#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4t s SER 2 N 0.00 6.64 0.39 1.61 1.04 -1.26 -5.03 113.70 117.08 1x4t s SER 2 Ca 0.00 0.62 -0.27 0.00 0.48 0.00 0.00 55.95 56.78 1x4t s SER 2 Cb 0.00 -2.40 -0.09 0.00 0.10 0.00 0.00 66.02 63.63 1x4t s SER 2 CO 0.00 -0.61 1.27 -0.55 0.98 0.00 0.00 173.24 174.34 1x4t s SER 3 N 1.63 6.47 0.00 7.02 0.15 -1.26 -4.97 113.70 122.75 1x4t s SER 3 Ca 0.31 2.60 0.00 0.00 0.70 0.00 0.00 55.95 59.56 1x4t s SER 3 Cb -0.14 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 1x4t s SER 3 CO 0.13 -0.73 0.00 0.61 1.20 0.00 0.00 173.24 174.44 1x4t n GLY 4 N 0.71 -2.10 0.89 9.45 0.00 -1.26 -5.07 105.19 107.81 1x4t n GLY 4 Ca 0.03 1.02 -0.03 0.00 0.00 0.00 0.00 46.02 47.04 1x4t n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x4t n SER 5 N 0.00 0.74 -0.34 1.61 3.41 -1.26 -4.74 113.62 113.04 1x4t n SER 5 Ca 0.00 0.11 0.16 0.00 -0.26 0.00 0.00 58.87 58.87 1x4t n SER 5 Cb 0.00 -0.25 0.31 0.00 -0.26 0.00 0.00 64.21 64.01 1x4t n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x4t n SER 6 N -3.40 -0.09 -4.11 4.04 7.64 -1.26 -4.52 113.62 111.92 1x4t n SER 6 Ca -0.05 1.69 -0.59 0.00 1.01 0.00 0.00 58.87 60.93 1x4t n SER 6 Cb 0.33 -0.63 -0.09 0.00 -1.01 0.00 0.00 64.21 62.81 1x4t n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4t n GLY 7 N -1.49 0.16 3.78 0.23 0.00 -1.26 -4.86 105.19 101.74 1x4t n GLY 7 Ca 0.24 0.88 -0.34 0.00 0.00 0.00 0.00 46.02 46.80 1x4t n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x4t s LYS 8 N 2.69 3.27 -0.06 1.61 -2.85 -1.26 -5.00 119.74 118.13 1x4t s LYS 8 Ca 0.92 1.44 -0.05 0.00 -1.00 0.00 0.00 55.97 57.27 1x4t s LYS 8 Cb -1.30 -2.01 -0.03 0.00 -2.06 0.00 0.00 37.83 32.43 1x4t s LYS 8 CO 0.71 -0.88 0.26 0.28 0.10 0.00 0.00 175.35 175.81 1x4t h VAL 9 N 0.80 0.00 -0.14 1.79 2.07 -1.94 -3.39 116.25 115.46 1x4t h VAL 9 Ca -0.48 -0.65 -0.36 0.00 0.82 0.00 0.00 66.70 66.02 1x4t h VAL 9 Cb 1.24 0.00 0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1x4t h VAL 9 CO 0.57 0.00 1.06 0.29 0.02 0.00 0.00 177.57 179.50 1x4t n LYS 10 N -4.34 0.70 -2.34 1.57 5.02 -1.26 -4.90 118.16 112.60 1x4t n LYS 10 Ca -0.02 -1.73 -0.33 0.00 -2.02 0.00 0.00 58.31 54.20 1x4t n LYS 10 Cb 0.08 -3.32 -0.02 0.00 -0.02 0.00 0.00 35.03 31.75 1x4t n LYS 10 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1x4t s GLU 11 N 6.98 3.66 -0.01 1.97 2.56 -1.26 -5.03 118.70 127.57 1x4t s GLU 11 Ca 0.71 1.23 -0.23 0.00 0.00 0.00 0.00 54.97 56.68 1x4t s GLU 11 Cb 0.05 -2.08 -0.05 0.00 2.00 0.00 0.00 34.13 34.05 1x4t s GLU 11 CO 0.21 -0.53 0.68 0.50 -0.56 0.00 0.00 175.26 175.56 1x4t s ARG 12 N -3.68 4.41 0.33 4.30 3.00 -1.26 -5.02 118.95 121.03 1x4t s ARG 12 Ca 0.64 0.89 -0.29 0.00 -1.00 0.00 0.00 55.73 55.97 1x4t s ARG 12 Cb -0.15 -3.38 -0.11 0.00 0.00 0.00 0.00 34.95 31.31 1x4t s ARG 12 CO 0.28 0.25 1.57 0.50 0.00 0.00 0.00 175.30 177.89 1x4t s ARG 13 N 0.15 4.10 0.00 5.12 3.52 -1.26 -5.01 118.95 125.57 1x4t s ARG 13 Ca 0.35 2.61 0.00 0.00 -0.13 0.00 0.00 55.73 58.56 1x4t s ARG 13 Cb -0.19 -2.99 0.00 0.00 -1.56 0.00 0.00 34.95 30.21 1x4t s ARG 13 CO 0.19 -0.62 0.00 -0.35 -0.81 0.00 0.00 175.30 173.72 1x4t n PRO 14 N 1.46 0.24 0.00 5.12 -0.04 -1.26 -5.05 135.00 135.48 1x4t n PRO 14 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1x4t n PRO 14 Cb 0.38 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.84 1x4t n PRO 14 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1x4t n PHE 15 N -1.26 0.00 -3.17 0.54 7.35 -1.26 -4.95 117.46 114.71 1x4t n PHE 15 Ca 0.00 0.00 -0.45 0.00 -0.76 0.00 0.00 57.45 56.24 1x4t n PHE 15 Cb 0.00 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 39.79 1x4t n PHE 15 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1x4t s LEU 16 N -3.96 5.82 0.42 -2.13 1.43 -1.26 -4.90 118.68 114.10 1x4t s LEU 16 Ca 0.00 -1.92 0.24 0.00 -1.03 0.00 0.00 54.13 51.42 1x4t s LEU 16 Cb 0.00 -2.28 1.25 0.00 0.03 0.00 0.00 46.19 45.18 1x4t s LEU 16 CO 0.00 -0.93 1.73 0.00 0.23 0.00 0.00 176.35 177.38 1x4t h ALA 17 N 8.71 2.47 -0.15 4.21 0.00 -1.92 0.80 119.26 133.39 1x4t h ALA 17 Ca -0.11 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1x4t h ALA 17 Cb 1.07 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1x4t h ALA 17 CO 1.00 -0.94 -0.41 0.66 0.00 0.00 0.00 179.25 179.56 1x4t h SER 18 N 0.26 0.36 -0.63 0.00 4.64 -1.91 -3.04 113.55 113.23 1x4t h SER 18 Ca 0.66 -0.15 -0.08 0.00 -0.47 0.00 0.00 61.79 61.75 1x4t h SER 18 Cb 1.91 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.87 1x4t h SER 18 CO -0.30 0.73 0.09 -0.33 -0.87 0.00 0.00 176.83 176.15 1x4t h GLU 19 N 0.28 1.05 -0.80 4.77 4.39 0.21 -3.04 114.58 121.44 1x4t h GLU 19 Ca 0.03 -0.29 0.28 0.00 0.34 0.00 0.00 59.36 59.72 1x4t h GLU 19 Cb 0.85 -0.12 -0.15 0.00 -0.10 0.00 0.00 28.75 29.23 1x4t h GLU 19 CO 0.07 0.98 0.24 0.00 -1.16 0.00 0.00 179.01 179.15 1x4t n THR 21 N -4.96 -0.13 -3.77 0.00 -2.24 -1.15 -4.87 114.28 97.16 1x4t n THR 21 Ca 0.25 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.83 1x4t n THR 21 Cb 0.84 -0.57 -0.17 0.00 -2.10 0.00 0.00 70.33 68.34 1x4t n THR 21 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1x4t s GLU 22 N -3.91 0.31 0.01 -0.78 0.41 -1.26 -5.04 118.70 108.43 1x4t s GLU 22 Ca 0.00 0.20 -0.25 0.00 -0.41 0.00 0.00 54.97 54.50 1x4t s GLU 22 Cb 0.00 -0.71 -0.19 0.00 -1.78 0.00 0.00 34.13 31.45 1x4t s GLU 22 CO 0.00 -0.28 1.35 1.25 -0.49 0.00 0.00 175.26 177.09 1x4t h LEU 23 N 8.15 -0.06 0.00 1.80 5.85 -1.94 -2.34 115.31 126.77 1x4t h LEU 23 Ca -0.22 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.17 1x4t h LEU 23 Cb 1.12 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1x4t h LEU 23 CO 0.26 0.31 0.00 -0.81 -0.34 0.00 0.00 178.44 177.86 1x4t n PRO 24 N -4.95 0.13 -0.03 5.25 -0.04 -1.26 -2.65 135.00 131.44 1x4t n PRO 24 Ca -0.08 0.19 -0.18 0.00 -0.04 0.00 0.00 63.50 63.39 1x4t n PRO 24 Cb 0.21 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.03 1x4t n PRO 24 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1x4t n LYS 25 N -1.36 0.71 0.26 0.54 4.76 -1.10 -3.84 118.16 118.13 1x4t n LYS 25 Ca 0.06 0.23 0.16 0.00 -2.87 0.00 0.00 58.31 55.88 1x4t n LYS 25 Cb 0.14 -1.67 0.57 0.00 -1.84 0.00 0.00 35.03 32.23 1x4t n LYS 25 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1x4t h ALA 26 N 0.29 1.00 0.07 7.82 0.00 -1.19 -2.87 119.26 124.38 1x4t h ALA 26 Ca -0.44 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.22 1x4t h ALA 26 Cb 2.02 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 1x4t h ALA 26 CO 0.05 0.01 -1.12 0.93 0.00 0.00 0.00 179.25 179.12 1x4t h GLU 27 N 0.00 0.16 -0.00 0.00 5.08 -1.68 -2.55 114.58 115.59 1x4t h GLU 27 Ca -0.00 -0.27 -0.16 0.00 -1.00 0.00 0.00 59.36 57.93 1x4t h GLU 27 Cb 0.62 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1x4t h GLU 27 CO 0.00 1.11 -0.77 1.57 -1.00 0.00 0.00 179.01 179.93 1x4t h LYS 28 N 0.05 0.02 0.03 2.33 2.10 -1.62 -3.13 116.57 116.34 1x4t h LYS 28 Ca -0.08 -0.02 -0.22 0.00 -2.00 0.00 0.00 60.65 58.33 1x4t h LYS 28 Cb 1.85 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 33.16 1x4t h LYS 28 CO 0.17 0.78 -1.06 -1.49 -2.00 0.00 0.00 179.45 175.85 1x4t h TRP 29 N 0.01 0.11 -0.08 0.07 -0.00 -1.56 -3.12 115.95 111.37 1x4t h TRP 29 Ca -0.01 -0.08 -0.00 0.00 -0.00 0.00 0.00 58.89 58.80 1x4t h TRP 29 Cb 1.36 -0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 30.51 1x4t h TRP 29 CO 0.00 1.06 0.04 -0.09 -0.00 0.00 0.00 178.44 179.45 1x4t h ARG 30 N 0.02 0.12 -0.38 0.49 2.43 -1.44 -1.95 114.38 113.67 1x4t h ARG 30 Ca -0.04 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 1x4t h ARG 30 Cb 1.82 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 31.33 1x4t h ARG 30 CO 0.15 0.22 0.02 0.07 -1.51 0.00 0.00 179.97 178.92 1x4t h ARG 31 N -0.00 0.58 -0.64 0.20 0.11 -1.65 -2.25 114.38 110.73 1x4t h ARG 31 Ca 0.03 -0.12 -0.04 0.00 0.10 0.00 0.00 59.98 59.95 1x4t h ARG 31 Cb 0.14 -0.08 -0.03 0.00 1.11 0.00 0.00 29.97 31.11 1x4t h ARG 31 CO -0.00 0.59 0.24 0.37 0.10 0.00 0.00 179.97 181.26 1x4t h GLN 32 N 0.56 0.96 -0.31 0.08 -0.00 -1.43 -2.78 115.11 112.19 1x4t h GLN 32 Ca 0.12 -0.18 -0.05 0.00 -0.00 0.00 0.00 58.65 58.53 1x4t h GLN 32 Cb 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 27.48 27.64 1x4t h GLN 32 CO 0.01 0.82 -0.01 0.82 0.00 0.00 0.00 178.83 180.47 1x4t h ILE 33 N 0.90 1.26 -0.91 2.39 2.04 -1.03 -2.92 117.51 119.25 1x4t h ILE 33 Ca 0.21 -0.98 0.17 0.00 1.00 0.00 0.00 64.86 65.26 1x4t h ILE 33 Cb 0.23 1.29 -0.07 0.00 -0.74 0.00 0.00 36.82 37.53 1x4t h ILE 33 CO -0.01 0.32 0.59 0.40 0.00 0.00 0.00 178.15 179.44 1x4t h ILE 34 N 0.34 0.76 -0.03 -0.67 2.04 -1.27 0.13 117.51 118.81 1x4t h ILE 34 Ca 0.09 -0.21 -0.08 0.00 1.00 0.00 0.00 64.86 65.65 1x4t h ILE 34 Cb 0.46 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1x4t h ILE 34 CO 0.02 0.11 -0.38 1.23 0.00 0.00 0.00 178.15 179.13 1x4t h GLY 35 N 0.60 0.07 0.34 5.37 0.00 -1.30 -2.81 103.07 105.33 1x4t h GLY 35 Ca 0.47 -0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.71 1x4t h GLY 35 CO -0.22 0.05 -0.13 0.83 0.00 0.00 0.00 176.54 177.07 1x4t h GLU 36 N 0.06 0.09 -0.15 4.80 5.08 -0.72 -2.66 114.58 121.07 1x4t h GLU 36 Ca 0.00 -0.09 0.05 0.00 -1.00 0.00 0.00 59.36 58.32 1x4t h GLU 36 Cb 0.70 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 1x4t h GLU 36 CO 0.05 0.85 -0.29 0.82 -1.00 0.00 0.00 179.01 179.45 1x4t h ILE 37 N -0.64 0.33 0.70 3.13 2.04 -1.27 -2.32 117.51 119.49 1x4t h ILE 37 Ca -0.02 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 1x4t h ILE 37 Cb 0.90 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1x4t h ILE 37 CO 0.03 0.00 -0.37 -1.28 0.00 0.00 0.00 178.15 176.53 1x4t h SER 38 N -0.35 -0.89 -1.33 1.72 0.87 -1.62 0.37 113.55 112.32 1x4t h SER 38 Ca 0.11 0.04 0.43 0.00 -1.23 0.00 0.00 61.79 61.13 1x4t h SER 38 Cb 0.51 0.24 -0.10 0.00 -0.44 0.00 0.00 62.40 62.62 1x4t h SER 38 CO -0.35 -0.60 0.90 0.29 -0.53 0.00 0.00 176.83 176.54 1x4t n LYS 39 N -4.74 -0.02 0.01 2.24 4.76 -1.00 0.17 118.16 119.58 1x4t n LYS 39 Ca -0.12 0.98 -0.21 0.00 -2.87 0.00 0.00 58.31 56.09 1x4t n LYS 39 Cb 0.39 -2.05 -0.14 0.00 -1.84 0.00 0.00 35.03 31.39 1x4t n LYS 39 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1x4t h LYS 40 N 0.00 0.23 -1.01 1.97 1.57 -0.93 -3.35 116.57 115.06 1x4t h LYS 40 Ca 0.75 -0.40 0.24 0.00 -1.87 0.00 0.00 60.65 59.37 1x4t h LYS 40 Cb 2.64 0.15 -0.12 0.00 0.08 0.00 0.00 32.23 34.98 1x4t h LYS 40 CO -0.25 1.19 0.60 0.28 -0.57 0.00 0.00 179.45 180.71 1x4t h VAL 41 N -0.38 0.56 0.00 0.50 2.07 0.39 -0.31 116.25 119.07 1x4t h VAL 41 Ca -0.26 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.07 1x4t h VAL 41 Cb 1.68 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1x4t h VAL 41 CO 0.06 0.11 -0.03 0.00 0.02 0.00 0.00 177.57 177.73 1x4t h ALA 42 N 1.71 -0.03 -0.52 1.67 0.00 -1.41 -1.40 119.26 119.27 1x4t h ALA 42 Ca 0.63 0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.66 1x4t h ALA 42 Cb 1.21 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1x4t h ALA 42 CO -0.45 -0.53 0.36 1.96 0.00 0.00 0.00 179.25 180.60 1x4t h GLN 43 N -0.05 0.19 -0.10 0.00 4.20 -1.19 -0.53 115.11 117.63 1x4t h GLN 43 Ca 0.01 -0.01 -0.21 0.00 0.06 0.00 0.00 58.65 58.50 1x4t h GLN 43 Cb 0.07 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 27.81 1x4t h GLN 43 CO -0.03 0.13 -0.80 0.82 -0.67 0.00 0.00 178.83 178.28 1x4t h ILE 44 N 0.20 1.32 0.00 2.54 1.08 -0.90 -3.11 117.51 118.63 1x4t h ILE 44 Ca 0.25 -2.10 -0.05 0.00 -0.39 0.00 0.00 64.86 62.56 1x4t h ILE 44 Cb 0.71 2.10 -0.01 0.00 -3.07 0.00 0.00 36.82 36.56 1x4t h ILE 44 CO -0.04 0.65 -0.26 1.56 -0.69 0.00 0.00 178.15 179.37 1x4t h GLN 45 N 0.41 0.00 -0.36 2.37 1.08 -0.08 -2.85 115.11 115.67 1x4t h GLN 45 Ca -0.05 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.05 1x4t h GLN 45 Cb 1.41 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.83 1x4t h GLN 45 CO 0.15 0.26 -0.17 -0.91 -0.95 0.00 0.00 178.83 177.21 1x4t h ASN 46 N 0.00 0.67 -6.80 1.46 2.35 -1.23 -3.47 115.58 108.56 1x4t h ASN 46 Ca -0.00 -0.21 -0.56 0.00 -0.55 0.00 0.00 56.30 54.98 1x4t h ASN 46 Cb 0.67 -0.18 -0.18 0.00 0.05 0.00 0.00 38.32 38.68 1x4t h ASN 46 CO 0.03 0.85 -0.90 0.00 -1.65 0.00 0.00 177.43 175.76 1x4t n ALA 47 N -2.49 -1.72 -2.41 -0.83 0.00 -1.08 -4.82 120.51 107.16 1x4t n ALA 47 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1x4t n ALA 47 Cb 0.39 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.88 1x4t n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x4t n GLY 48 N -1.88 1.01 0.00 0.00 0.00 -1.26 -4.85 105.19 98.20 1x4t n GLY 48 Ca -0.16 -0.60 0.01 0.00 0.00 0.00 0.00 46.02 45.26 1x4t n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x4t n LEU 49 N 0.12 0.02 0.00 0.99 4.77 -1.26 -5.12 117.00 116.52 1x4t n LEU 49 Ca -0.05 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 1x4t n LEU 49 Cb 0.97 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.06 1x4t n LEU 49 CO -0.06 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.61 1x4t n GLY 50 N 1.87 2.90 0.13 -0.72 0.00 -1.26 -4.60 105.19 103.50 1x4t n GLY 50 Ca -0.00 -1.47 -0.03 0.00 0.00 0.00 0.00 46.02 44.52 1x4t n GLY 50 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x4t n GLU 51 N 1.12 -0.13 -0.28 1.61 1.02 -1.26 0.58 120.64 123.29 1x4t n GLU 51 Ca 0.00 0.87 0.03 0.00 -0.02 0.00 0.00 57.16 58.04 1x4t n GLU 51 Cb 0.00 -1.30 0.08 0.00 -0.02 0.00 0.00 31.44 30.21 1x4t n GLU 51 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 1x4t n PHE 52 N -3.64 0.19 0.35 -0.32 -1.74 -1.26 0.04 117.46 111.09 1x4t n PHE 52 Ca 0.01 0.94 -0.17 0.00 -0.56 0.00 0.00 57.45 57.66 1x4t n PHE 52 Cb 0.08 -0.89 -0.09 0.00 1.52 0.00 0.00 39.48 40.10 1x4t n PHE 52 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1x4t h ARG 53 N 0.00 -0.85 -0.95 3.97 2.47 -0.12 -0.00 114.38 118.90 1x4t h ARG 53 Ca 0.34 0.06 0.23 0.00 -1.26 0.00 0.00 59.98 59.34 1x4t h ARG 53 Cb 0.53 0.19 -0.12 0.00 -1.65 0.00 0.00 29.97 28.92 1x4t h ARG 53 CO -0.78 -0.54 0.50 0.82 0.56 0.00 0.00 179.97 180.53 1x4t h ILE 54 N -0.96 0.52 0.25 2.04 5.03 0.76 0.12 117.51 125.27 1x4t h ILE 54 Ca -0.09 -0.17 -0.01 0.00 -0.12 0.00 0.00 64.86 64.46 1x4t h ILE 54 Cb 0.70 -0.03 0.00 0.00 -3.03 0.00 0.00 36.82 34.46 1x4t h ILE 54 CO 0.15 0.09 -0.12 0.03 -0.68 0.00 0.00 178.15 177.62 1x4t h ARG 55 N 0.50 -0.33 -0.71 2.37 2.47 -0.45 -0.90 114.38 117.34 1x4t h ARG 55 Ca 0.60 0.02 0.17 0.00 -1.26 0.00 0.00 59.98 59.51 1x4t h ARG 55 Cb 1.12 0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 29.48 1x4t h ARG 55 CO -0.49 0.02 0.49 0.22 0.56 0.00 0.00 179.97 180.77 1x4t h ASP 56 N -0.76 0.19 0.12 7.04 1.82 0.01 0.14 116.42 124.99 1x4t h ASP 56 Ca -0.03 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.61 1x4t h ASP 56 Cb 0.50 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.49 1x4t h ASP 56 CO 0.06 0.09 -0.06 -0.07 -1.61 0.00 0.00 179.24 177.65 1x4t h LEU 57 N 0.20 -0.14 -1.97 2.28 3.38 -0.71 -3.18 115.31 115.17 1x4t h LEU 57 Ca 0.34 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.34 1x4t h LEU 57 Cb 1.07 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 1x4t h LEU 57 CO -0.07 0.12 0.37 -0.55 0.09 0.00 0.00 178.44 178.40 1x4t h ASN 58 N -0.59 0.00 -0.07 -0.43 7.08 -0.95 0.25 115.58 120.88 1x4t h ASN 58 Ca -0.02 0.00 -0.16 0.00 -3.08 0.00 0.00 56.30 53.04 1x4t h ASN 58 Cb 0.12 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.36 1x4t h ASN 58 CO 0.03 0.00 -0.53 -0.78 -2.08 0.00 0.00 177.43 174.07 1x4t h ASP 59 N 0.00 0.71 0.72 6.14 3.58 -0.77 -3.19 116.42 123.60 1x4t h ASP 59 Ca 0.04 -0.37 -0.26 0.00 0.42 0.00 0.00 57.03 56.86 1x4t h ASP 59 Cb 0.77 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.61 1x4t h ASP 59 CO -0.00 1.10 -1.19 -0.33 -2.88 0.00 0.00 179.24 175.95 1x4t h GLU 60 N 0.50 0.21 -0.28 0.28 4.39 -0.52 -3.33 114.58 115.83 1x4t h GLU 60 Ca 0.01 -0.35 0.03 0.00 0.34 0.00 0.00 59.36 59.39 1x4t h GLU 60 Cb 1.09 0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 29.82 1x4t h GLU 60 CO 0.11 1.17 -0.31 0.82 -1.16 0.00 0.00 179.01 179.64 1x4t h ILE 61 N 0.06 0.00 -0.71 3.13 1.08 -1.37 0.17 117.51 119.87 1x4t h ILE 61 Ca -0.10 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.51 1x4t h ILE 61 Cb 1.92 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 35.58 1x4t h ILE 61 CO 0.19 0.00 0.22 0.78 -0.69 0.00 0.00 178.15 178.64 1x4t h ASN 62 N -0.18 0.12 -0.92 1.72 2.35 -1.72 0.13 115.58 117.08 1x4t h ASN 62 Ca 0.05 0.12 0.09 0.00 -0.55 0.00 0.00 56.30 56.01 1x4t h ASN 62 Cb 0.30 0.14 -0.07 0.00 0.05 0.00 0.00 38.32 38.75 1x4t h ASN 62 CO -0.36 0.03 0.60 0.11 -1.65 0.00 0.00 177.43 176.16 1x4t h LYS 63 N 0.34 0.93 -0.13 0.81 1.79 -1.24 -0.57 116.57 118.49 1x4t h LYS 63 Ca 0.39 -0.06 -0.19 0.00 -2.18 0.00 0.00 60.65 58.62 1x4t h LYS 63 Cb 0.62 -0.21 -0.00 0.00 -1.58 0.00 0.00 32.23 31.06 1x4t h LYS 63 CO -0.44 0.61 -0.68 -0.07 -1.08 0.00 0.00 179.45 177.79 1x4t h LEU 64 N 0.96 0.65 0.06 2.94 3.38 0.18 -3.21 115.31 120.27 1x4t h LEU 64 Ca 0.42 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1x4t h LEU 64 Cb 0.36 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1x4t h LEU 64 CO -0.18 1.15 -0.03 0.25 0.09 0.00 0.00 178.44 179.71 1x4t h LEU 65 N 0.40 -0.07 -0.63 1.67 5.85 0.05 -2.91 115.31 119.66 1x4t h LEU 65 Ca -0.02 -0.16 0.12 0.00 0.84 0.00 0.00 57.88 58.66 1x4t h LEU 65 Cb 1.26 0.02 -0.12 0.00 0.37 0.00 0.00 40.66 42.19 1x4t h LEU 65 CO 0.13 0.12 -0.19 0.03 -0.34 0.00 0.00 178.44 178.18 1x4t h ARG 66 N -0.26 -0.03 -0.21 1.25 3.08 -1.20 0.62 114.38 117.63 1x4t h ARG 66 Ca -0.01 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.10 1x4t h ARG 66 Cb 0.23 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1x4t h ARG 66 CO 0.01 -0.02 0.16 1.49 -1.07 0.00 0.00 179.97 180.54 1x4t h GLU 67 N -0.03 0.00 -0.29 0.04 4.57 -1.54 -1.49 114.58 115.83 1x4t h GLU 67 Ca 0.30 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.36 1x4t h GLU 67 Cb 0.49 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1x4t h GLU 67 CO -0.66 0.00 -0.26 -0.22 -1.18 0.00 0.00 179.01 176.68 1x4t h LYS 68 N 0.00 0.69 -0.09 1.92 3.64 0.42 -1.97 116.57 121.19 1x4t h LYS 68 Ca 0.10 -0.36 0.02 0.00 -1.27 0.00 0.00 60.65 59.15 1x4t h LYS 68 Cb 0.42 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1x4t h LYS 68 CO -0.00 0.97 0.13 0.78 -2.27 0.00 0.00 179.45 179.06 1x4t h GLY 69 N 0.43 0.00 0.72 5.01 0.00 -0.51 0.33 103.07 109.06 1x4t h GLY 69 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.07 1x4t h GLY 69 CO 0.07 0.00 -1.89 1.42 0.00 0.00 0.00 176.54 176.14 1x4t n HIS 70 N -3.56 0.75 -0.04 5.60 8.25 -1.11 -3.83 115.22 121.28 1x4t n HIS 70 Ca -0.01 0.27 -0.01 0.00 -0.26 0.00 0.00 57.72 57.72 1x4t n HIS 70 Cb 0.23 -1.14 -0.00 0.00 1.12 0.00 0.00 29.99 30.20 1x4t n HIS 70 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1x4t h TRP 71 N 0.00 0.00 -0.31 4.41 4.06 -0.42 -1.08 115.95 122.60 1x4t h TRP 71 Ca -0.36 0.00 0.09 0.00 2.06 0.00 0.00 58.89 60.69 1x4t h TRP 71 Cb 2.07 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 30.22 1x4t h TRP 71 CO 0.00 0.00 0.57 0.93 -3.56 0.00 0.00 178.44 176.38 1x4t h GLU 72 N -0.68 0.00 0.05 0.49 5.08 -0.65 0.30 114.58 119.17 1x4t h GLU 72 Ca 0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 1x4t h GLU 72 Cb 0.07 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1x4t h GLU 72 CO 0.00 0.00 -2.05 1.55 -1.00 0.00 0.00 179.01 177.51 1x4t n VAL 73 N -3.23 1.62 -0.09 3.13 3.14 -1.25 -2.06 118.33 119.59 1x4t n VAL 73 Ca 0.06 -0.71 0.02 0.00 -2.96 0.00 0.00 64.34 60.74 1x4t n VAL 73 Cb 0.70 -1.28 0.32 0.00 -1.06 0.00 0.00 33.84 32.53 1x4t n VAL 73 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1x4t h ARG 74 N 0.03 0.73 -0.77 1.45 9.65 0.92 -1.88 114.38 124.50 1x4t h ARG 74 Ca -0.43 -0.06 0.07 0.00 -1.10 0.00 0.00 59.98 58.46 1x4t h ARG 74 Cb 2.04 -0.16 -0.05 0.00 -1.39 0.00 0.00 29.97 30.41 1x4t h ARG 74 CO 0.05 0.53 0.51 0.82 2.80 0.00 0.00 179.97 184.67 1x4t h ILE 75 N 0.75 1.01 0.05 1.20 2.04 -1.49 -1.73 117.51 119.34 1x4t h ILE 75 Ca 0.19 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 1x4t h ILE 75 Cb -0.01 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 1x4t h ILE 75 CO -0.04 0.15 -0.02 0.50 0.00 0.00 0.00 178.15 178.74 1x4t h LYS 76 N 0.80 -0.06 -1.15 2.37 3.64 -1.46 0.82 116.57 121.52 1x4t h LYS 76 Ca 0.34 0.00 0.33 0.00 -1.27 0.00 0.00 60.65 60.05 1x4t h LYS 76 Cb 0.29 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.06 1x4t h LYS 76 CO -0.12 0.54 0.80 0.93 -2.27 0.00 0.00 179.45 179.33 1x4t h GLU 77 N -0.92 0.12 0.00 1.90 5.08 -1.19 1.06 114.58 120.63 1x4t h GLU 77 Ca -0.01 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 1x4t h GLU 77 Cb 0.63 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1x4t h GLU 77 CO 0.01 0.08 -0.62 -0.07 -1.00 0.00 0.00 179.01 177.41 1x4t h LEU 78 N 0.12 0.00 0.00 1.33 3.38 -1.37 -3.47 115.31 115.30 1x4t h LEU 78 Ca 0.59 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.56 1x4t h LEU 78 Cb 2.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.81 1x4t h LEU 78 CO -0.11 0.62 0.00 0.61 0.09 0.00 0.00 178.44 179.65 1x4t n GLY 79 N 1.01 1.28 0.00 0.83 0.00 0.36 -4.99 105.19 103.68 1x4t n GLY 79 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1x4t n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4t n GLY 80 N 0.00 2.45 3.76 -0.02 0.00 0.28 -4.96 105.19 106.70 1x4t n GLY 80 Ca 0.00 -2.05 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 1x4t n GLY 80 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4t s PRO 81 N 2.08 4.45 -1.01 1.61 0.04 -1.26 -4.34 135.00 136.55 1x4t s PRO 81 Ca 0.00 2.06 -0.23 0.00 0.04 0.00 0.00 61.00 62.86 1x4t s PRO 81 Cb 0.00 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.38 1x4t s PRO 81 CO 0.00 -0.09 1.80 0.34 0.04 0.00 0.00 177.00 179.09 1x4t s ASP 82 N -0.37 5.62 0.09 6.66 -1.08 -1.26 -3.81 116.67 122.52 1x4t s ASP 82 Ca 0.50 -1.19 0.10 0.00 -0.52 0.00 0.00 52.55 51.43 1x4t s ASP 82 Cb -0.37 -2.57 -0.18 0.00 -1.46 0.00 0.00 42.92 38.34 1x4t s ASP 82 CO 0.46 -2.35 1.11 1.88 0.52 0.00 0.00 175.17 176.79 1x4t h TYR 83 N 10.32 0.00 -0.72 -5.34 0.05 -1.90 -3.32 116.97 116.06 1x4t h TYR 83 Ca 0.17 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.98 1x4t h TYR 83 Cb 0.98 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.69 1x4t h TYR 83 CO 1.25 0.92 0.48 0.78 -1.05 0.00 0.00 178.16 180.54 1x4t h GLY 84 N 3.23 1.00 0.15 3.88 0.00 -1.70 -2.88 103.07 106.75 1x4t h GLY 84 Ca -0.09 -0.36 0.04 0.00 0.00 0.00 0.00 47.33 46.92 1x4t h GLY 84 CO 0.10 0.33 -0.36 1.70 0.00 0.00 0.00 176.54 178.31 1x4t h LYS 85 N 0.91 -0.45 -0.22 4.80 3.64 -1.90 -2.74 116.57 120.61 1x4t h LYS 85 Ca 0.28 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.73 1x4t h LYS 85 Cb -0.01 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 31.84 1x4t h LYS 85 CO -0.07 -0.30 -0.54 0.28 -2.27 0.00 0.00 179.45 176.55 1x4t h VAL 86 N -0.46 0.02 -3.49 2.00 2.07 -1.70 -3.41 116.25 111.27 1x4t h VAL 86 Ca 0.08 0.00 -0.55 0.00 0.82 0.00 0.00 66.70 67.05 1x4t h VAL 86 Cb 0.59 0.02 0.10 0.00 -1.52 0.00 0.00 31.29 30.47 1x4t h VAL 86 CO -0.34 0.00 0.73 -1.54 0.02 0.00 0.00 177.57 176.44 1x4t n SER 87 N -5.42 3.50 -4.96 0.57 3.41 -1.04 -5.00 113.62 104.69 1x4t n SER 87 Ca -0.05 1.19 -0.22 0.00 -0.26 0.00 0.00 58.87 59.53 1x4t n SER 87 Cb 0.37 -1.57 -0.01 0.00 -0.26 0.00 0.00 64.21 62.75 1x4t n SER 87 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x4t s GLY 88 N 0.05 1.42 1.08 5.00 0.00 -1.26 -4.93 107.32 108.68 1x4t s GLY 88 Ca 0.58 -1.08 -0.15 0.00 0.00 0.00 0.00 44.72 44.08 1x4t s GLY 88 CO 0.58 -0.99 1.10 2.56 0.00 0.00 0.00 173.10 176.35 1x4t s PRO 89 N -4.32 -0.23 -0.02 2.90 0.04 -1.26 -4.90 135.00 127.21 1x4t s PRO 89 Ca 0.42 0.29 -0.33 0.00 0.04 0.00 0.00 61.00 61.42 1x4t s PRO 89 Cb -0.10 -1.68 -0.11 0.00 0.04 0.00 0.00 34.50 32.65 1x4t s PRO 89 CO 0.35 -3.12 1.89 0.43 0.04 0.00 0.00 177.00 176.58 1x4t n SER 90 N -4.41 3.69 -3.66 6.66 7.64 -1.26 -4.96 113.62 117.32 1x4t n SER 90 Ca 0.08 0.96 -0.24 0.00 1.01 0.00 0.00 58.87 60.68 1x4t n SER 90 Cb 0.58 -1.43 -0.17 0.00 -1.01 0.00 0.00 64.21 62.17 1x4t n SER 90 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x4t s SER 91 N 3.87 1.99 0.00 6.43 1.04 -1.26 -5.35 113.70 120.42 1x4t s SER 91 Ca 0.90 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.94 1x4t s SER 91 Cb -0.60 -0.28 0.00 0.00 0.10 0.00 0.00 66.02 65.24 1x4t s SER 91 CO 0.47 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 175.00