#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3imd s LYS 56 N 0.00 2.25 0.64 2.12 -0.14 -1.26 -5.13 119.74 118.22 3imd s LYS 56 Ca 0.00 -0.88 -0.16 0.00 -1.36 0.00 0.00 55.97 53.57 3imd s LYS 56 Cb 0.00 -2.02 -0.01 0.00 -1.68 0.00 0.00 37.83 34.12 3imd s LYS 56 CO 0.00 0.45 1.12 -1.25 -0.76 0.00 0.00 175.35 174.91 3imd s PRO 57 N -0.35 2.85 -0.01 -1.68 0.04 -1.26 -4.97 135.00 129.62 3imd s PRO 57 Ca 0.03 1.45 -0.30 0.00 0.04 0.00 0.00 61.00 62.22 3imd s PRO 57 Cb -0.12 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 3imd s PRO 57 CO 0.01 -1.22 1.20 -1.01 0.04 0.00 0.00 177.00 176.02 3imd s HIS 58 N -2.22 3.30 -2.00 0.56 3.76 -1.26 -4.92 115.29 112.50 3imd s HIS 58 Ca 0.68 1.26 0.03 0.00 -0.15 0.00 0.00 55.06 56.88 3imd s HIS 58 Cb -0.22 -3.41 0.20 0.00 1.11 0.00 0.00 32.58 30.26 3imd s HIS 58 CO 0.39 -1.28 0.94 -0.35 -0.85 0.00 0.00 174.74 173.60 3imd n PRO 59 N 4.65 0.80 0.00 8.40 -0.04 -1.26 -3.54 135.00 144.01 3imd n PRO 59 Ca 0.10 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.61 3imd n PRO 59 Cb 0.46 -1.06 -0.04 0.00 -0.04 0.00 0.00 33.50 32.82 3imd n PRO 59 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3imd n TRP 60 N -0.56 0.00 -3.19 0.54 4.27 -1.26 -4.78 117.44 112.46 3imd n TRP 60 Ca 0.02 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.21 3imd n TRP 60 Cb 0.01 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 29.89 3imd n TRP 60 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 3imd s PHE 61 N -1.80 3.12 -2.42 -2.67 5.36 -1.23 -0.10 117.98 118.24 3imd s PHE 61 Ca 0.06 -0.06 0.20 0.00 -0.96 0.00 0.00 56.93 56.16 3imd s PHE 61 Cb 0.08 -3.13 0.14 0.00 -0.34 0.00 0.00 43.02 39.77 3imd s PHE 61 CO 0.38 -0.74 1.12 1.19 -1.46 0.00 0.00 175.22 175.70 3imd n PHE 62 N 5.97 0.00 -4.66 10.12 3.01 -0.59 -4.98 117.46 126.32 3imd n PHE 62 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.42 3imd n PHE 62 Cb 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.95 3imd n PHE 62 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3imd n GLY 63 N 1.13 2.17 3.22 1.37 0.00 -1.25 -4.15 105.19 107.68 3imd n GLY 63 Ca 0.11 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 3imd n GLY 63 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3imd n LYS 64 N 13.36 3.39 -4.46 1.61 4.81 -1.26 -0.41 118.16 135.21 3imd n LYS 64 Ca 0.00 -3.56 -0.34 0.00 -0.87 0.00 0.00 58.31 53.53 3imd n LYS 64 Cb 0.00 -3.08 -0.11 0.00 0.02 0.00 0.00 35.03 31.86 3imd n LYS 64 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 3imd s ILE 65 N 1.67 4.04 0.79 3.15 -4.36 -1.26 -4.99 121.20 120.24 3imd s ILE 65 Ca 0.44 -0.34 -0.14 0.00 -0.26 0.00 0.00 60.65 60.34 3imd s ILE 65 Cb 0.04 -2.70 0.05 0.00 1.25 0.00 0.00 42.46 41.10 3imd s ILE 65 CO 0.01 0.58 1.05 -2.65 0.24 0.00 0.00 174.94 174.16 3imd n PRO 66 N 2.44 0.26 -0.33 0.37 -0.02 -1.26 -4.77 135.00 131.69 3imd n PRO 66 Ca -0.18 0.15 0.08 0.00 -2.02 0.00 0.00 63.50 61.54 3imd n PRO 66 Cb 0.53 -2.31 0.28 0.00 -0.02 0.00 0.00 33.50 31.99 3imd n PRO 66 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3imd h ARG 67 N -0.73 0.88 -0.34 -0.52 2.43 -1.99 -1.59 114.38 112.53 3imd h ARG 67 Ca -0.46 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 58.54 3imd h ARG 67 Cb 1.31 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 3imd h ARG 67 CO 0.45 0.58 -0.26 0.00 -1.51 0.00 0.00 179.97 179.23 3imd h ALA 68 N 1.56 0.90 0.00 2.80 0.00 -2.00 -2.42 119.26 120.10 3imd h ALA 68 Ca 0.47 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3imd h ALA 68 Cb 0.53 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3imd h ALA 68 CO -0.23 0.62 -0.48 0.87 0.00 0.00 0.00 179.25 180.02 3imd h LYS 69 N 0.60 0.00 -0.38 0.00 1.79 -1.66 -1.10 116.57 115.83 3imd h LYS 69 Ca 0.08 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.39 3imd h LYS 69 Cb 0.75 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.40 3imd h LYS 69 CO 0.06 0.48 -0.37 0.00 -1.08 0.00 0.00 179.45 178.54 3imd h ALA 70 N 1.52 0.55 -0.38 3.86 0.00 -1.08 -1.87 119.26 121.85 3imd h ALA 70 Ca -0.00 -0.45 -0.14 0.00 0.00 0.00 0.00 54.91 54.32 3imd h ALA 70 Cb 0.87 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3imd h ALA 70 CO 0.06 0.65 -0.30 0.93 0.00 0.00 0.00 179.25 180.59 3imd h GLU 71 N 0.73 0.84 -0.28 0.00 5.08 -1.18 -0.80 114.58 118.97 3imd h GLU 71 Ca 0.06 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 58.01 3imd h GLU 71 Cb 0.97 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 3imd h GLU 71 CO 0.09 1.03 0.10 1.49 -1.00 0.00 0.00 179.01 180.72 3imd h GLU 72 N 0.71 0.42 0.18 2.33 4.81 -1.14 -1.53 114.58 120.37 3imd h GLU 72 Ca 0.08 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3imd h GLU 72 Cb 0.85 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.17 3imd h GLU 72 CO 0.07 0.47 -0.08 1.98 -0.73 0.00 0.00 179.01 180.72 3imd h MET 73 N 0.29 -0.23 0.00 1.92 4.05 -1.24 -3.22 114.93 116.50 3imd h MET 73 Ca 0.09 0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.50 3imd h MET 73 Cb 0.21 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.06 3imd h MET 73 CO -0.01 0.03 -0.15 -0.07 0.23 0.00 0.00 176.91 176.95 3imd h LEU 74 N -0.48 0.00 -1.51 3.39 3.38 -1.14 -2.70 115.31 116.25 3imd h LEU 74 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3imd h LEU 74 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3imd h LEU 74 CO 0.04 0.15 0.00 0.28 0.09 0.00 0.00 178.44 179.00 3imd h SER 75 N 0.00 0.00 0.47 -0.43 0.02 -1.28 -2.10 113.55 110.23 3imd h SER 75 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3imd h SER 75 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 3imd h SER 75 CO 0.02 0.00 -0.54 0.29 -1.14 0.00 0.00 176.83 175.46 3imd n LYS 76 N -2.91 0.01 -2.71 3.45 5.02 -1.02 -4.89 118.16 115.12 3imd n LYS 76 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 3imd n LYS 76 Cb 0.25 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.71 3imd n LYS 76 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3imd s GLN 77 N -3.00 4.77 0.08 1.97 -1.52 -0.79 -4.99 119.66 116.18 3imd s GLN 77 Ca 0.11 1.51 -0.07 0.00 -1.95 0.00 0.00 55.36 54.96 3imd s GLN 77 Cb 0.17 -3.31 -0.24 0.00 -0.22 0.00 0.00 33.01 29.41 3imd s GLN 77 CO 0.71 0.36 1.17 0.00 -0.25 0.00 0.00 175.29 177.27 3imd h ARG 78 N 4.74 0.39 -5.58 2.91 3.08 -1.90 -3.47 114.38 114.55 3imd h ARG 78 Ca -0.44 -0.56 -0.65 0.00 0.07 0.00 0.00 59.98 58.39 3imd h ARG 78 Cb 1.21 0.19 -0.10 0.00 0.08 0.00 0.00 29.97 31.35 3imd h ARG 78 CO 0.70 1.24 -0.50 -1.01 -1.07 0.00 0.00 179.97 179.32 3imd s HIS 79 N -2.86 3.49 0.27 3.04 3.76 -1.26 -5.01 115.29 116.72 3imd s HIS 79 Ca -0.06 0.42 -0.30 0.00 -0.15 0.00 0.00 55.06 54.98 3imd s HIS 79 Cb 0.07 -1.98 -0.10 0.00 1.11 0.00 0.00 32.58 31.68 3imd s HIS 79 CO 0.89 0.58 1.40 -0.51 -0.85 0.00 0.00 174.74 176.26 3imd s ASP 80 N -0.64 6.68 0.00 1.40 1.01 -1.26 -2.59 116.67 121.27 3imd s ASP 80 Ca 0.13 2.67 0.00 0.00 0.71 0.00 0.00 52.55 56.05 3imd s ASP 80 Cb -0.12 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.18 3imd s ASP 80 CO 0.02 -0.66 0.00 0.61 0.21 0.00 0.00 175.17 175.36 3imd n GLY 81 N 1.83 1.93 3.70 0.21 0.00 0.06 -4.81 105.19 108.11 3imd n GLY 81 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3imd n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3imd s ALA 82 N -2.40 3.81 0.34 4.61 0.00 -1.07 -1.43 121.76 125.62 3imd s ALA 82 Ca 0.00 1.49 0.08 0.00 0.00 0.00 0.00 51.96 53.53 3imd s ALA 82 Cb 0.00 -3.75 -0.03 0.00 0.00 0.00 0.00 23.12 19.34 3imd s ALA 82 CO 0.00 -1.15 0.29 1.97 0.00 0.00 0.00 175.76 176.87 3imd n PHE 83 N 5.25 -0.82 -3.52 0.00 1.16 -1.21 -0.64 117.46 117.68 3imd n PHE 83 Ca 0.17 -2.86 -0.18 0.00 -1.87 0.00 0.00 57.45 52.71 3imd n PHE 83 Cb 0.37 0.30 -0.06 0.00 -1.61 0.00 0.00 39.48 38.48 3imd n PHE 83 CO 0.00 0.00 0.00 -0.48 -1.87 0.00 0.00 176.76 174.41 3imd s LEU 84 N 0.00 -0.66 -0.15 5.98 0.05 -0.80 -4.49 118.68 118.61 3imd s LEU 84 Ca 0.41 0.73 -0.04 0.00 0.05 0.00 0.00 54.13 55.28 3imd s LEU 84 Cb 0.02 2.53 -0.03 0.00 -2.05 0.00 0.00 46.19 46.66 3imd s LEU 84 CO 0.29 -0.60 -0.03 -0.63 -0.55 0.00 0.00 176.35 174.82 3imd s ILE 85 N -1.16 3.92 0.22 1.48 -1.09 0.86 -1.62 121.20 123.81 3imd s ILE 85 Ca -0.11 -0.35 0.04 0.00 -2.23 0.00 0.00 60.65 58.00 3imd s ILE 85 Cb -0.00 -2.71 -0.05 0.00 -1.58 0.00 0.00 42.46 38.11 3imd s ILE 85 CO 0.10 0.50 -0.03 0.00 -1.23 0.00 0.00 174.94 174.28 3imd s ARG 86 N 0.30 1.32 -0.37 2.79 1.70 -0.25 -1.54 118.95 122.90 3imd s ARG 86 Ca -0.03 -1.65 -0.15 0.00 -0.47 0.00 0.00 55.73 53.43 3imd s ARG 86 Cb -0.14 -0.70 -0.00 0.00 -0.57 0.00 0.00 34.95 33.54 3imd s ARG 86 CO 0.03 -0.04 0.32 -1.21 -1.08 0.00 0.00 175.30 173.32 3imd s GLU 87 N -3.82 3.36 0.31 3.89 2.02 0.46 -0.93 118.70 123.98 3imd s GLU 87 Ca 0.26 -0.66 -0.29 0.00 0.02 0.00 0.00 54.97 54.31 3imd s GLU 87 Cb 0.05 -3.86 -0.13 0.00 0.10 0.00 0.00 34.13 30.29 3imd s GLU 87 CO 0.08 -0.59 1.31 0.45 0.02 0.00 0.00 175.26 176.52 3imd n SER 88 N 5.28 2.67 -0.05 -0.19 2.88 -0.28 -4.46 113.62 119.47 3imd n SER 88 Ca -0.10 1.19 -0.10 0.00 -1.33 0.00 0.00 58.87 58.52 3imd n SER 88 Cb 0.49 -1.45 -0.15 0.00 -0.75 0.00 0.00 64.21 62.35 3imd n SER 88 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3imd n GLU 89 N 1.03 0.66 0.11 -1.46 1.02 -1.26 -3.78 120.64 116.97 3imd n GLU 89 Ca 0.07 0.18 -0.03 0.00 -0.02 0.00 0.00 57.16 57.36 3imd n GLU 89 Cb 0.34 -1.68 0.08 0.00 -0.02 0.00 0.00 31.44 30.17 3imd n GLU 89 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3imd h SER 90 N 0.00 0.00 -2.94 1.62 4.64 -1.97 -3.38 113.55 111.52 3imd h SER 90 Ca -0.40 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.32 3imd h SER 90 Cb 2.10 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 63.79 3imd h SER 90 CO 0.06 0.73 -0.79 0.00 -0.87 0.00 0.00 176.83 175.95 3imd s ALA 91 N -3.33 2.10 0.22 5.18 0.00 -1.26 -5.12 121.76 119.55 3imd s ALA 91 Ca -0.01 -2.72 -0.32 0.00 0.00 0.00 0.00 51.96 48.92 3imd s ALA 91 Cb 0.12 -1.82 -0.12 0.00 0.00 0.00 0.00 23.12 21.30 3imd s ALA 91 CO 0.78 -2.05 1.67 -2.30 0.00 0.00 0.00 175.76 173.87 3imd n PRO 92 N 3.05 2.65 0.00 0.00 -0.02 -1.25 -1.97 135.00 137.47 3imd n PRO 92 Ca 0.18 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.62 3imd n PRO 92 Cb 0.39 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.10 3imd n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3imd n GLY 93 N 3.56 2.00 3.83 -1.23 0.00 -1.26 -5.06 105.19 107.02 3imd n GLY 93 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3imd n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3imd s ASP 94 N -1.47 5.80 0.23 1.61 -0.00 -0.83 -5.04 116.67 116.97 3imd s ASP 94 Ca 0.00 0.06 0.06 0.00 -0.00 0.00 0.00 52.55 52.67 3imd s ASP 94 Cb 0.00 -1.63 -0.04 0.00 -0.00 0.00 0.00 42.92 41.26 3imd s ASP 94 CO 0.00 0.15 0.20 -0.36 -0.00 0.00 0.00 175.17 175.16 3imd s PHE 95 N -1.50 3.16 0.02 4.23 0.40 -1.26 -1.13 117.98 121.90 3imd s PHE 95 Ca 0.31 -0.08 0.01 0.00 -0.60 0.00 0.00 56.93 56.57 3imd s PHE 95 Cb -0.12 -1.44 -0.02 0.00 0.51 0.00 0.00 43.02 41.95 3imd s PHE 95 CO 0.24 0.51 -0.05 -1.12 0.70 0.00 0.00 175.22 175.51 3imd s SER 96 N -3.71 0.52 -0.15 1.36 0.01 -0.11 -1.64 113.70 109.97 3imd s SER 96 Ca 0.33 -0.39 -0.03 0.00 1.31 0.00 0.00 55.95 57.17 3imd s SER 96 Cb -0.08 0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.16 3imd s SER 96 CO 0.25 -0.16 -0.07 -0.22 0.41 0.00 0.00 173.24 173.45 3imd s LEU 97 N -1.11 3.05 -0.15 2.44 2.96 0.56 -1.09 118.68 125.33 3imd s LEU 97 Ca -0.09 -0.22 0.02 0.00 -0.22 0.00 0.00 54.13 53.62 3imd s LEU 97 Cb -0.07 -1.73 0.01 0.00 0.50 0.00 0.00 46.19 44.90 3imd s LEU 97 CO -0.00 0.15 -0.21 -0.44 -1.32 0.00 0.00 176.35 174.52 3imd s SER 98 N 0.48 3.12 0.02 3.68 0.01 -0.64 -0.09 113.70 120.28 3imd s SER 98 Ca -0.05 -0.62 0.06 0.00 1.31 0.00 0.00 55.95 56.65 3imd s SER 98 Cb -0.15 -1.46 -0.02 0.00 0.21 0.00 0.00 66.02 64.61 3imd s SER 98 CO 0.03 0.05 -0.19 -0.69 0.41 0.00 0.00 173.24 172.86 3imd s VAL 99 N 0.97 1.52 -0.00 3.43 1.01 0.55 -1.90 120.40 125.98 3imd s VAL 99 Ca -0.03 -1.01 -0.25 0.00 0.00 0.00 0.00 61.98 60.70 3imd s VAL 99 Cb -0.15 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 3imd s VAL 99 CO -0.06 0.27 0.76 -0.75 0.00 0.00 0.00 175.10 175.32 3imd s LYS 100 N -0.86 4.47 -0.27 2.72 2.47 0.19 -0.48 119.74 127.98 3imd s LYS 100 Ca 0.07 1.02 -0.01 0.00 -1.56 0.00 0.00 55.97 55.49 3imd s LYS 100 Cb -0.08 -3.40 0.14 0.00 -1.46 0.00 0.00 37.83 33.02 3imd s LYS 100 CO 0.01 0.17 0.34 0.12 0.16 0.00 0.00 175.35 176.15 3imd s PHE 101 N 0.38 -0.70 0.00 4.03 2.19 -0.65 -0.76 117.98 122.48 3imd s PHE 101 Ca 0.39 0.29 0.00 0.00 0.33 0.00 0.00 56.93 57.94 3imd s PHE 101 Cb -0.19 -0.23 0.00 0.00 -1.31 0.00 0.00 43.02 41.29 3imd s PHE 101 CO 0.21 -0.85 0.00 0.41 1.83 0.00 0.00 175.22 176.83 3imd n GLY 102 N 5.34 3.08 1.31 13.12 0.00 -1.26 -1.89 105.19 124.88 3imd n GLY 102 Ca -0.02 -0.18 0.09 0.00 0.00 0.00 0.00 46.02 45.91 3imd n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3imd n ASN 103 N 6.75 3.83 -4.51 1.61 4.13 -1.26 -4.93 115.26 120.88 3imd n ASN 103 Ca 0.00 -2.18 -0.24 0.00 1.68 0.00 0.00 54.58 53.84 3imd n ASN 103 Cb 0.00 -0.48 -0.11 0.00 -1.54 0.00 0.00 39.78 37.65 3imd n ASN 103 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3imd s ASP 104 N -0.93 3.30 -0.12 6.41 1.01 -0.79 -5.08 116.67 120.47 3imd s ASP 104 Ca 0.44 -1.24 -0.00 0.00 0.71 0.00 0.00 52.55 52.46 3imd s ASP 104 Cb 0.26 -0.27 0.02 0.00 1.01 0.00 0.00 42.92 43.94 3imd s ASP 104 CO 0.26 -0.33 -0.10 -0.69 0.21 0.00 0.00 175.17 174.52 3imd s VAL 105 N -2.83 1.22 -0.09 -1.27 1.01 -1.26 -1.64 120.40 115.54 3imd s VAL 105 Ca 0.32 -0.41 -0.13 0.00 0.00 0.00 0.00 61.98 61.76 3imd s VAL 105 Cb 0.05 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 3imd s VAL 105 CO 0.15 0.40 0.32 -1.10 0.00 0.00 0.00 175.10 174.87 3imd s GLN 106 N 1.58 3.99 -0.08 2.72 -0.21 0.36 -4.91 119.66 123.12 3imd s GLN 106 Ca 0.04 0.20 0.03 0.00 0.02 0.00 0.00 55.36 55.65 3imd s GLN 106 Cb -0.13 -3.31 -0.02 0.00 1.00 0.00 0.00 33.01 30.55 3imd s GLN 106 CO -0.08 0.50 -0.15 -1.01 -2.12 0.00 0.00 175.29 172.43 3imd s HIS 107 N -0.36 2.72 -0.01 0.91 3.76 -1.26 -0.33 115.29 120.71 3imd s HIS 107 Ca 0.20 -0.36 0.05 0.00 -0.15 0.00 0.00 55.06 54.79 3imd s HIS 107 Cb -0.14 -1.70 -0.01 0.00 1.11 0.00 0.00 32.58 31.84 3imd s HIS 107 CO 0.08 0.03 -0.16 -0.06 -0.85 0.00 0.00 174.74 173.78 3imd s PHE 108 N -0.33 1.43 -0.04 1.40 0.40 0.88 -4.99 117.98 116.73 3imd s PHE 108 Ca 0.03 -0.28 -0.20 0.00 -0.60 0.00 0.00 56.93 55.88 3imd s PHE 108 Cb -0.13 -0.93 -0.05 0.00 0.51 0.00 0.00 43.02 42.43 3imd s PHE 108 CO 0.02 -0.03 0.57 -1.59 0.70 0.00 0.00 175.22 174.89 3imd s LYS 109 N -0.34 4.32 -0.47 0.44 -2.85 -1.26 -0.32 119.74 119.25 3imd s LYS 109 Ca 0.05 0.67 -0.25 0.00 -1.00 0.00 0.00 55.97 55.44 3imd s LYS 109 Cb -0.06 -3.37 0.03 0.00 -2.06 0.00 0.00 37.83 32.36 3imd s LYS 109 CO -0.00 0.29 0.91 0.08 0.10 0.00 0.00 175.35 176.72 3imd s VAL 110 N 0.10 4.49 0.42 1.79 1.01 -0.65 -4.68 120.40 122.88 3imd s VAL 110 Ca 0.30 0.63 -0.10 0.00 0.00 0.00 0.00 61.98 62.81 3imd s VAL 110 Cb -0.17 -4.43 -0.06 0.00 0.00 0.00 0.00 36.38 31.71 3imd s VAL 110 CO 0.15 -0.86 0.79 -0.76 0.00 0.00 0.00 175.10 174.43 3imd s LEU 111 N 3.71 3.78 0.07 3.92 1.43 0.54 -4.42 118.68 127.71 3imd s LEU 111 Ca 0.35 1.14 0.08 0.00 -1.03 0.00 0.00 54.13 54.67 3imd s LEU 111 Cb -0.11 -4.04 -0.03 0.00 0.03 0.00 0.00 46.19 42.05 3imd s LEU 111 CO 0.25 -0.44 -0.22 -0.13 0.23 0.00 0.00 176.35 176.04 3imd s ARG 112 N -4.00 1.31 0.00 1.70 1.81 -1.26 -1.21 118.95 117.30 3imd s ARG 112 Ca 0.51 -1.07 0.00 0.00 -1.72 0.00 0.00 55.73 53.45 3imd s ARG 112 Cb -0.10 -1.52 0.00 0.00 -0.45 0.00 0.00 34.95 32.88 3imd s ARG 112 CO 0.33 0.37 0.00 -0.40 -0.68 0.00 0.00 175.30 174.93 3imd n ASP 113 N 1.46 0.00 0.18 0.23 5.75 -0.89 -4.95 116.55 118.33 3imd n ASP 113 Ca -0.18 -0.53 0.03 0.00 -0.01 0.00 0.00 54.79 54.10 3imd n ASP 113 Cb 0.53 0.00 0.33 0.00 -1.03 0.00 0.00 41.12 40.95 3imd n ASP 113 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3imd h GLY 114 N 0.00 0.00 0.60 6.12 0.00 -2.02 -3.02 103.07 104.75 3imd h GLY 114 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3imd h GLY 114 CO 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 176.54 176.25 3imd n ALA 115 N -2.41 3.12 -0.37 3.60 0.00 -1.26 -4.94 120.51 118.25 3imd n ALA 115 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.07 3imd n ALA 115 Cb 0.47 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3imd n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3imd n GLY 116 N 1.38 0.79 3.80 0.00 0.00 -1.14 -5.08 105.19 104.93 3imd n GLY 116 Ca 0.11 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 3imd n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3imd s LYS 117 N -0.70 4.40 -0.02 1.61 1.02 -1.26 -4.81 119.74 119.98 3imd s LYS 117 Ca 0.00 1.23 -0.10 0.00 0.02 0.00 0.00 55.97 57.11 3imd s LYS 117 Cb 0.00 -2.49 -0.05 0.00 -0.52 0.00 0.00 37.83 34.77 3imd s LYS 117 CO 0.00 0.12 0.30 0.71 -0.92 0.00 0.00 175.35 175.56 3imd s TYR 118 N -1.90 3.65 0.17 3.18 1.51 0.39 -2.11 117.35 122.24 3imd s TYR 118 Ca 0.56 0.76 -0.19 0.00 -1.01 0.00 0.00 57.07 57.19 3imd s TYR 118 Cb -0.14 -2.12 0.04 0.00 -0.11 0.00 0.00 41.96 39.64 3imd s TYR 118 CO 0.18 0.65 0.52 -0.59 -1.11 0.00 0.00 175.55 175.21 3imd s PHE 119 N -1.14 -0.29 -0.12 2.71 -0.12 -0.35 -0.31 117.98 118.36 3imd s PHE 119 Ca 0.23 -0.01 0.01 0.00 -0.05 0.00 0.00 56.93 57.11 3imd s PHE 119 Cb -0.14 0.42 -0.08 0.00 -0.63 0.00 0.00 43.02 42.59 3imd s PHE 119 CO 0.12 -0.84 -0.11 1.28 -0.05 0.00 0.00 175.22 175.62 3imd n LEU 120 N -0.32 2.92 0.00 -1.99 4.77 -1.26 -0.34 117.00 120.77 3imd n LEU 120 Ca -0.14 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 3imd n LEU 120 Cb 0.64 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3imd n LEU 120 CO 0.15 0.69 0.00 0.79 -1.33 0.00 0.00 177.39 177.69 3imd n TRP 121 N -2.88 0.00 0.00 -1.77 7.02 -1.26 -4.88 117.44 113.67 3imd n TRP 121 Ca -0.21 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.27 3imd n TRP 121 Cb 0.72 0.01 0.00 0.00 -2.42 0.00 0.00 31.31 29.62 3imd n TRP 121 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 3imd n VAL 122 N -1.08 0.00 -2.32 -0.99 0.24 -1.26 -5.05 118.33 107.87 3imd n VAL 122 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.88 3imd n VAL 122 Cb 0.00 -1.13 -0.03 0.00 -1.47 0.00 0.00 33.84 31.21 3imd n VAL 122 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3imd s VAL 123 N -1.96 3.99 0.15 3.34 1.01 -1.26 -5.04 120.40 120.63 3imd s VAL 123 Ca 0.00 1.31 0.06 0.00 0.00 0.00 0.00 61.98 63.35 3imd s VAL 123 Cb 0.00 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 3imd s VAL 123 CO 0.00 -0.03 0.02 -1.59 0.00 0.00 0.00 175.10 173.50 3imd s LYS 124 N 2.64 2.52 0.13 2.72 -2.85 -1.26 -4.47 119.74 119.16 3imd s LYS 124 Ca 0.60 -1.00 0.04 0.00 -1.00 0.00 0.00 55.97 54.61 3imd s LYS 124 Cb -0.28 -2.45 -0.04 0.00 -2.06 0.00 0.00 37.83 33.00 3imd s LYS 124 CO 0.23 0.48 -0.11 -0.06 0.10 0.00 0.00 175.35 175.99 3imd s PHE 125 N -1.63 1.23 -0.78 1.78 0.40 0.58 -4.93 117.98 114.63 3imd s PHE 125 Ca 0.28 -0.69 0.23 0.00 -0.60 0.00 0.00 56.93 56.15 3imd s PHE 125 Cb -0.10 -0.64 0.90 0.00 0.51 0.00 0.00 43.02 43.69 3imd s PHE 125 CO 0.19 0.07 1.70 0.09 0.70 0.00 0.00 175.22 177.98 3imd n ASN 126 N 0.18 0.39 -3.74 1.36 3.02 -1.26 -0.46 115.26 114.75 3imd n ASN 126 Ca -0.13 0.57 -0.10 0.00 -0.03 0.00 0.00 54.58 54.89 3imd n ASN 126 Cb 0.59 -0.66 -0.04 0.00 -0.61 0.00 0.00 39.78 39.06 3imd n ASN 126 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3imd s SER 127 N -3.73 -0.22 0.25 6.41 1.04 -1.26 -4.88 113.70 111.31 3imd s SER 127 Ca 0.08 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.03 3imd s SER 127 Cb 0.12 0.54 0.32 0.00 0.10 0.00 0.00 66.02 67.10 3imd s SER 127 CO 0.43 -0.99 1.67 -0.07 0.98 0.00 0.00 173.24 175.26 3imd h LEU 128 N 2.27 0.57 -0.58 2.42 3.38 -1.96 -2.49 115.31 118.92 3imd h LEU 128 Ca -0.30 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.50 3imd h LEU 128 Cb 1.26 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.80 3imd h LEU 128 CO 0.41 0.83 0.32 -1.13 0.09 0.00 0.00 178.44 178.95 3imd h ASN 129 N 0.48 0.47 0.66 -0.43 -0.00 -1.99 0.36 115.58 115.14 3imd h ASN 129 Ca 0.06 0.02 -0.17 0.00 -0.00 0.00 0.00 56.30 56.22 3imd h ASN 129 Cb 0.74 -0.07 -0.02 0.00 -0.00 0.00 0.00 38.32 38.97 3imd h ASN 129 CO 0.06 0.32 -0.76 -0.33 -0.00 0.00 0.00 177.43 176.71 3imd h GLU 130 N 0.60 0.08 -0.28 6.67 5.08 -1.94 -2.04 114.58 122.76 3imd h GLU 130 Ca 0.25 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 3imd h GLU 130 Cb 0.13 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3imd h GLU 130 CO -0.16 0.80 -0.01 1.25 -1.00 0.00 0.00 179.01 179.89 3imd h LEU 131 N 0.05 0.49 -0.14 1.33 5.85 -0.95 -1.64 115.31 120.30 3imd h LEU 131 Ca -0.02 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 3imd h LEU 131 Cb 1.35 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 3imd h LEU 131 CO 0.11 0.70 0.06 0.58 -0.34 0.00 0.00 178.44 179.55 3imd h VAL 132 N 0.28 1.13 -0.52 1.05 2.07 -0.93 -2.65 116.25 116.69 3imd h VAL 132 Ca 0.08 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 3imd h VAL 132 Cb 0.45 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3imd h VAL 132 CO 0.02 0.12 0.12 0.44 0.02 0.00 0.00 177.57 178.29 3imd h ASP 133 N 0.09 0.74 -0.56 0.57 3.32 -1.31 -2.58 116.42 116.69 3imd h ASP 133 Ca 0.05 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 56.88 3imd h ASP 133 Cb 0.14 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 3imd h ASP 133 CO -0.01 0.73 0.01 0.22 -1.72 0.00 0.00 179.24 178.48 3imd h TYR 134 N 0.77 1.07 0.00 4.55 3.20 -1.25 -2.80 116.97 122.50 3imd h TYR 134 Ca 0.17 -0.18 0.00 0.00 3.14 0.00 0.00 58.73 61.86 3imd h TYR 134 Cb 0.29 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.28 3imd h TYR 134 CO 0.02 0.96 0.00 0.72 -1.64 0.00 0.00 178.16 178.22 3imd n HIS 135 N -4.26 0.00 0.13 -3.82 8.25 -0.98 -2.31 115.22 112.23 3imd n HIS 135 Ca 0.02 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.53 3imd n HIS 135 Cb 0.33 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.46 3imd n HIS 135 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3imd h ARG 136 N 0.00 0.00 -0.00 -0.41 3.08 -1.37 -1.64 114.38 114.05 3imd h ARG 136 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3imd h ARG 136 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3imd h ARG 136 CO 0.00 0.29 -0.05 -1.13 -1.07 0.00 0.00 179.97 178.01 3imd n SER 137 N -3.06 0.53 -3.99 7.04 3.41 -0.98 -4.35 113.62 112.23 3imd n SER 137 Ca -0.00 -0.77 -0.23 0.00 -0.26 0.00 0.00 58.87 57.61 3imd n SER 137 Cb 0.69 0.58 -0.16 0.00 -0.26 0.00 0.00 64.21 65.06 3imd n SER 137 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3imd s THR 138 N -0.74 0.95 0.35 6.66 2.01 -1.00 -5.10 115.64 118.77 3imd s THR 138 Ca 0.01 -0.37 -0.28 0.00 0.31 0.00 0.00 61.69 61.36 3imd s THR 138 Cb 0.01 -0.89 -0.12 0.00 0.01 0.00 0.00 72.50 71.51 3imd s THR 138 CO 0.05 0.31 1.25 -0.24 -0.69 0.00 0.00 174.62 175.30 3imd n SER 139 N 3.85 2.53 0.19 3.53 2.88 -1.26 -4.30 113.62 121.04 3imd n SER 139 Ca -0.24 1.19 0.12 0.00 -1.33 0.00 0.00 58.87 58.61 3imd n SER 139 Cb 0.52 -1.46 0.12 0.00 -0.75 0.00 0.00 64.21 62.64 3imd n SER 139 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 3imd h VAL 140 N 2.41 0.02 -3.22 2.46 -1.51 -1.63 -3.47 116.25 111.31 3imd h VAL 140 Ca -0.45 -1.03 -0.65 0.00 -1.23 0.00 0.00 66.70 63.34 3imd h VAL 140 Cb 1.29 1.89 -0.10 0.00 -2.13 0.00 0.00 31.29 32.24 3imd h VAL 140 CO 0.62 0.01 -0.61 -0.55 -1.23 0.00 0.00 177.57 175.81 3imd s SER 141 N -6.00 5.41 0.00 4.19 0.15 -1.26 -5.01 113.70 111.18 3imd s SER 141 Ca 0.05 -0.01 0.23 0.00 0.70 0.00 0.00 55.95 56.92 3imd s SER 141 Cb 0.06 -1.44 0.17 0.00 -1.71 0.00 0.00 66.02 63.10 3imd s SER 141 CO 0.70 0.20 1.19 0.54 1.20 0.00 0.00 173.24 177.08 3imd n ARG 142 N 0.73 0.89 -0.03 5.44 1.74 -1.26 -4.28 116.66 119.88 3imd n ARG 142 Ca -0.10 -0.68 0.02 0.00 -0.77 0.00 0.00 57.85 56.31 3imd n ARG 142 Cb 0.52 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.38 3imd n ARG 142 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3imd n ASN 143 N -0.46 2.10 -4.04 0.55 3.02 -1.26 -5.04 115.26 110.13 3imd n ASN 143 Ca 0.09 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.57 3imd n ASN 143 Cb 0.41 1.28 -0.09 0.00 -0.61 0.00 0.00 39.78 40.77 3imd n ASN 143 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3imd s GLN 144 N -2.65 0.68 -0.77 3.52 1.11 -1.26 -5.10 119.66 115.19 3imd s GLN 144 Ca -0.05 -1.18 -0.20 0.00 0.01 0.00 0.00 55.36 53.95 3imd s GLN 144 Cb 0.06 0.24 0.11 0.00 -1.01 0.00 0.00 33.01 32.42 3imd s GLN 144 CO 0.51 -0.15 0.96 -0.65 0.01 0.00 0.00 175.29 175.96 3imd s GLN 145 N -3.91 3.33 -0.23 2.91 -1.52 -1.26 -4.20 119.66 114.77 3imd s GLN 145 Ca 0.07 -1.44 0.02 0.00 -1.95 0.00 0.00 55.36 52.06 3imd s GLN 145 Cb 0.07 -4.53 0.05 0.00 -0.22 0.00 0.00 33.01 28.38 3imd s GLN 145 CO -0.10 -1.70 -0.14 0.42 -0.25 0.00 0.00 175.29 173.53 3imd s ILE 146 N 2.90 2.15 -0.15 1.08 1.01 -1.26 -5.05 121.20 121.88 3imd s ILE 146 Ca 0.24 -1.40 -0.04 0.00 0.00 0.00 0.00 60.65 59.44 3imd s ILE 146 Cb -0.13 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 3imd s ILE 146 CO -0.00 0.16 0.01 -0.36 0.00 0.00 0.00 174.94 174.74 3imd s PHE 147 N 1.17 3.14 0.16 3.97 0.40 -1.26 -1.87 117.98 123.68 3imd s PHE 147 Ca -0.04 -0.05 -0.31 0.00 -0.60 0.00 0.00 56.93 55.93 3imd s PHE 147 Cb -0.18 -1.95 -0.10 0.00 0.51 0.00 0.00 43.02 41.30 3imd s PHE 147 CO -0.08 0.16 1.52 -0.51 0.70 0.00 0.00 175.22 177.01 3imd s LEU 148 N 0.04 4.37 0.01 -0.37 1.43 -0.61 -4.29 118.68 119.27 3imd s LEU 148 Ca 0.03 2.55 0.00 0.00 -1.03 0.00 0.00 54.13 55.68 3imd s LEU 148 Cb -0.13 -3.59 -0.01 0.00 0.03 0.00 0.00 46.19 42.49 3imd s LEU 148 CO 0.02 -0.77 -0.03 0.00 0.23 0.00 0.00 176.35 175.80 3imd s ARG 149 N 1.00 0.23 0.45 1.70 1.70 -0.51 -4.43 118.95 119.09 3imd s ARG 149 Ca 0.68 -0.36 -0.25 0.00 -0.47 0.00 0.00 55.73 55.33 3imd s ARG 149 Cb -0.42 -0.03 -0.09 0.00 -0.57 0.00 0.00 34.95 33.84 3imd s ARG 149 CO 0.32 -0.00 1.39 -0.25 -1.08 0.00 0.00 175.30 175.68 3imd n ASP 150 N 2.28 3.09 -4.78 -2.89 10.43 -1.26 -3.28 116.55 120.14 3imd n ASP 150 Ca -0.18 1.11 -0.34 0.00 2.57 0.00 0.00 54.79 57.95 3imd n ASP 150 Cb 0.57 -1.58 0.01 0.00 1.84 0.00 0.00 41.12 41.97 3imd n ASP 150 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 3imd s ILE 151 N -1.20 3.31 -0.57 0.53 -4.36 -1.26 -4.84 121.20 112.81 3imd s ILE 151 Ca 0.62 0.73 -0.23 0.00 -0.26 0.00 0.00 60.65 61.50 3imd s ILE 151 Cb -0.46 -3.26 0.05 0.00 1.25 0.00 0.00 42.46 40.04 3imd s ILE 151 CO 0.57 -0.26 0.90 -1.61 0.24 0.00 0.00 174.94 174.79 3imd s GLU 152 N -3.61 3.24 0.65 0.37 2.02 -1.26 -5.02 118.70 115.09 3imd s GLU 152 Ca 0.70 -0.51 -0.15 0.00 0.02 0.00 0.00 54.97 55.03 3imd s GLU 152 Cb -0.21 -4.11 -0.01 0.00 0.10 0.00 0.00 34.13 29.90 3imd s GLU 152 CO 0.32 -1.54 1.10 -0.65 0.02 0.00 0.00 175.26 174.51 3imd s GLN 153 N 3.80 2.89 -0.30 1.61 -1.52 -1.26 -5.01 119.66 119.87 3imd s GLN 153 Ca 0.26 1.36 -0.29 0.00 -1.95 0.00 0.00 55.36 54.74 3imd s GLN 153 Cb -0.15 -1.96 0.01 0.00 -0.22 0.00 0.00 33.01 30.69 3imd s GLN 153 CO 0.16 -1.18 1.05 0.08 -0.25 0.00 0.00 175.29 175.15 3imd s VAL 154 N -2.36 4.56 -2.00 1.09 1.01 -1.26 -5.28 120.40 116.16 3imd s VAL 154 Ca 0.66 1.77 0.02 0.00 0.00 0.00 0.00 61.98 64.44 3imd s VAL 154 Cb -0.20 -4.38 0.06 0.00 0.00 0.00 0.00 36.38 31.87 3imd s VAL 154 CO 0.41 -0.40 0.62 -0.81 0.00 0.00 0.00 175.10 174.92