41 65.20 1wha h THR 56 Cb 0.00 0.34 0.02 0.00 -1.73 0.00 0.00 68.15 66.78 1wha h THR 56 CO 0.00 0.06 1.25 0.18 -0.25 0.00 0.00 175.52 176.76 1wha n LEU 57 N -5.08 3.98 -3.87 3.87 4.77 -1.26 -4.97 117.00 114.45 1wha n LEU 57 Ca 0.09 0.83 -0.12 0.00 -0.03 0.00 0.00 56.01 56.78 1wha n LEU 57 Cb 0.31 -1.51 -0.14 0.00 -2.33 0.00 0.00 43.42 39.75 1wha n LEU 57 CO 0.19 0.07 -0.34 -1.10 -1.33 0.00 0.00 177.39 174.88 1wha s GLN 58 N 4.66 0.03 -0.09 3.23 -0.21 -1.26 -4.83 119.66 121.19 1wha s GLN 58 Ca 0.91 0.01 -0.34 0.00 0.02 0.00 0.00 55.36 55.96 1wha s GLN 58 Cb -0.45 0.01 -0.12 0.00 1.00 0.00 0.00 33.01 33.45 1wha s GLN 58 CO 0.42 -0.00 1.88 0.28 -2.12 0.00 0.00 175.29 175.75 1wha n VAL 59 N 3.03 0.57 0.00 1.09 0.31 -1.26 -2.46 118.33 119.61 1wha n VAL 59 Ca -0.12 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 1wha n VAL 59 Cb 0.60 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 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 4.40 3.78 3.61 2.92 0.00 0.41 -4.95 105.19 115.37 1wha n GLY 60 Ca 0.23 -0.97 -0.46 0.00 0.00 0.00 0.00 46.02 44.81 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 1.77 -4.86 1.61 9.92 -1.03 -4.36 116.55 119.61 1wha n ASP 61 Ca 0.00 1.16 -0.35 0.00 -0.53 0.00 0.00 54.79 55.07 1wha n ASP 61 Cb 0.00 -1.31 -0.06 0.00 -0.64 0.00 0.00 41.12 39.12 1wha n ASP 61 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1wha s ARG 62 N -0.84 3.86 -0.51 -1.24 3.52 -1.26 -1.61 118.95 120.88 1wha s ARG 62 Ca 0.66 0.32 -0.20 0.00 -0.13 0.00 0.00 55.73 56.39 1wha s ARG 62 Cb -0.74 -2.98 0.06 0.00 -1.56 0.00 0.00 34.95 29.73 1wha s ARG 62 CO 0.55 0.53 0.66 0.08 -0.81 0.00 0.00 175.30 176.31 1wha s VAL 63 N -1.41 4.82 0.04 7.11 1.01 0.09 -2.08 120.40 129.98 1wha s VAL 63 Ca 0.34 -0.41 -0.20 0.00 0.00 0.00 0.00 61.98 61.71 1wha s VAL 63 Cb -0.15 -4.33 -0.14 0.00 0.00 0.00 0.00 36.38 31.76 1wha s VAL 63 CO 0.18 -0.85 1.33 -0.07 0.00 0.00 0.00 175.10 175.70 1wha h LEU 64 N 9.85 0.42 -7.76 3.92 3.38 -0.53 -3.30 115.31 121.30 1wha h LEU 64 Ca -0.27 -0.50 -0.08 0.00 0.09 0.00 0.00 57.88 57.11 1wha h LEU 64 Cb 1.09 -0.12 -0.14 0.00 0.09 0.00 0.00 40.66 41.58 1wha h LEU 64 CO 0.98 0.84 -0.33 -0.94 0.09 0.00 0.00 178.44 179.08 1wha s SER 65 N -6.21 0.07 -0.22 -0.43 1.04 -1.24 0.24 113.70 106.95 1wha s SER 65 Ca -0.14 -0.61 -0.03 0.00 0.48 0.00 0.00 55.95 55.64 1wha s SER 65 Cb 0.05 0.36 0.07 0.00 0.10 0.00 0.00 66.02 66.61 1wha s SER 65 CO 0.76 -0.75 0.08 -0.63 0.98 0.00 0.00 173.24 173.68 1wha s ILE 66 N -3.86 0.28 -0.88 -1.02 1.01 -0.04 -1.05 121.20 115.65 1wha s ILE 66 Ca 0.05 -0.60 -0.05 0.00 0.00 0.00 0.00 60.65 60.05 1wha s ILE 66 Cb 0.04 -0.98 0.01 0.00 0.01 0.00 0.00 42.46 41.54 1wha s ILE 66 CO -0.11 -0.40 0.62 -3.20 0.00 0.00 0.00 174.94 171.85 1wha n ASN 67 N 5.13 -4.62 -1.04 3.58 2.85 0.17 -3.40 115.26 117.93 1wha n ASN 67 Ca -0.07 -0.28 -0.03 0.00 -0.11 0.00 0.00 54.58 54.09 1wha n ASN 67 Cb 0.46 -3.29 0.01 0.00 1.24 0.00 0.00 39.78 38.20 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 -1.37 0.63 2.90 8.20 0.00 -1.26 -5.01 105.19 109.28 1wha n GLY 68 Ca -0.02 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.05 -0.51 -0.13 1.61 1.01 -1.22 -5.11 120.40 113.00 1wha s VAL 69 Ca 0.06 -0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.71 1wha s VAL 69 Cb -0.03 -0.73 -0.07 0.00 0.00 0.00 0.00 36.38 35.56 1wha s VAL 69 CO 0.10 -0.11 2.12 -0.67 0.00 0.00 0.00 175.10 176.55 1wha n ASP 70 N 5.35 3.52 -0.12 3.32 -0.08 -1.26 -0.86 116.55 126.42 1wha n ASP 70 Ca -0.05 0.49 0.07 0.00 -1.51 0.00 0.00 54.79 53.79 1wha n ASP 70 Cb 0.50 -1.52 0.11 0.00 2.34 0.00 0.00 41.12 42.55 1wha n ASP 70 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1wha n VAL 71 N 6.84 1.64 -0.34 5.18 0.24 0.14 -4.71 118.33 127.33 1wha n VAL 71 Ca 0.27 -1.86 0.17 0.00 -2.04 0.00 0.00 64.34 60.88 1wha n VAL 71 Cb 0.41 -0.01 0.33 0.00 -1.47 0.00 0.00 33.84 33.10 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 0.17 0.00 0.00 3.34 1.35 -1.47 -1.47 112.91 114.84 1wha h THR 72 Ca 0.00 -0.00 -0.09 0.00 -0.55 0.00 0.00 66.41 65.77 1wha h THR 72 Cb 0.88 0.00 -0.18 0.00 -1.73 0.00 0.00 68.15 67.12 1wha h THR 72 CO 0.01 0.00 -0.72 -0.62 -0.25 0.00 0.00 175.52 173.95 1wha n GLU 73 N -5.47 0.64 -2.52 4.72 -0.58 -1.26 -3.68 120.64 112.49 1wha n GLU 73 Ca 0.25 -2.38 -0.34 0.00 -0.42 0.00 0.00 57.16 54.28 1wha n GLU 73 Cb 0.83 -0.72 -0.03 0.00 -0.57 0.00 0.00 31.44 30.95 1wha n GLU 73 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wha s ALA 74 N -1.32 2.87 0.64 0.62 0.00 -0.55 -4.90 121.76 119.12 1wha s ALA 74 Ca 0.31 0.59 -0.17 0.00 0.00 0.00 0.00 51.96 52.69 1wha s ALA 74 Cb 0.33 -3.25 -0.06 0.00 0.00 0.00 0.00 23.12 20.14 1wha s ALA 74 CO -0.10 -0.33 0.55 0.54 0.00 0.00 0.00 175.76 176.41 1wha n ARG 75 N -1.03 0.44 -0.08 0.00 5.12 -1.26 -4.30 116.66 115.54 1wha n ARG 75 Ca 0.09 0.18 -0.08 0.00 -1.93 0.00 0.00 57.85 56.12 1wha n ARG 75 Cb 0.53 -1.79 -0.00 0.00 -1.16 0.00 0.00 32.46 30.03 1wha n ARG 75 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1wha h HIS 76 N -0.03 0.23 -0.14 -1.55 2.76 -1.79 -1.52 115.15 113.10 1wha h HIS 76 Ca -0.46 0.01 -0.20 0.00 -2.20 0.00 0.00 60.37 57.53 1wha h HIS 76 Cb 1.37 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 30.28 1wha h HIS 76 CO 0.33 0.11 -0.70 -0.44 -1.30 0.00 0.00 177.93 175.93 1wha h ASP 77 N 0.27 0.72 0.07 3.26 5.19 -1.90 -2.98 116.42 121.06 1wha h ASP 77 Ca 0.13 -0.45 0.02 0.00 -0.62 0.00 0.00 57.03 56.11 1wha h ASP 77 Cb 0.08 -0.21 -0.04 0.00 0.18 0.00 0.00 39.33 39.34 1wha h ASP 77 CO -0.12 1.22 -0.28 -0.74 -3.12 0.00 0.00 179.24 176.20 1wha h HIS 78 N 0.44 -0.75 -0.86 4.55 2.76 -1.82 -1.15 115.15 118.31 1wha h HIS 78 Ca -0.03 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.20 1wha h HIS 78 Cb 1.30 0.32 -0.05 0.00 1.55 0.00 0.00 27.41 30.53 1wha h HIS 78 CO 0.06 -0.38 0.55 0.00 -1.30 0.00 0.00 177.93 176.87 1wha h ALA 79 N 0.29 1.14 -0.71 5.26 0.00 -1.35 -1.84 119.26 122.03 1wha h ALA 79 Ca 0.04 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1wha h ALA 79 Cb 0.51 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1wha h ALA 79 CO -0.19 0.39 0.47 0.28 0.00 0.00 0.00 179.25 180.19 1wha h VAL 80 N 1.07 1.06 -0.97 0.00 2.07 -1.24 -1.51 116.25 116.73 1wha h VAL 80 Ca 0.34 -0.27 0.28 0.00 0.82 0.00 0.00 66.70 67.87 1wha h VAL 80 Cb 0.01 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 29.94 1wha h VAL 80 CO -0.12 0.15 0.88 0.77 0.02 0.00 0.00 177.57 179.27 1wha h SER 81 N 0.80 0.00 0.30 0.57 4.64 -0.34 0.84 113.55 120.36 1wha h SER 81 Ca 0.30 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.30 1wha h SER 81 Cb 0.17 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.20 1wha h SER 81 CO -0.09 0.00 -1.97 0.18 -0.87 0.00 0.00 176.83 174.07 1wha n LEU 82 N -3.74 0.52 0.07 5.97 4.77 -0.58 -3.01 117.00 121.00 1wha n LEU 82 Ca 0.21 0.25 -0.11 0.00 -0.03 0.00 0.00 56.01 56.33 1wha n LEU 82 Cb 1.20 0.30 -0.08 0.00 -2.33 0.00 0.00 43.42 42.52 1wha n LEU 82 CO 0.32 0.43 0.41 -0.07 -1.33 0.00 0.00 177.39 177.15 1wha h LEU 83 N 0.00 -0.21 -0.89 2.23 3.38 0.64 -3.22 115.31 117.24 1wha h LEU 83 Ca -0.39 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.26 1wha h LEU 83 Cb 2.10 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.90 1wha h LEU 83 CO 0.06 0.32 0.00 0.35 0.09 0.00 0.00 178.44 179.25 1wha n THR 84 N -4.95 0.29 -0.28 0.22 -2.24 0.72 -4.89 114.28 103.15 1wha n THR 84 Ca -0.08 -0.31 -0.10 0.00 -2.27 0.00 0.00 64.05 61.28 1wha n THR 84 Cb 0.26 0.17 0.10 0.00 -2.10 0.00 0.00 70.33 68.76 1wha n THR 84 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wha n ALA 85 N 0.18 -1.77 -2.92 6.98 0.00 -1.16 -4.85 120.51 116.96 1wha n ALA 85 Ca 0.11 -0.52 -0.43 0.00 0.00 0.00 0.00 53.44 52.60 1wha n ALA 85 Cb 0.23 -0.05 0.01 0.00 0.00 0.00 0.00 19.45 19.64 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 -3.42 5.15 -3.38 0.00 0.00 -1.26 -4.95 120.51 112.65 1wha n ALA 86 Ca -0.07 -4.72 -0.14 0.00 0.00 0.00 0.00 53.44 48.52 1wha n ALA 86 Cb 0.20 -2.46 -0.09 0.00 0.00 0.00 0.00 19.45 17.10 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 -1.16 -0.48 -0.02 0.00 1.04 -1.26 -5.07 113.70 106.74 1wha s SER 87 Ca 0.32 0.84 -0.25 0.00 0.48 0.00 0.00 55.95 57.34 1wha s SER 87 Cb 0.05 0.87 -0.20 0.00 0.10 0.00 0.00 66.02 66.84 1wha s SER 87 CO 0.08 -0.24 1.23 1.55 0.98 0.00 0.00 173.24 176.84 1wha h PRO 88 N 4.98 -0.06 -6.02 4.02 0.13 -1.93 -3.42 132.00 129.69 1wha h PRO 88 Ca -0.28 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.22 1wha h PRO 88 Cb 1.17 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 1wha h PRO 88 CO 0.24 0.41 -0.55 0.95 -0.23 0.00 0.00 178.00 178.82 1wha s THR 89 N -4.22 4.96 -0.10 1.56 -4.23 -1.26 -0.84 115.64 111.51 1wha s THR 89 Ca -0.15 -0.52 -0.07 0.00 -1.18 0.00 0.00 61.69 59.77 1wha s THR 89 Cb 0.02 -3.38 0.04 0.00 1.34 0.00 0.00 72.50 70.51 1wha s THR 89 CO 0.64 0.18 0.26 -0.63 -0.54 0.00 0.00 174.62 174.53 1wha s ILE 90 N -1.40 -0.02 -0.19 2.99 1.01 -1.26 -4.97 121.20 117.37 1wha s ILE 90 Ca 0.30 0.07 -0.09 0.00 0.00 0.00 0.00 60.65 60.93 1wha s ILE 90 Cb -0.12 -0.38 -0.05 0.00 0.01 0.00 0.00 42.46 41.92 1wha s ILE 90 CO 0.23 0.03 0.13 0.00 0.00 0.00 0.00 174.94 175.32 1wha s ALA 91 N 0.67 3.70 0.04 9.38 0.00 -1.26 -4.04 121.76 130.26 1wha s ALA 91 Ca -0.04 -0.69 0.07 0.00 0.00 0.00 0.00 51.96 51.30 1wha s ALA 91 Cb -0.06 -2.12 -0.03 0.00 0.00 0.00 0.00 23.12 20.92 1wha s ALA 91 CO -0.04 0.23 -0.21 -0.51 0.00 0.00 0.00 175.76 175.23 1wha s LEU 92 N 0.15 2.16 -0.41 0.00 1.43 -1.20 0.46 118.68 121.28 1wha s LEU 92 Ca 0.09 -0.52 -0.07 0.00 -1.03 0.00 0.00 54.13 52.60 1wha s LEU 92 Cb -0.11 -0.99 0.09 0.00 0.03 0.00 0.00 46.19 45.20 1wha s LEU 92 CO -0.01 0.17 0.22 -0.22 0.23 0.00 0.00 176.35 176.74 1wha s LEU 93 N -1.17 5.07 -0.14 1.79 0.20 -0.21 -2.71 118.68 121.50 1wha s LEU 93 Ca 0.08 -1.64 -0.04 0.00 0.69 0.00 0.00 54.13 53.22 1wha s LEU 93 Cb -0.09 -1.92 -0.03 0.00 -0.43 0.00 0.00 46.19 43.73 1wha s LEU 93 CO 0.02 -0.52 -0.01 -0.76 -0.29 0.00 0.00 176.35 174.79 1wha s LEU 94 N 1.33 3.41 -0.42 -0.68 1.43 -1.13 0.25 118.68 122.86 1wha s LEU 94 Ca 0.04 -0.04 -0.16 0.00 -1.03 0.00 0.00 54.13 52.94 1wha s LEU 94 Cb -0.23 -1.82 0.03 0.00 0.03 0.00 0.00 46.19 44.20 1wha s LEU 94 CO -0.00 0.22 0.36 -0.70 0.23 0.00 0.00 176.35 176.46 1wha s GLU 95 N 0.09 3.02 -0.13 1.70 2.12 -0.89 -2.42 118.70 122.19 1wha s GLU 95 Ca 0.01 -0.96 -0.26 0.00 0.36 0.00 0.00 54.97 54.12 1wha s GLU 95 Cb -0.13 -3.99 -0.02 0.00 0.26 0.00 0.00 34.13 30.25 1wha s GLU 95 CO 0.02 -0.82 0.86 0.50 -0.54 0.00 0.00 175.26 175.27 1wha s ARG 96 N 1.86 4.35 -0.22 4.30 3.52 -1.14 -4.08 118.95 127.54 1wha s ARG 96 Ca 0.08 1.09 -0.08 0.00 -0.13 0.00 0.00 55.73 56.69 1wha s ARG 96 Cb -0.19 -3.54 -0.04 0.00 -1.56 0.00 0.00 34.95 29.62 1wha s ARG 96 CO 0.11 -0.26 0.09 -1.21 -0.81 0.00 0.00 175.30 173.22 1wha s GLU 97 N 1.87 3.88 -0.25 5.12 2.02 -1.26 -1.23 118.70 128.85 1wha s GLU 97 Ca 0.41 -0.38 0.02 0.00 0.02 0.00 0.00 54.97 55.04 1wha s GLU 97 Cb -0.17 -3.32 0.36 0.00 0.10 0.00 0.00 34.13 31.10 1wha s GLU 97 CO 0.15 0.06 1.53 0.00 0.02 0.00 0.00 175.26 177.02 1wha n ALA 98 N 4.20 4.25 -1.56 5.21 0.00 -1.26 -4.83 120.51 126.53 1wha n ALA 98 Ca -0.16 -1.61 0.00 0.00 0.00 0.00 0.00 53.44 51.67 1wha n ALA 98 Cb 0.52 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.39 0.86 3.56 0.00 0.00 -1.26 -4.84 105.19 103.12 1wha n GLY 99 Ca 0.33 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 1wha n GLY 99 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wha s SER 100 N -1.00 4.99 -0.08 1.61 0.01 -1.26 -4.88 113.70 113.09 1wha s SER 100 Ca 0.00 -0.56 -0.20 0.00 1.31 0.00 0.00 55.95 56.50 1wha s SER 100 Cb 0.00 -2.56 0.04 0.00 0.21 0.00 0.00 66.02 63.72 1wha s SER 100 CO 0.00 -2.88 0.48 -0.83 0.41 0.00 0.00 173.24 170.42 1wha s GLY 101 N 8.39 -0.35 0.26 3.44 0.00 -1.26 -5.03 107.32 112.78 1wha s GLY 101 Ca 0.73 0.97 0.23 0.00 0.00 0.00 0.00 44.72 46.65 1wha s GLY 101 CO 0.01 0.72 1.71 -1.55 0.00 0.00 0.00 173.10 173.99 1wha n PRO 102 N 1.69 0.19 -1.50 2.90 -0.04 -1.26 -4.77 135.00 132.20 1wha n PRO 102 Ca -0.18 0.43 -0.34 0.00 -0.04 0.00 0.00 63.50 63.37 1wha n PRO 102 Cb 0.56 -1.87 -0.17 0.00 -0.04 0.00 0.00 33.50 31.98 1wha n PRO 102 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wha n SER 103 N -2.23 -0.21 -4.67 3.54 7.64 -1.26 -4.70 113.62 111.73 1wha n SER 103 Ca 0.02 -0.14 -0.61 0.00 1.01 0.00 0.00 58.87 59.15 1wha n SER 103 Cb 0.23 -0.83 -0.08 0.00 -1.01 0.00 0.00 64.21 62.51 1wha n SER 103 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wha n SER 104 N 9.17 1.87 0.00 6.43 7.64 -1.26 -5.15 113.62 132.33 1wha n SER 104 Ca 0.65 1.03 0.00 0.00 1.01 0.00 0.00 58.87 61.56 1wha n SER 104 Cb 0.10 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 1wha n SER 104 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64