#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whh n SER 2 N 0.00 -8.49 0.39 1.61 3.41 -1.26 -4.89 113.62 104.39 1whh n SER 2 Ca 0.00 1.27 -0.16 0.00 -0.26 0.00 0.00 58.87 59.72 1whh n SER 2 Cb 0.00 -4.75 -0.07 0.00 -0.26 0.00 0.00 64.21 59.13 1whh n SER 2 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1whh h SER 3 N 3.86 -0.88 0.00 4.04 0.02 -2.05 -3.48 113.55 115.07 1whh h SER 3 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1whh h SER 3 Cb 0.00 0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1whh h SER 3 CO 0.00 -0.61 0.00 0.61 -1.14 0.00 0.00 176.83 175.69 1whh n GLY 4 N -1.50 4.49 0.05 -3.77 0.00 -1.26 -5.10 105.19 98.09 1whh n GLY 4 Ca -0.12 -0.74 -0.04 0.00 0.00 0.00 0.00 46.02 45.12 1whh n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1whh n SER 5 N 0.00 1.28 -0.12 1.61 2.88 -1.26 -4.87 113.62 113.15 1whh n SER 5 Ca 0.00 0.40 -0.25 0.00 -1.33 0.00 0.00 58.87 57.69 1whh n SER 5 Cb 0.00 -0.72 -0.08 0.00 -0.75 0.00 0.00 64.21 62.66 1whh n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1whh n SER 6 N -3.87 1.77 0.00 -3.46 3.41 -1.26 -5.13 113.62 105.08 1whh n SER 6 Ca -0.07 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1whh n SER 6 Cb 0.25 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 1whh n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1whh n GLY 7 N 1.46 -2.09 1.33 5.00 0.00 -1.26 -5.03 105.19 104.60 1whh n GLY 7 Ca -0.45 -1.40 -0.05 0.00 0.00 0.00 0.00 46.02 44.12 1whh n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1whh n LYS 8 N -0.89 0.22 -3.62 1.61 4.81 -1.26 -5.02 118.16 114.02 1whh n LYS 8 Ca 0.00 -1.21 -0.35 0.00 -0.87 0.00 0.00 58.31 55.88 1whh n LYS 8 Cb 0.00 0.38 -0.05 0.00 0.02 0.00 0.00 35.03 35.37 1whh n LYS 8 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1whh s SER 9 N -1.21 6.60 0.42 3.14 0.15 -1.26 -5.08 113.70 116.47 1whh s SER 9 Ca 0.06 0.73 -0.24 0.00 0.70 0.00 0.00 55.95 57.21 1whh s SER 9 Cb 0.12 -2.16 -0.08 0.00 -1.71 0.00 0.00 66.02 62.19 1whh s SER 9 CO -0.04 0.19 1.09 -2.16 1.20 0.00 0.00 173.24 173.51 1whh s PRO 10 N -1.90 4.03 0.08 5.44 0.04 -1.26 -4.97 135.00 136.46 1whh s PRO 10 Ca 0.32 1.59 0.05 0.00 0.04 0.00 0.00 61.00 63.00 1whh s PRO 10 Cb -0.14 -2.48 -0.23 0.00 0.04 0.00 0.00 34.50 31.69 1whh s PRO 10 CO 0.18 -0.28 1.15 0.77 0.04 0.00 0.00 177.00 178.86 1whh h SER 11 N 2.33 0.11 -4.80 6.66 0.02 -2.01 -3.47 113.55 112.39 1whh h SER 11 Ca -0.49 -0.12 -0.23 0.00 -0.84 0.00 0.00 61.79 60.12 1whh h SER 11 Cb 1.22 -0.03 -0.18 0.00 0.14 0.00 0.00 62.40 63.55 1whh h SER 11 CO 0.62 1.10 -0.71 -0.94 -1.14 0.00 0.00 176.83 175.75 1whh s SER 12 N -6.74 0.83 -0.90 3.07 1.04 -1.26 -5.08 113.70 104.66 1whh s SER 12 Ca -0.01 -0.75 -0.25 0.00 0.48 0.00 0.00 55.95 55.42 1whh s SER 12 Cb 0.09 0.08 -0.08 0.00 0.10 0.00 0.00 66.02 66.21 1whh s SER 12 CO 0.83 -0.35 2.07 -2.16 0.98 0.00 0.00 173.24 174.61 1whh s PRO 13 N -2.61 2.26 0.08 4.02 0.04 -1.26 -4.92 135.00 132.61 1whh s PRO 13 Ca -0.01 -0.16 0.09 0.00 0.04 0.00 0.00 61.00 60.95 1whh s PRO 13 Cb -0.03 -5.00 -0.03 0.00 0.04 0.00 0.00 34.50 29.48 1whh s PRO 13 CO -0.03 -3.77 -0.23 -1.54 0.04 0.00 0.00 177.00 171.47 1whh s SER 14 N 8.66 2.76 0.26 6.66 1.04 -1.26 -5.13 113.70 126.69 1whh s SER 14 Ca 0.76 -0.63 0.05 0.00 0.48 0.00 0.00 55.95 56.61 1whh s SER 14 Cb -0.08 -0.20 -0.02 0.00 0.10 0.00 0.00 66.02 65.83 1whh s SER 14 CO 0.03 0.14 0.17 -0.11 0.98 0.00 0.00 173.24 174.45 1whh n LEU 15 N 1.40 0.00 -0.05 2.42 7.94 -1.26 -5.04 117.00 122.42 1whh n LEU 15 Ca -0.18 -2.30 0.08 0.00 -1.11 0.00 0.00 56.01 52.50 1whh n LEU 15 Cb 0.53 1.03 0.45 0.00 0.53 0.00 0.00 43.42 45.96 1whh n LEU 15 CO 0.23 -0.37 1.18 1.23 -1.11 0.00 0.00 177.39 178.54 1whh h GLY 16 N 1.37 0.60 -6.00 -3.96 0.00 -2.05 -3.42 103.07 89.60 1whh h GLY 16 Ca -0.20 -0.20 0.28 0.00 0.00 0.00 0.00 47.33 47.21 1whh h GLY 16 CO 0.30 0.16 0.24 -1.35 0.00 0.00 0.00 176.54 175.89 1whh s SER 17 N -6.47 -0.18 -0.05 0.19 1.04 -1.26 -5.05 113.70 101.92 1whh s SER 17 Ca -0.08 0.10 0.09 0.00 0.48 0.00 0.00 55.95 56.55 1whh s SER 17 Cb 0.18 1.15 0.18 0.00 0.10 0.00 0.00 66.02 67.63 1whh s SER 17 CO 0.74 -0.03 1.11 0.18 0.98 0.00 0.00 173.24 176.22 1whh n LEU 18 N 5.46 -0.40 -1.42 2.42 4.77 -1.26 -4.91 117.00 121.65 1whh n LEU 18 Ca -0.08 -2.18 -0.03 0.00 -0.03 0.00 0.00 56.01 53.69 1whh n LEU 18 Cb 0.55 0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.65 1whh n LEU 18 CO -0.15 1.24 0.30 1.67 -1.33 0.00 0.00 177.39 179.12 1whh n GLN 19 N -0.07 0.26 -2.35 3.23 -0.06 -1.26 -5.08 117.38 112.05 1whh n GLN 19 Ca -0.16 -1.40 -0.25 0.00 -2.00 0.00 0.00 57.00 53.18 1whh n GLN 19 Cb 0.84 0.26 0.12 0.00 -4.06 0.00 0.00 30.24 27.40 1whh n GLN 19 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 1whh s GLN 20 N -0.18 1.54 -0.46 3.69 -0.21 -1.26 -5.05 119.66 117.73 1whh s GLN 20 Ca 0.11 -0.76 -0.15 0.00 0.02 0.00 0.00 55.36 54.58 1whh s GLN 20 Cb 0.17 -2.18 0.07 0.00 1.00 0.00 0.00 33.01 32.06 1whh s GLN 20 CO -0.06 -1.63 0.36 1.03 -2.12 0.00 0.00 175.29 172.87 1whh s ARG 21 N -5.34 2.93 -1.67 2.91 1.81 -1.26 -4.41 118.95 113.91 1whh s ARG 21 Ca 0.67 -1.32 -0.02 0.00 -1.72 0.00 0.00 55.73 53.34 1whh s ARG 21 Cb -0.06 -4.06 0.00 0.00 -0.45 0.00 0.00 34.95 30.38 1whh s ARG 21 CO 0.46 -0.98 0.23 0.39 -0.68 0.00 0.00 175.30 174.72 1whh n GLU 22 N 5.16 -2.85 -1.58 3.54 1.02 -1.26 -4.96 120.64 119.71 1whh n GLU 22 Ca -0.12 0.96 -0.32 0.00 -0.02 0.00 0.00 57.16 57.66 1whh n GLU 22 Cb 0.44 -5.67 0.06 0.00 -0.02 0.00 0.00 31.44 26.25 1whh n GLU 22 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1whh s GLY 23 N -2.31 1.90 -0.13 0.62 0.00 -1.26 -5.06 107.32 101.08 1whh s GLY 23 Ca 0.11 0.36 -0.31 0.00 0.00 0.00 0.00 44.72 44.88 1whh s GLY 23 CO 0.14 0.69 1.03 0.00 0.00 0.00 0.00 173.10 174.96 1whh s ALA 24 N -2.67 -1.94 -0.15 3.20 0.00 -1.26 -5.07 121.76 113.88 1whh s ALA 24 Ca 0.63 1.43 -0.19 0.00 0.00 0.00 0.00 51.96 53.83 1whh s ALA 24 Cb -0.18 -0.30 -0.24 0.00 0.00 0.00 0.00 23.12 22.40 1whh s ALA 24 CO 0.48 -0.48 0.46 0.87 0.00 0.00 0.00 175.76 177.09 1whh h LYS 25 N 2.24 0.13 0.00 0.00 6.56 -1.97 -3.48 116.57 120.05 1whh h LYS 25 Ca -0.17 -0.22 -0.46 0.00 -1.06 0.00 0.00 60.65 58.74 1whh h LYS 25 Cb 1.19 0.08 -0.03 0.00 -0.57 0.00 0.00 32.23 32.90 1whh h LYS 25 CO 0.29 1.10 -0.19 0.00 -2.06 0.00 0.00 179.45 178.59 1whh n ALA 26 N -3.07 0.76 -2.90 3.86 0.00 -1.26 -5.03 120.51 112.87 1whh n ALA 26 Ca -0.26 -1.80 -0.10 0.00 0.00 0.00 0.00 53.44 51.29 1whh n ALA 26 Cb 0.78 0.69 -0.06 0.00 0.00 0.00 0.00 19.45 20.86 1whh n ALA 26 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1whh s GLU 27 N -3.92 1.33 0.02 0.00 0.41 -1.26 -5.13 118.70 110.16 1whh s GLU 27 Ca 0.31 -1.23 -0.30 0.00 -0.41 0.00 0.00 54.97 53.34 1whh s GLU 27 Cb -0.02 0.42 -0.06 0.00 -1.78 0.00 0.00 34.13 32.68 1whh s GLU 27 CO 0.19 -0.52 1.49 0.08 -0.49 0.00 0.00 175.26 176.02 1whh s VAL 28 N -4.00 3.48 0.00 2.63 1.01 -1.26 -3.20 120.40 119.05 1whh s VAL 28 Ca 0.21 0.88 0.00 0.00 0.00 0.00 0.00 61.98 63.07 1whh s VAL 28 Cb 0.02 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1whh s VAL 28 CO 0.05 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1whh n GLY 29 N 3.77 1.84 2.98 4.51 0.00 0.01 -5.00 105.19 113.30 1whh n GLY 29 Ca 0.14 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 1whh n GLY 29 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1whh s ASP 30 N -2.08 0.38 0.02 1.61 -1.08 -1.20 -4.99 116.67 109.33 1whh s ASP 30 Ca 0.00 -0.42 -0.30 0.00 -0.52 0.00 0.00 52.55 51.31 1whh s ASP 30 Cb 0.00 0.06 -0.05 0.00 -1.46 0.00 0.00 42.92 41.47 1whh s ASP 30 CO 0.00 -0.21 1.29 -1.10 0.52 0.00 0.00 175.17 175.67 1whh s GLN 31 N -1.20 4.35 0.43 4.34 -0.21 -1.26 -2.87 119.66 123.24 1whh s GLN 31 Ca -0.11 1.85 0.04 0.00 0.02 0.00 0.00 55.36 57.16 1whh s GLN 31 Cb -0.08 -3.46 -0.02 0.00 1.00 0.00 0.00 33.01 30.45 1whh s GLN 31 CO -0.00 -0.43 0.15 0.14 -2.12 0.00 0.00 175.29 173.02 1whh s VAL 32 N 1.79 0.50 -0.18 1.09 -7.23 0.18 -1.31 120.40 115.24 1whh s VAL 32 Ca 0.60 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.73 1whh s VAL 32 Cb -0.30 -2.26 0.06 0.00 0.56 0.00 0.00 36.38 34.44 1whh s VAL 32 CO 0.27 0.00 0.09 -0.22 -0.31 0.00 0.00 175.10 174.92 1whh s LEU 33 N -3.64 0.43 -0.16 1.32 2.96 0.94 -1.86 118.68 118.66 1whh s LEU 33 Ca 0.21 -0.67 -0.29 0.00 -0.22 0.00 0.00 54.13 53.15 1whh s LEU 33 Cb 0.01 -0.28 -0.01 0.00 0.50 0.00 0.00 46.19 46.41 1whh s LEU 33 CO 0.15 -0.35 1.19 -0.69 -1.32 0.00 0.00 176.35 175.33 1whh s VAL 34 N 2.11 4.39 -1.87 1.68 1.01 0.13 -0.42 120.40 127.42 1whh s VAL 34 Ca 0.02 1.68 0.00 0.00 0.00 0.00 0.00 61.98 63.69 1whh s VAL 34 Cb -0.16 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1whh s VAL 34 CO -0.11 -0.12 0.00 0.00 0.00 0.00 0.00 175.10 174.88 1whh n ALA 35 N 6.24 -0.52 -3.30 5.51 0.00 0.06 -1.84 120.51 126.65 1whh n ALA 35 Ca 0.13 0.22 -0.24 0.00 0.00 0.00 0.00 53.44 53.55 1whh n ALA 35 Cb 0.45 -2.09 0.03 0.00 0.00 0.00 0.00 19.45 17.84 1whh n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1whh n GLY 36 N -0.79 -0.52 1.72 0.00 0.00 -1.20 -4.77 105.19 99.64 1whh n GLY 36 Ca -0.23 0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1whh n GLY 36 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1whh n GLN 37 N -4.22 0.00 -2.02 1.61 6.02 -0.77 -5.07 117.38 112.93 1whh n GLN 37 Ca -0.05 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.51 1whh n GLN 37 Cb 0.58 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.82 1whh n GLN 37 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1whh s LYS 38 N -0.86 3.75 -0.16 -1.09 1.02 -0.93 -4.82 119.74 116.65 1whh s LYS 38 Ca 0.00 1.78 -0.20 0.00 0.02 0.00 0.00 55.97 57.57 1whh s LYS 38 Cb 0.00 -4.08 -0.03 0.00 -0.52 0.00 0.00 37.83 33.19 1whh s LYS 38 CO 0.00 -1.36 0.57 -1.14 -0.92 0.00 0.00 175.35 172.51 1whh s GLN 39 N 4.84 4.26 0.21 1.68 0.74 -1.26 0.17 119.66 130.31 1whh s GLN 39 Ca 0.76 0.56 -0.04 0.00 0.05 0.00 0.00 55.36 56.69 1whh s GLN 39 Cb -0.27 -3.52 0.02 0.00 1.10 0.00 0.00 33.01 30.33 1whh s GLN 39 CO 0.31 -0.09 0.35 0.41 -0.55 0.00 0.00 175.29 175.72 1whh n GLY 40 N 3.61 2.13 3.04 2.59 0.00 -0.78 -4.71 105.19 111.07 1whh n GLY 40 Ca -0.04 -1.38 -0.26 0.00 0.00 0.00 0.00 46.02 44.34 1whh n GLY 40 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1whh s ILE 41 N -2.59 1.25 0.11 -0.61 1.01 -1.23 0.49 121.20 119.63 1whh s ILE 41 Ca 0.14 -0.53 -0.31 0.00 0.00 0.00 0.00 60.65 59.95 1whh s ILE 41 Cb -0.01 -1.14 -0.10 0.00 0.01 0.00 0.00 42.46 41.21 1whh s ILE 41 CO 0.10 0.38 1.87 0.52 0.00 0.00 0.00 174.94 177.81 1whh n VAL 42 N 3.91 0.44 -0.05 2.92 0.31 -1.14 -2.52 118.33 122.20 1whh n VAL 42 Ca -0.21 -0.08 -0.05 0.00 -0.01 0.00 0.00 64.34 63.99 1whh n VAL 42 Cb 0.52 -2.18 -0.07 0.00 -0.91 0.00 0.00 33.84 31.19 1whh n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1whh n ARG 43 N 5.98 2.39 -3.65 5.55 5.12 -1.07 -0.81 116.66 130.17 1whh n ARG 43 Ca 0.18 -0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.93 1whh n ARG 43 Cb 0.38 -1.25 -0.15 0.00 -1.16 0.00 0.00 32.46 30.29 1whh n ARG 43 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1whh s PHE 44 N -2.23 -0.19 -0.25 -1.55 2.19 -1.21 -4.91 117.98 109.83 1whh s PHE 44 Ca -0.05 0.55 -0.02 0.00 0.33 0.00 0.00 56.93 57.75 1whh s PHE 44 Cb 0.03 -0.28 0.03 0.00 -1.31 0.00 0.00 43.02 41.49 1whh s PHE 44 CO 0.39 -0.32 -0.06 -0.47 1.83 0.00 0.00 175.22 176.59 1whh s TYR 45 N 2.30 3.08 0.00 10.12 5.04 -1.26 0.72 117.35 137.35 1whh s TYR 45 Ca 0.03 -1.56 0.00 0.00 -2.44 0.00 0.00 57.07 53.10 1whh s TYR 45 Cb -0.13 -2.06 0.00 0.00 0.35 0.00 0.00 41.96 40.12 1whh s TYR 45 CO -0.07 -0.73 0.00 0.41 -1.34 0.00 0.00 175.55 173.82 1whh n GLY 46 N 4.67 0.89 3.76 8.97 0.00 -1.01 -5.01 105.19 117.45 1whh n GLY 46 Ca -0.16 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 1whh n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1whh s LYS 47 N -2.00 4.30 0.37 1.61 1.02 -1.26 -2.97 119.74 120.81 1whh s LYS 47 Ca 0.00 2.27 0.02 0.00 0.02 0.00 0.00 55.97 58.28 1whh s LYS 47 Cb 0.00 -3.09 0.07 0.00 -0.52 0.00 0.00 37.83 34.29 1whh s LYS 47 CO 0.00 -0.32 0.51 0.25 -0.92 0.00 0.00 175.35 174.86 1whh n THR 48 N 1.61 0.00 -0.07 2.17 -2.24 -1.25 -4.96 114.28 109.54 1whh n THR 48 Ca 0.04 -0.95 -0.07 0.00 -2.27 0.00 0.00 64.05 60.79 1whh n THR 48 Cb 0.41 -0.95 -0.10 0.00 -2.10 0.00 0.00 70.33 67.59 1whh n THR 48 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1whh n ASP 49 N -2.81 1.73 0.01 3.42 -0.08 -1.26 -4.53 116.55 113.03 1whh n ASP 49 Ca 0.09 -0.01 -0.09 0.00 -1.51 0.00 0.00 54.79 53.27 1whh n ASP 49 Cb 0.33 0.74 0.05 0.00 2.34 0.00 0.00 41.12 44.58 1whh n ASP 49 CO 0.00 0.00 0.00 2.19 0.12 0.00 0.00 177.20 179.51 1whh h PHE 50 N 0.00 0.70 -3.97 -0.67 -5.15 -1.97 -3.45 116.94 102.43 1whh h PHE 50 Ca -0.37 -0.25 -0.37 0.00 -0.20 0.00 0.00 57.97 56.78 1whh h PHE 50 Cb 1.82 -0.13 -0.23 0.00 0.22 0.00 0.00 35.95 37.63 1whh h PHE 50 CO 0.00 0.98 -0.77 0.00 -2.00 0.00 0.00 178.31 176.53 1whh s ALA 51 N -3.98 0.92 1.00 12.09 0.00 -1.26 -5.16 121.76 125.36 1whh s ALA 51 Ca -0.07 -0.82 -0.00 0.00 0.00 0.00 0.00 51.96 51.07 1whh s ALA 51 Cb 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.16 1whh s ALA 51 CO 0.84 0.11 0.01 -0.35 0.00 0.00 0.00 175.76 176.37 1whh n PRO 52 N 1.62 -0.79 0.00 0.00 -0.04 -1.26 -3.92 135.00 130.61 1whh n PRO 52 Ca -0.20 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.24 1whh n PRO 52 Cb 0.55 -0.01 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 1whh n PRO 52 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1whh n GLY 53 N 3.00 0.75 3.80 0.55 0.00 -1.26 -4.74 105.19 107.30 1whh n GLY 53 Ca 0.00 -0.84 -0.24 0.00 0.00 0.00 0.00 46.02 44.94 1whh n GLY 53 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1whh s TYR 54 N 0.00 3.10 0.07 1.61 2.02 -1.26 -4.10 117.35 118.80 1whh s TYR 54 Ca 0.00 -0.08 -0.06 0.00 -0.37 0.00 0.00 57.07 56.56 1whh s TYR 54 Cb 0.00 -1.44 -0.02 0.00 -0.40 0.00 0.00 41.96 40.11 1whh s TYR 54 CO 0.00 0.52 0.11 -1.58 -1.57 0.00 0.00 175.55 173.03 1whh s TRP 55 N -1.97 0.28 -0.24 2.71 0.52 -1.16 -4.66 118.94 114.42 1whh s TRP 55 Ca 0.32 -0.75 -0.01 0.00 0.02 0.00 0.00 56.10 55.68 1whh s TRP 55 Cb -0.09 -0.18 0.03 0.00 -1.15 0.00 0.00 33.47 32.08 1whh s TRP 55 CO 0.24 -0.48 -0.08 0.71 0.02 0.00 0.00 176.95 177.36 1whh s TYR 56 N -3.81 3.05 -1.48 -1.98 1.51 -1.23 -2.42 117.35 111.00 1whh s TYR 56 Ca 0.05 -1.65 -0.11 0.00 -1.01 0.00 0.00 57.07 54.35 1whh s TYR 56 Cb 0.06 -2.03 0.02 0.00 -0.11 0.00 0.00 41.96 39.90 1whh s TYR 56 CO -0.10 -0.76 2.44 0.41 -1.11 0.00 0.00 175.55 176.43 1whh n GLY 57 N 4.64 4.49 3.77 0.71 0.00 0.22 -3.54 105.19 115.48 1whh n GLY 57 Ca -0.17 -1.67 -0.38 0.00 0.00 0.00 0.00 46.02 43.80 1whh n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1whh s ILE 58 N 2.05 3.39 -0.05 -0.61 1.01 -0.92 -2.60 121.20 123.47 1whh s ILE 58 Ca 0.54 1.18 -0.02 0.00 0.00 0.00 0.00 60.65 62.36 1whh s ILE 58 Cb 0.15 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 1whh s ILE 58 CO -0.07 0.13 0.07 -0.70 0.00 0.00 0.00 174.94 174.37 1whh s GLU 59 N -2.16 3.11 0.55 2.79 2.12 -1.05 0.10 118.70 124.17 1whh s GLU 59 Ca 0.54 -0.40 0.04 0.00 0.36 0.00 0.00 54.97 55.52 1whh s GLU 59 Cb -0.29 -2.90 0.06 0.00 0.26 0.00 0.00 34.13 31.26 1whh s GLU 59 CO 0.36 0.69 0.77 -0.51 -0.54 0.00 0.00 175.26 176.02 1whh s LEU 60 N -1.39 3.28 -0.17 2.70 1.43 0.08 -3.49 118.68 121.12 1whh s LEU 60 Ca 0.19 -0.35 0.11 0.00 -1.03 0.00 0.00 54.13 53.05 1whh s LEU 60 Cb -0.12 -2.40 -0.23 0.00 0.03 0.00 0.00 46.19 43.48 1whh s LEU 60 CO 0.09 -1.22 0.15 -0.67 0.23 0.00 0.00 176.35 174.93 1whh n ASP 61 N -2.29 0.82 -4.47 2.29 -0.08 -1.26 -4.90 116.55 106.67 1whh n ASP 61 Ca 0.11 0.07 -0.30 0.00 -1.51 0.00 0.00 54.79 53.16 1whh n ASP 61 Cb 0.60 0.29 -0.12 0.00 2.34 0.00 0.00 41.12 44.23 1whh n ASP 61 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1whh s GLN 62 N -2.52 2.00 -0.84 -0.67 -0.21 -1.26 -5.03 119.66 111.12 1whh s GLN 62 Ca -0.16 -1.03 -0.22 0.00 0.02 0.00 0.00 55.36 53.97 1whh s GLN 62 Cb 0.07 -2.17 -0.18 0.00 1.00 0.00 0.00 33.01 31.72 1whh s GLN 62 CO 0.77 0.53 2.21 -2.30 -2.12 0.00 0.00 175.29 174.38 1whh n PRO 63 N 1.36 0.32 -1.14 2.91 -0.02 -1.26 -4.35 135.00 132.83 1whh n PRO 63 Ca -0.16 -0.90 -0.05 0.00 -2.02 0.00 0.00 63.50 60.37 1whh n PRO 63 Cb 0.52 -3.21 -0.05 0.00 -0.02 0.00 0.00 33.50 30.74 1whh n PRO 63 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1whh n THR 64 N 8.14 0.01 -2.45 3.45 -2.24 0.39 -4.99 114.28 116.58 1whh n THR 64 Ca 0.45 -0.19 -0.24 0.00 -2.27 0.00 0.00 64.05 61.80 1whh n THR 64 Cb 0.40 0.59 0.10 0.00 -2.10 0.00 0.00 70.33 69.32 1whh n THR 64 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1whh s GLY 65 N -1.15 1.76 0.14 3.38 0.00 0.20 -4.91 107.32 106.74 1whh s GLY 65 Ca 0.05 -1.49 0.07 0.00 0.00 0.00 0.00 44.72 43.35 1whh s GLY 65 CO -0.03 -0.96 1.33 0.50 0.00 0.00 0.00 173.10 173.94 1whh h LYS 66 N -0.60 0.03 0.00 2.90 1.57 -1.80 -3.43 116.57 115.24 1whh h LYS 66 Ca -0.39 -0.04 -0.27 0.00 -1.87 0.00 0.00 60.65 58.08 1whh h LYS 66 Cb 1.27 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.53 1whh h LYS 66 CO 0.44 0.95 -0.14 -2.39 -0.57 0.00 0.00 179.45 177.74 1whh n HIS 67 N -3.45 -1.37 -1.98 -1.35 1.44 -1.21 -5.04 115.22 102.26 1whh n HIS 67 Ca -0.01 -2.21 -0.36 0.00 -2.01 0.00 0.00 57.72 53.13 1whh n HIS 67 Cb 0.89 0.51 0.03 0.00 0.12 0.00 0.00 29.99 31.54 1whh n HIS 67 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 1whh n ASP 68 N -1.66 6.83 0.00 4.39 5.68 -1.26 -2.44 116.55 128.08 1whh n ASP 68 Ca 0.01 -3.80 0.00 0.00 -0.50 0.00 0.00 54.79 50.49 1whh n ASP 68 Cb 0.55 -0.90 0.00 0.00 -1.14 0.00 0.00 41.12 39.63 1whh n ASP 68 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1whh n GLY 69 N -0.58 2.48 3.82 6.12 0.00 -1.26 -4.71 105.19 111.07 1whh n GLY 69 Ca 0.51 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 1whh n GLY 69 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1whh s SER 70 N 0.00 6.39 -0.30 1.61 1.04 -1.26 -3.64 113.70 117.55 1whh s SER 70 Ca 0.00 0.46 -0.02 0.00 0.48 0.00 0.00 55.95 56.87 1whh s SER 70 Cb 0.00 -2.10 0.05 0.00 0.10 0.00 0.00 66.02 64.06 1whh s SER 70 CO 0.00 0.31 -0.00 -0.69 0.98 0.00 0.00 173.24 173.84 1whh s VAL 71 N -0.55 3.03 -1.68 5.02 1.01 0.18 -4.62 120.40 122.79 1whh s VAL 71 Ca 0.14 -1.32 -0.02 0.00 0.00 0.00 0.00 61.98 60.79 1whh s VAL 71 Cb -0.12 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.54 1whh s VAL 71 CO 0.03 -0.07 0.22 0.49 0.00 0.00 0.00 175.10 175.77 1whh n PHE 72 N 4.64 -1.33 0.00 5.22 3.72 -1.26 -1.62 117.46 126.84 1whh n PHE 72 Ca -0.14 0.19 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1whh n PHE 72 Cb 0.44 -4.12 0.00 0.00 -0.94 0.00 0.00 39.48 34.86 1whh n PHE 72 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1whh n GLY 73 N -1.20 2.97 3.65 1.37 0.00 -1.26 -5.02 105.19 105.69 1whh n GLY 73 Ca -0.20 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 1whh n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1whh s VAL 74 N -2.79 4.41 0.14 1.61 1.01 -0.64 -4.99 120.40 119.14 1whh s VAL 74 Ca 0.00 1.65 -0.05 0.00 0.00 0.00 0.00 61.98 63.58 1whh s VAL 74 Cb 0.00 -4.24 -0.06 0.00 0.00 0.00 0.00 36.38 32.08 1whh s VAL 74 CO 0.00 -0.34 0.38 -0.60 0.00 0.00 0.00 175.10 174.54 1whh s ARG 75 N 3.65 3.63 0.00 2.72 3.52 -1.26 0.48 118.95 131.68 1whh s ARG 75 Ca 0.50 -0.06 0.00 0.00 -0.13 0.00 0.00 55.73 56.04 1whh s ARG 75 Cb -0.16 -2.86 0.00 0.00 -1.56 0.00 0.00 34.95 30.37 1whh s ARG 75 CO 0.15 0.47 0.00 0.66 -0.81 0.00 0.00 175.30 175.77 1whh n TYR 76 N 0.16 0.00 -3.97 5.12 4.02 -1.24 -4.98 117.16 116.27 1whh n TYR 76 Ca -0.03 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.77 1whh n TYR 76 Cb 0.52 0.14 -0.07 0.00 -0.02 0.00 0.00 39.34 39.90 1whh n TYR 76 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 176.86 175.26 1whh s PHE 77 N -1.78 0.42 -0.23 -0.72 -0.71 -1.26 -4.92 117.98 108.77 1whh s PHE 77 Ca 0.00 -0.79 -0.14 0.00 -1.04 0.00 0.00 56.93 54.96 1whh s PHE 77 Cb 0.00 -0.10 -0.04 0.00 -1.21 0.00 0.00 43.02 41.67 1whh s PHE 77 CO 0.00 -0.68 0.33 0.95 -1.34 0.00 0.00 175.22 174.48 1whh s THR 78 N -3.96 5.23 0.24 -4.49 -4.23 -1.26 -4.62 115.64 102.54 1whh s THR 78 Ca 0.17 0.53 -0.09 0.00 -1.18 0.00 0.00 61.69 61.12 1whh s THR 78 Cb 0.04 -3.66 -0.01 0.00 1.34 0.00 0.00 72.50 70.20 1whh s THR 78 CO -0.01 0.24 0.37 0.00 -0.54 0.00 0.00 174.62 174.69 1whh s ALA 80 N -4.00 2.11 -0.19 0.00 0.00 -1.26 -4.75 121.76 113.68 1whh s ALA 80 Ca 0.28 0.04 -0.36 0.00 0.00 0.00 0.00 51.96 51.92 1whh s ALA 80 Cb 0.02 -3.20 -0.13 0.00 0.00 0.00 0.00 23.12 19.81 1whh s ALA 80 CO 0.11 -1.84 1.89 -2.30 0.00 0.00 0.00 175.76 173.62 1whh n PRO 81 N -3.55 1.70 -3.16 0.00 -0.02 -1.26 -2.49 135.00 126.22 1whh n PRO 81 Ca 0.08 0.61 -0.10 0.00 -2.02 0.00 0.00 63.50 62.07 1whh n PRO 81 Cb 0.54 -2.46 0.04 0.00 -0.02 0.00 0.00 33.50 31.60 1whh n PRO 81 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1whh n ARG 82 N 6.53 -1.90 0.00 -0.52 3.00 -1.20 -4.59 116.66 117.98 1whh n ARG 82 Ca 0.27 1.08 0.00 0.00 -0.01 0.00 0.00 57.85 59.19 1whh n ARG 82 Cb 0.24 -5.76 0.00 0.00 0.00 0.00 0.00 32.46 26.94 1whh n ARG 82 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1whh n HIS 83 N -2.70 0.00 -1.96 -1.55 8.25 -1.02 -0.46 115.22 115.79 1whh n HIS 83 Ca -0.04 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.01 1whh n HIS 83 Cb 0.58 0.19 -0.00 0.00 1.12 0.00 0.00 29.99 31.87 1whh n HIS 83 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1whh s GLY 84 N -4.36 2.94 -0.07 -1.41 0.00 -1.22 -0.74 107.32 102.46 1whh s GLY 84 Ca 0.00 1.36 -0.03 0.00 0.00 0.00 0.00 44.72 46.05 1whh s GLY 84 CO 0.00 1.98 0.12 -1.34 0.00 0.00 0.00 173.10 173.87 1whh s VAL 85 N -1.20 -0.20 -0.34 1.40 -7.23 0.28 -2.65 120.40 110.46 1whh s VAL 85 Ca 0.56 0.38 -0.13 0.00 -1.81 0.00 0.00 61.98 60.98 1whh s VAL 85 Cb -0.41 -0.24 -0.02 0.00 0.56 0.00 0.00 36.38 36.27 1whh s VAL 85 CO 0.54 0.16 0.23 -0.36 -0.31 0.00 0.00 175.10 175.36 1whh s PHE 86 N 2.23 3.22 0.02 2.82 0.08 -1.25 -2.16 117.98 122.94 1whh s PHE 86 Ca 0.04 -0.24 0.01 0.00 0.12 0.00 0.00 56.93 56.86 1whh s PHE 86 Cb -0.12 -2.47 -0.01 0.00 -0.57 0.00 0.00 43.02 39.85 1whh s PHE 86 CO -0.05 -0.37 -0.04 0.00 -0.10 0.00 0.00 175.22 174.66 1whh s ALA 87 N 1.71 0.31 0.33 5.36 0.00 -1.23 -4.92 121.76 123.33 1whh s ALA 87 Ca 0.06 -0.44 -0.28 0.00 0.00 0.00 0.00 51.96 51.30 1whh s ALA 87 Cb -0.17 0.02 -0.12 0.00 0.00 0.00 0.00 23.12 22.85 1whh s ALA 87 CO 0.10 -0.02 1.33 -2.30 0.00 0.00 0.00 175.76 174.87 1whh n PRO 88 N 2.18 2.18 -0.18 0.00 -0.02 -1.26 -3.51 135.00 134.38 1whh n PRO 88 Ca -0.19 0.77 -0.02 0.00 -2.02 0.00 0.00 63.50 62.04 1whh n PRO 88 Cb 0.57 -2.37 0.04 0.00 -0.02 0.00 0.00 33.50 31.71 1whh n PRO 88 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1whh h ALA 89 N 2.88 0.28 -0.19 3.55 0.00 -1.90 1.42 119.26 125.30 1whh h ALA 89 Ca -0.46 0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.71 1whh h ALA 89 Cb 1.28 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 1whh h ALA 89 CO 0.65 -0.49 0.25 0.77 0.00 0.00 0.00 179.25 180.44 1whh h SER 90 N -0.05 0.00 0.89 0.00 0.02 -1.98 0.91 113.55 113.33 1whh h SER 90 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1whh h SER 90 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1whh h SER 90 CO -0.60 0.00 -0.63 0.03 -1.14 0.00 0.00 176.83 174.49 1whh h ARG 91 N 0.00 0.00 -6.18 3.45 3.08 0.15 -3.47 114.38 111.41 1whh h ARG 91 Ca 0.09 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.62 1whh h ARG 91 Cb 0.60 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.60 1whh h ARG 91 CO -0.00 0.00 -0.52 0.42 -1.07 0.00 0.00 179.97 178.80 1whh s ILE 92 N -3.17 4.66 0.27 2.04 1.01 0.31 -0.76 121.20 125.57 1whh s ILE 92 Ca 0.06 -1.17 0.05 0.00 0.00 0.00 0.00 60.65 59.59 1whh s ILE 92 Cb 0.13 -3.47 -0.06 0.00 0.01 0.00 0.00 42.46 39.08 1whh s ILE 92 CO 0.72 -0.25 -0.01 -1.10 0.00 0.00 0.00 174.94 174.31 1whh s GLN 93 N -3.57 1.50 0.01 2.79 -0.21 0.43 -4.88 119.66 115.73 1whh s GLN 93 Ca 0.33 -1.78 0.01 0.00 0.02 0.00 0.00 55.36 53.94 1whh s GLN 93 Cb -0.09 -0.88 -0.04 0.00 1.00 0.00 0.00 33.01 33.00 1whh s GLN 93 CO 0.25 -0.07 0.02 1.03 -2.12 0.00 0.00 175.29 174.41 1whh s ARG 94 N -3.82 2.83 -0.05 2.91 1.81 -1.26 -0.04 118.95 121.32 1whh s ARG 94 Ca 0.31 -0.60 0.02 0.00 -1.72 0.00 0.00 55.73 53.73 1whh s ARG 94 Cb 0.06 -2.70 -0.04 0.00 -0.45 0.00 0.00 34.95 31.81 1whh s ARG 94 CO 0.12 0.62 -0.03 -0.89 -0.68 0.00 0.00 175.30 174.44 1whh n ILE 95 N 1.27 0.32 -4.12 1.52 5.41 -0.42 -4.86 119.36 118.47 1whh n ILE 95 Ca -0.14 -0.15 -0.32 0.00 1.00 0.00 0.00 62.75 63.14 1whh n ILE 95 Cb 0.53 -0.76 -0.07 0.00 -0.71 0.00 0.00 39.64 38.63 1whh n ILE 95 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1whh s GLY 96 N -4.25 1.99 -0.28 7.39 0.00 -1.23 -5.02 107.32 105.92 1whh s GLY 96 Ca -0.06 -0.93 0.19 0.00 0.00 0.00 0.00 44.72 43.92 1whh s GLY 96 CO 0.15 -0.83 1.12 -1.14 0.00 0.00 0.00 173.10 172.40 1whh n SER 97 N 1.04 2.40 0.00 1.64 3.41 -1.26 -4.87 113.62 115.98 1whh n SER 97 Ca -0.12 -2.51 0.00 0.00 -0.26 0.00 0.00 58.87 55.98 1whh n SER 97 Cb 0.52 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1whh n SER 97 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1whh n GLY 98 N -0.58 -0.74 0.21 5.00 0.00 -1.26 -5.03 105.19 102.78 1whh n GLY 98 Ca 0.16 0.85 0.06 0.00 0.00 0.00 0.00 46.02 47.09 1whh n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whh h PRO 99 N 0.00 0.00 -2.55 1.61 0.13 -1.97 -3.35 132.00 125.88 1whh h PRO 99 Ca 0.00 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.53 1whh h PRO 99 Cb 0.00 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 30.74 1whh h PRO 99 CO 0.00 0.30 -0.85 -1.13 -0.23 0.00 0.00 178.00 176.09 1whh n SER 100 N -3.86 0.75 -4.06 1.44 3.41 -1.26 -5.10 113.62 104.94 1whh n SER 100 Ca -0.02 -2.68 -0.12 0.00 -0.26 0.00 0.00 58.87 55.80 1whh n SER 100 Cb 0.38 -0.62 -0.08 0.00 -0.26 0.00 0.00 64.21 63.63 1whh n SER 100 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1whh s SER 101 N -0.57 0.18 0.00 4.04 0.15 -1.26 -5.25 113.70 110.98 1whh s SER 101 Ca 0.31 -1.27 0.00 0.00 0.70 0.00 0.00 55.95 55.69 1whh s SER 101 Cb 0.03 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 1whh s SER 101 CO -0.18 -0.97 0.00 0.61 1.20 0.00 0.00 173.24 173.91