#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 4.96 0.03 1.61 0.15 -1.26 -5.06 113.70 114.14 1x4t s SER 2 Ca 0.00 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.48 1x4t s SER 2 Cb 0.00 -0.53 0.00 0.00 -1.71 0.00 0.00 66.02 63.78 1x4t s SER 2 CO 0.00 -1.39 0.00 -0.24 1.20 0.00 0.00 173.24 172.81 1x4t n SER 3 N -2.50 0.18 0.00 5.45 2.88 -1.26 -5.16 113.62 113.21 1x4t n SER 3 Ca 0.11 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1x4t n SER 3 Cb 0.60 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1x4t n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4t n GLY 4 N 2.76 4.34 3.51 0.46 0.00 -1.26 -5.17 105.19 109.83 1x4t n GLY 4 Ca 0.00 -1.25 -0.25 0.00 0.00 0.00 0.00 46.02 44.52 1x4t n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4t s SER 5 N 0.00 2.79 0.34 1.61 0.01 -1.26 -5.15 113.70 112.04 1x4t s SER 5 Ca 0.00 -1.66 -0.15 0.00 1.31 0.00 0.00 55.95 55.45 1x4t s SER 5 Cb 0.00 0.47 -0.09 0.00 0.21 0.00 0.00 66.02 66.61 1x4t s SER 5 CO 0.00 -0.91 0.76 -0.55 0.41 0.00 0.00 173.24 172.95 1x4t s SER 6 N -3.60 6.78 0.12 2.44 0.15 -1.26 -4.90 113.70 113.42 1x4t s SER 6 Ca 0.24 1.32 0.00 0.00 0.70 0.00 0.00 55.95 58.21 1x4t s SER 6 Cb 0.03 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.95 1x4t s SER 6 CO 0.14 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1x4t n GLY 7 N -0.45 -3.30 2.76 9.45 0.00 -1.26 -5.05 105.19 107.35 1x4t n GLY 7 Ca 0.04 -1.09 -0.16 0.00 0.00 0.00 0.00 46.02 44.81 1x4t n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4t s LYS 8 N -5.26 -0.04 0.65 1.61 -0.14 -1.26 -5.15 119.74 110.14 1x4t s LYS 8 Ca 0.00 0.22 -0.11 0.00 -1.36 0.00 0.00 55.97 54.72 1x4t s LYS 8 Cb 0.00 -0.28 -0.01 0.00 -1.68 0.00 0.00 37.83 35.85 1x4t s LYS 8 CO 0.00 -0.19 1.05 0.14 -0.76 0.00 0.00 175.35 175.59 1x4t s VAL 9 N 1.23 4.14 1.15 3.17 -7.23 -1.26 -5.04 120.40 116.56 1x4t s VAL 9 Ca -0.07 0.66 -0.18 0.00 -1.81 0.00 0.00 61.98 60.58 1x4t s VAL 9 Cb -0.13 -3.68 0.17 0.00 0.56 0.00 0.00 36.38 33.30 1x4t s VAL 9 CO -0.03 -0.89 0.27 0.29 -0.31 0.00 0.00 175.10 174.43 1x4t n LYS 10 N -2.85 -2.23 -4.24 4.82 4.76 -1.26 -5.05 118.16 112.12 1x4t n LYS 10 Ca 0.06 -0.64 -0.14 0.00 -2.87 0.00 0.00 58.31 54.72 1x4t n LYS 10 Cb 0.56 -1.73 -0.10 0.00 -1.84 0.00 0.00 35.03 31.91 1x4t n LYS 10 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1x4t s GLU 11 N -3.72 1.09 -0.21 1.97 2.56 -1.26 -5.14 118.70 113.99 1x4t s GLU 11 Ca 0.55 -1.51 -0.06 0.00 0.00 0.00 0.00 54.97 53.95 1x4t s GLU 11 Cb -0.12 -0.35 -0.03 0.00 2.00 0.00 0.00 34.13 35.63 1x4t s GLU 11 CO 0.59 -0.08 0.02 0.50 -0.56 0.00 0.00 175.26 175.72 1x4t s ARG 12 N -3.87 3.66 0.41 4.30 3.00 -1.26 -5.08 118.95 120.10 1x4t s ARG 12 Ca 0.22 -0.50 -0.27 0.00 -1.00 0.00 0.00 55.73 54.18 1x4t s ARG 12 Cb 0.05 -3.13 -0.10 0.00 0.00 0.00 0.00 34.95 31.78 1x4t s ARG 12 CO 0.03 0.01 1.48 0.50 0.00 0.00 0.00 175.30 177.31 1x4t s ARG 13 N 1.03 3.92 0.00 5.12 3.52 -1.26 -5.01 118.95 126.27 1x4t s ARG 13 Ca 0.02 2.54 0.00 0.00 -0.13 0.00 0.00 55.73 58.16 1x4t s ARG 13 Cb -0.14 -2.83 0.00 0.00 -1.56 0.00 0.00 34.95 30.41 1x4t s ARG 13 CO 0.02 -0.68 0.00 -0.35 -0.81 0.00 0.00 175.30 173.48 1x4t n PRO 14 N 0.17 0.26 -0.01 5.12 -0.04 -1.26 -5.04 135.00 134.19 1x4t n PRO 14 Ca 0.03 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.47 1x4t n PRO 14 Cb 0.40 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.85 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 -1.24 0.00 -3.87 0.54 7.35 -1.26 -4.96 117.46 114.02 1x4t n PHE 15 Ca 0.00 0.00 -0.36 0.00 -0.76 0.00 0.00 57.45 56.33 1x4t n PHE 15 Cb 0.00 -0.10 -0.13 0.00 0.35 0.00 0.00 39.48 39.59 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 -4.55 4.15 0.58 -2.13 1.43 -1.26 -4.96 118.68 111.94 1x4t s LEU 16 Ca -0.02 -1.35 0.33 0.00 -1.03 0.00 0.00 54.13 52.06 1x4t s LEU 16 Cb 0.01 -1.75 1.36 0.00 0.03 0.00 0.00 46.19 45.83 1x4t s LEU 16 CO 0.08 -0.31 1.63 0.00 0.23 0.00 0.00 176.35 177.98 1x4t h ALA 17 N 8.04 2.93 -0.07 4.21 0.00 -1.94 0.57 119.26 133.00 1x4t h ALA 17 Ca -0.20 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 1x4t h ALA 17 Cb 1.06 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.94 1x4t h ALA 17 CO 0.56 -1.50 -0.53 0.66 0.00 0.00 0.00 179.25 178.44 1x4t h SER 18 N 0.00 0.59 -1.03 0.00 4.64 -1.97 -3.22 113.55 112.56 1x4t h SER 18 Ca 0.50 -0.68 0.26 0.00 -0.47 0.00 0.00 61.79 61.41 1x4t h SER 18 Cb 2.42 -0.18 -0.10 0.00 -0.31 0.00 0.00 62.40 64.23 1x4t h SER 18 CO -0.01 1.17 0.65 -0.33 -0.87 0.00 0.00 176.83 177.45 1x4t h GLU 19 N 0.05 0.43 -0.23 4.77 4.39 -0.26 0.43 114.58 124.15 1x4t h GLU 19 Ca -0.05 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.65 1x4t h GLU 19 Cb 1.19 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.72 1x4t h GLU 19 CO 0.11 0.29 0.08 0.00 -1.16 0.00 0.00 179.01 178.32 1x4t n THR 21 N -5.04 -0.65 -4.01 0.00 -2.24 0.14 -4.93 114.28 97.55 1x4t n THR 21 Ca -0.02 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.52 1x4t n THR 21 Cb 0.08 -1.55 -0.17 0.00 -2.10 0.00 0.00 70.33 66.60 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 -5.38 1.22 0.01 -0.78 0.41 -1.26 -5.04 118.70 107.89 1x4t s GLU 22 Ca 0.14 -0.17 -0.25 0.00 -0.41 0.00 0.00 54.97 54.29 1x4t s GLU 22 Cb -0.08 -1.30 -0.18 0.00 -1.78 0.00 0.00 34.13 30.79 1x4t s GLU 22 CO 0.18 -0.21 1.35 1.25 -0.49 0.00 0.00 175.26 177.34 1x4t h LEU 23 N 7.89 -0.11 0.00 1.80 5.85 -1.91 -2.38 115.31 126.45 1x4t h LEU 23 Ca -0.29 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.14 1x4t h LEU 23 Cb 1.14 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1x4t h LEU 23 CO 0.39 0.24 0.00 -0.81 -0.34 0.00 0.00 178.44 177.92 1x4t n PRO 24 N -4.99 0.14 -0.01 5.25 -0.04 -1.26 -2.75 135.00 131.34 1x4t n PRO 24 Ca -0.08 0.18 -0.21 0.00 -0.04 0.00 0.00 63.50 63.35 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 0.74 0.28 0.54 4.76 -1.10 -4.08 118.16 117.94 1x4t n LYS 25 Ca 0.06 0.26 0.17 0.00 -2.87 0.00 0.00 58.31 55.93 1x4t n LYS 25 Cb 0.13 -1.69 0.67 0.00 -1.84 0.00 0.00 35.03 32.31 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 0.04 1.00 0.00 7.82 0.00 -1.24 -2.38 119.26 124.51 1x4t h ALA 26 Ca -0.44 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 1x4t h ALA 26 Cb 2.00 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.77 1x4t h ALA 26 CO 0.06 0.00 -0.55 0.93 0.00 0.00 0.00 179.25 179.69 1x4t h GLU 27 N 0.00 0.00 0.00 0.00 5.08 -1.68 -2.27 114.58 115.71 1x4t h GLU 27 Ca -0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 1x4t h GLU 27 Cb 0.53 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 1x4t h GLU 27 CO 0.00 0.55 -1.59 0.36 -1.00 0.00 0.00 179.01 177.32 1x4t n LYS 28 N -3.78 0.63 0.17 2.33 2.85 -1.04 -3.75 118.16 115.58 1x4t n LYS 28 Ca -0.01 0.20 0.04 0.00 -1.05 0.00 0.00 58.31 57.50 1x4t n LYS 28 Cb 0.57 -1.77 0.22 0.00 -0.65 0.00 0.00 35.03 33.40 1x4t n LYS 28 CO 0.00 0.00 0.00 -1.49 -0.05 0.00 0.00 177.40 175.86 1x4t h TRP 29 N 0.00 0.00 0.06 5.58 -0.00 -1.38 -2.79 115.95 117.42 1x4t h TRP 29 Ca -0.22 0.00 -0.25 0.00 -0.00 0.00 0.00 58.89 58.42 1x4t h TRP 29 Cb 1.72 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 30.89 1x4t h TRP 29 CO 0.00 0.43 -1.07 0.07 -0.00 0.00 0.00 178.44 177.87 1x4t h ARG 30 N 0.00 0.38 0.00 0.49 0.11 -1.54 -3.15 114.38 110.67 1x4t h ARG 30 Ca -0.00 -0.48 -0.12 0.00 0.10 0.00 0.00 59.98 59.47 1x4t h ARG 30 Cb 1.09 0.16 -0.02 0.00 1.11 0.00 0.00 29.97 32.31 1x4t h ARG 30 CO 0.06 1.17 -0.57 0.07 0.10 0.00 0.00 179.97 180.79 1x4t h ARG 31 N 0.18 0.00 0.00 0.08 0.11 -1.64 -2.62 114.38 110.49 1x4t h ARG 31 Ca -0.11 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.90 1x4t h ARG 31 Cb 1.74 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.81 1x4t h ARG 31 CO 0.18 0.57 -0.32 0.37 0.10 0.00 0.00 179.97 180.87 1x4t h GLN 32 N 0.00 0.00 0.17 0.08 4.15 -1.52 -2.88 115.11 115.11 1x4t h GLN 32 Ca -0.01 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.08 1x4t h GLN 32 Cb 1.11 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.80 1x4t h GLN 32 CO 0.07 0.32 -1.61 0.82 -1.93 0.00 0.00 178.83 176.50 1x4t h ILE 33 N 0.00 1.09 -0.56 2.39 2.04 -1.48 -3.32 117.51 117.66 1x4t h ILE 33 Ca -0.00 -2.67 -0.01 0.00 1.00 0.00 0.00 64.86 63.18 1x4t h ILE 33 Cb 0.85 2.81 -0.03 0.00 -0.74 0.00 0.00 36.82 39.71 1x4t h ILE 33 CO 0.04 0.84 0.33 0.40 0.00 0.00 0.00 178.15 179.75 1x4t h ILE 34 N 0.10 1.18 -0.86 -0.67 2.04 -1.43 -2.03 117.51 115.84 1x4t h ILE 34 Ca -0.29 -0.42 0.08 0.00 1.00 0.00 0.00 64.86 65.23 1x4t h ILE 34 Cb 2.08 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 38.53 1x4t h ILE 34 CO 0.19 0.19 0.56 1.23 0.00 0.00 0.00 178.15 180.31 1x4t h GLY 35 N 0.76 1.22 0.99 5.37 0.00 -1.65 -2.12 103.07 107.64 1x4t h GLY 35 Ca 0.20 -0.37 -0.14 0.00 0.00 0.00 0.00 47.33 47.02 1x4t h GLY 35 CO -0.04 0.25 -0.40 0.83 0.00 0.00 0.00 176.54 177.18 1x4t h GLU 36 N 0.91 0.69 -0.08 4.80 5.08 -1.56 -2.45 114.58 121.97 1x4t h GLU 36 Ca 0.38 -0.43 0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1x4t h GLU 36 Cb 0.30 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 1x4t h GLU 36 CO -0.15 1.05 -0.19 0.82 -1.00 0.00 0.00 179.01 179.54 1x4t h ILE 37 N 0.41 0.53 0.88 3.13 2.04 -0.74 -2.35 117.51 121.40 1x4t h ILE 37 Ca 0.02 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.83 1x4t h ILE 37 Cb 1.00 0.53 0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1x4t h ILE 37 CO 0.09 0.00 -0.42 -1.28 0.00 0.00 0.00 178.15 176.54 1x4t h SER 38 N -0.26 -1.00 -1.69 1.72 0.87 -1.48 -0.54 113.55 111.17 1x4t h SER 38 Ca 0.08 0.03 0.51 0.00 -1.23 0.00 0.00 61.79 61.19 1x4t h SER 38 Cb 0.38 0.26 -0.09 0.00 -0.44 0.00 0.00 62.40 62.51 1x4t h SER 38 CO -0.24 -0.68 1.19 0.29 -0.53 0.00 0.00 176.83 176.86 1x4t n LYS 39 N -5.35 -0.01 0.03 2.24 4.76 -0.92 0.16 118.16 119.07 1x4t n LYS 39 Ca -0.15 1.07 -0.22 0.00 -2.87 0.00 0.00 58.31 56.14 1x4t n LYS 39 Cb 0.46 -2.34 -0.14 0.00 -1.84 0.00 0.00 35.03 31.17 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 0.29 -0.93 1.97 1.57 -1.03 -3.33 116.57 115.11 1x4t h LYS 40 Ca 0.87 -0.50 0.18 0.00 -1.87 0.00 0.00 60.65 59.32 1x4t h LYS 40 Cb 3.29 0.19 -0.10 0.00 0.08 0.00 0.00 32.23 35.68 1x4t h LYS 40 CO -0.14 1.24 0.52 0.28 -0.57 0.00 0.00 179.45 180.78 1x4t h VAL 41 N -0.23 0.69 0.37 0.50 2.07 0.31 -1.80 116.25 118.17 1x4t h VAL 41 Ca -0.28 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 1x4t h VAL 41 Cb 1.82 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1x4t h VAL 41 CO 0.10 0.12 -0.25 0.00 0.02 0.00 0.00 177.57 177.57 1x4t h ALA 42 N 1.62 -0.60 -0.87 1.67 0.00 -1.44 0.35 119.26 120.00 1x4t h ALA 42 Ca 0.53 -0.11 0.23 0.00 0.00 0.00 0.00 54.91 55.56 1x4t h ALA 42 Cb 0.82 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1x4t h ALA 42 CO -0.39 -0.85 0.61 1.96 0.00 0.00 0.00 179.25 180.57 1x4t h GLN 43 N -0.61 0.13 0.01 0.00 4.20 -1.45 -0.83 115.11 116.55 1x4t h GLN 43 Ca -0.04 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 1x4t h GLN 43 Cb 0.51 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1x4t h GLN 43 CO 0.02 0.08 -0.12 0.82 -0.67 0.00 0.00 178.83 178.96 1x4t h ILE 44 N 0.13 1.63 -0.34 2.54 1.08 -0.90 -3.26 117.51 118.39 1x4t h ILE 44 Ca 0.43 -2.03 0.10 0.00 -0.39 0.00 0.00 64.86 62.97 1x4t h ILE 44 Cb 1.48 2.98 -0.01 0.00 -3.07 0.00 0.00 36.82 38.20 1x4t h ILE 44 CO -0.06 0.54 0.26 1.56 -0.69 0.00 0.00 178.15 179.75 1x4t h GLN 45 N -0.72 0.00 0.00 2.37 1.08 0.29 0.18 115.11 118.32 1x4t h GLN 45 Ca -0.02 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.13 1x4t h GLN 45 Cb 0.95 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.37 1x4t h GLN 45 CO 0.02 0.00 -0.24 -0.91 -0.95 0.00 0.00 178.83 176.76 1x4t h ASN 46 N 0.00 0.00 -6.74 1.46 2.35 -1.25 -3.47 115.58 107.93 1x4t h ASN 46 Ca 0.16 0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 55.43 1x4t h ASN 46 Cb 0.67 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.92 1x4t h ASN 46 CO -0.00 0.24 -0.76 0.00 -1.65 0.00 0.00 177.43 175.26 1x4t n ALA 47 N -2.26 -1.91 -2.52 -0.83 0.00 0.64 -4.79 120.51 108.84 1x4t n ALA 47 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1x4t n ALA 47 Cb 0.40 -0.98 0.02 0.00 0.00 0.00 0.00 19.45 18.89 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 -2.13 1.24 0.00 0.00 0.00 -1.26 -4.85 105.19 98.19 1x4t n GLY 48 Ca -0.21 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.13 0.00 0.00 0.99 4.77 -1.26 -5.12 117.00 116.25 1x4t n LEU 49 Ca -0.03 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1x4t n LEU 49 Cb 0.94 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.03 1x4t n LEU 49 CO -0.04 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.63 1x4t n GLY 50 N 2.15 2.97 0.30 -0.72 0.00 -1.26 -4.60 105.19 104.05 1x4t n GLY 50 Ca 0.00 -1.42 -0.08 0.00 0.00 0.00 0.00 46.02 44.53 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 1.15 -0.32 -0.34 1.61 1.02 -1.26 0.13 120.64 122.64 1x4t n GLU 51 Ca 0.00 1.12 0.18 0.00 -0.02 0.00 0.00 57.16 58.44 1x4t n GLU 51 Cb 0.00 -1.65 0.34 0.00 -0.02 0.00 0.00 31.44 30.11 1x4t n GLU 51 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1x4t n PHE 52 N -4.86 0.72 0.19 -0.32 3.01 -1.26 -0.90 117.46 114.03 1x4t n PHE 52 Ca 0.01 1.19 -0.10 0.00 1.01 0.00 0.00 57.45 59.56 1x4t n PHE 52 Cb 0.19 -1.30 -0.06 0.00 -0.01 0.00 0.00 39.48 38.31 1x4t n PHE 52 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1x4t h ARG 53 N 0.00 -0.52 -1.10 -1.08 2.47 0.87 -2.47 114.38 112.54 1x4t h ARG 53 Ca 0.64 0.04 0.41 0.00 -1.26 0.00 0.00 59.98 59.81 1x4t h ARG 53 Cb 1.40 0.12 -0.16 0.00 -1.65 0.00 0.00 29.97 29.68 1x4t h ARG 53 CO -0.90 -0.27 0.64 0.82 0.56 0.00 0.00 179.97 180.82 1x4t h ILE 54 N -1.08 0.08 0.06 2.04 5.03 0.43 0.36 117.51 124.43 1x4t h ILE 54 Ca -0.06 -0.03 -0.00 0.00 -0.12 0.00 0.00 64.86 64.65 1x4t h ILE 54 Cb 0.50 -0.01 0.00 0.00 -3.03 0.00 0.00 36.82 34.28 1x4t h ILE 54 CO 0.09 0.01 -0.03 0.03 -0.68 0.00 0.00 178.15 177.58 1x4t h ARG 55 N 0.08 -0.07 -0.21 2.37 2.47 -1.03 -1.45 114.38 116.54 1x4t h ARG 55 Ca 0.83 0.00 0.06 0.00 -1.26 0.00 0.00 59.98 59.61 1x4t h ARG 55 Cb 2.26 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 30.59 1x4t h ARG 55 CO -0.64 0.46 0.21 -0.44 0.56 0.00 0.00 179.97 180.11 1x4t h ASP 56 N -0.65 0.00 0.00 7.04 3.32 0.08 0.27 116.42 126.47 1x4t h ASP 56 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1x4t h ASP 56 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1x4t h ASP 56 CO 0.01 0.00 -0.05 -0.07 -1.72 0.00 0.00 179.24 177.41 1x4t h LEU 57 N 0.00 0.00 -2.26 1.55 3.38 -0.77 -3.28 115.31 113.93 1x4t h LEU 57 Ca 0.10 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1x4t h LEU 57 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1x4t h LEU 57 CO -0.00 0.40 0.18 -0.55 0.09 0.00 0.00 178.44 178.56 1x4t h ASN 58 N -0.75 0.00 -0.61 -0.43 7.08 -1.09 -0.88 115.58 118.90 1x4t h ASN 58 Ca 0.00 0.00 -0.05 0.00 -3.08 0.00 0.00 56.30 53.17 1x4t h ASN 58 Cb 0.05 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.27 1x4t h ASN 58 CO 0.00 0.00 0.19 -0.78 -2.08 0.00 0.00 177.43 174.76 1x4t h ASP 59 N 0.00 0.89 0.74 6.14 1.82 -0.58 -2.91 116.42 122.51 1x4t h ASP 59 Ca 0.07 -0.21 -0.20 0.00 -0.39 0.00 0.00 57.03 56.30 1x4t h ASP 59 Cb 0.43 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 40.19 1x4t h ASP 59 CO -0.00 0.86 -0.94 -0.33 -1.61 0.00 0.00 179.24 177.22 1x4t h GLU 60 N 0.87 0.12 -0.13 0.28 4.39 -1.24 -3.34 114.58 115.53 1x4t h GLU 60 Ca 0.20 -0.15 0.01 0.00 0.34 0.00 0.00 59.36 59.76 1x4t h GLU 60 Cb 0.28 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 1x4t h GLU 60 CO -0.01 0.97 -0.13 0.82 -1.16 0.00 0.00 179.01 179.51 1x4t h ILE 61 N 0.05 0.00 -0.63 3.13 1.08 -1.18 0.22 117.51 120.19 1x4t h ILE 61 Ca -0.04 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.56 1x4t h ILE 61 Cb 1.61 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 35.25 1x4t h ILE 61 CO 0.14 0.00 -0.14 0.78 -0.69 0.00 0.00 178.15 178.23 1x4t h ASN 62 N -0.06 -0.56 -0.96 1.72 2.35 -1.70 0.32 115.58 116.69 1x4t h ASN 62 Ca 0.02 0.19 0.15 0.00 -0.55 0.00 0.00 56.30 56.11 1x4t h ASN 62 Cb 0.12 0.38 -0.08 0.00 0.05 0.00 0.00 38.32 38.79 1x4t h ASN 62 CO -0.15 -0.20 0.61 0.11 -1.65 0.00 0.00 177.43 176.14 1x4t h LYS 63 N 0.01 0.76 -0.10 0.81 1.79 -1.37 0.18 116.57 118.66 1x4t h LYS 63 Ca 0.30 -0.05 -0.24 0.00 -2.18 0.00 0.00 60.65 58.49 1x4t h LYS 63 Cb 0.47 -0.17 0.01 0.00 -1.58 0.00 0.00 32.23 30.96 1x4t h LYS 63 CO -0.64 0.51 -0.87 -0.07 -1.08 0.00 0.00 179.45 177.30 1x4t h LEU 64 N 0.79 0.92 -0.37 2.94 3.38 0.27 -3.21 115.31 120.02 1x4t h LEU 64 Ca 0.50 -0.65 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1x4t h LEU 64 Cb 0.73 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1x4t h LEU 64 CO -0.27 1.45 0.12 0.25 0.09 0.00 0.00 178.44 180.08 1x4t h LEU 65 N 0.49 0.54 -0.51 1.67 5.85 0.64 -3.01 115.31 120.97 1x4t h LEU 65 Ca -0.08 -0.20 0.10 0.00 0.84 0.00 0.00 57.88 58.55 1x4t h LEU 65 Cb 1.50 -0.14 -0.09 0.00 0.37 0.00 0.00 40.66 42.30 1x4t h LEU 65 CO 0.17 0.59 -0.06 0.03 -0.34 0.00 0.00 178.44 178.84 1x4t h ARG 66 N 0.45 0.06 -0.78 1.25 3.08 -0.76 0.13 114.38 117.81 1x4t h ARG 66 Ca 0.12 -0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.32 1x4t h ARG 66 Cb 0.24 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.23 1x4t h ARG 66 CO -0.00 0.04 0.52 1.49 -1.07 0.00 0.00 179.97 180.94 1x4t h GLU 67 N 0.06 0.45 -0.10 0.04 4.57 -1.53 -1.56 114.58 116.52 1x4t h GLU 67 Ca 0.25 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.39 1x4t h GLU 67 Cb 0.39 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1x4t h GLU 67 CO -0.47 0.30 0.01 -0.22 -1.18 0.00 0.00 179.01 177.45 1x4t h LYS 68 N 0.47 0.17 -0.38 1.92 3.64 -0.69 -1.56 116.57 120.14 1x4t h LYS 68 Ca 0.39 -0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.83 1x4t h LYS 68 Cb 0.83 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 1x4t h LYS 68 CO -0.14 0.38 0.60 0.78 -2.27 0.00 0.00 179.45 178.81 1x4t h GLY 69 N -0.08 0.00 0.22 5.01 0.00 -0.75 -0.03 103.07 107.44 1x4t h GLY 69 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.02 1x4t h GLY 69 CO 0.00 0.00 -1.92 1.42 0.00 0.00 0.00 176.54 176.04 1x4t n HIS 70 N -3.30 0.79 0.00 5.60 8.25 -1.02 -4.09 115.22 121.45 1x4t n HIS 70 Ca 0.07 0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.77 1x4t n HIS 70 Cb 0.75 -1.09 0.00 0.00 1.12 0.00 0.00 29.99 30.77 1x4t n HIS 70 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 1x4t n TRP 71 N -3.88 0.00 -0.41 4.41 7.02 -0.26 0.35 117.44 124.68 1x4t n TRP 71 Ca -0.38 0.00 0.34 0.00 -1.02 0.00 0.00 57.50 56.45 1x4t n TRP 71 Cb 0.90 -0.41 0.57 0.00 -2.42 0.00 0.00 31.31 29.95 1x4t n TRP 71 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1x4t n GLU 72 N -1.72 -0.03 0.12 -0.99 1.02 -0.19 0.23 120.64 119.09 1x4t n GLU 72 Ca 0.00 1.03 -0.24 0.00 -0.02 0.00 0.00 57.16 57.93 1x4t n GLU 72 Cb 0.00 -2.06 -0.16 0.00 -0.02 0.00 0.00 31.44 29.21 1x4t n GLU 72 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1x4t h VAL 73 N 0.00 1.18 -0.21 2.62 2.07 -1.69 -3.28 116.25 116.94 1x4t h VAL 73 Ca 0.74 -2.63 0.06 0.00 0.82 0.00 0.00 66.70 65.68 1x4t h VAL 73 Cb 2.42 2.96 -0.01 0.00 -1.52 0.00 0.00 31.29 35.14 1x4t h VAL 73 CO -0.36 0.82 0.24 -0.09 0.02 0.00 0.00 177.57 178.20 1x4t h ARG 74 N 0.11 0.00 -0.23 1.57 9.65 0.77 0.58 114.38 126.84 1x4t h ARG 74 Ca -0.28 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 58.48 1x4t h ARG 74 Cb 2.13 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.70 1x4t h ARG 74 CO 0.24 0.00 -0.35 0.82 2.80 0.00 0.00 179.97 183.48 1x4t h ILE 75 N 0.00 1.29 0.16 1.20 2.04 -1.35 -3.06 117.51 117.79 1x4t h ILE 75 Ca 0.10 -1.46 -0.31 0.00 1.00 0.00 0.00 64.86 64.18 1x4t h ILE 75 Cb 0.57 1.50 0.01 0.00 -0.74 0.00 0.00 36.82 38.16 1x4t h ILE 75 CO -0.00 0.46 -1.48 0.50 0.00 0.00 0.00 178.15 177.63 1x4t h LYS 76 N 0.42 0.33 -0.09 2.37 3.64 -1.01 0.19 116.57 122.42 1x4t h LYS 76 Ca 0.05 -0.57 0.03 0.00 -1.27 0.00 0.00 60.65 58.88 1x4t h LYS 76 Cb 0.81 0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1x4t h LYS 76 CO 0.07 1.23 0.17 0.93 -2.27 0.00 0.00 179.45 179.58 1x4t h GLU 77 N 0.09 0.00 0.00 1.90 5.08 -1.23 0.90 114.58 121.32 1x4t h GLU 77 Ca -0.23 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.98 1x4t h GLU 77 Cb 2.05 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.27 1x4t h GLU 77 CO 0.20 0.00 -1.50 1.28 -1.00 0.00 0.00 179.01 177.99 1x4t n LEU 78 N -3.42 0.72 0.00 1.33 4.32 -1.16 -4.95 117.00 113.83 1x4t n LEU 78 Ca -0.01 0.31 0.00 0.00 -0.02 0.00 0.00 56.01 56.29 1x4t n LEU 78 Cb 0.26 0.09 0.00 0.00 -1.62 0.00 0.00 43.42 42.15 1x4t n LEU 78 CO 0.22 0.12 0.00 0.61 -1.22 0.00 0.00 177.39 177.13 1x4t n GLY 79 N 1.39 1.29 0.00 -0.72 0.00 0.31 -5.01 105.19 102.45 1x4t n GLY 79 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 3.51 3.77 -0.02 0.00 0.67 -4.97 105.19 108.14 1x4t n GLY 80 Ca 0.00 -2.04 -0.40 0.00 0.00 0.00 0.00 46.02 43.58 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 2.34 4.44 -0.85 1.61 0.04 -1.26 -4.39 135.00 136.93 1x4t s PRO 81 Ca 0.00 2.05 -0.23 0.00 0.04 0.00 0.00 61.00 62.86 1x4t s PRO 81 Cb 0.00 -3.09 0.06 0.00 0.04 0.00 0.00 34.50 31.51 1x4t s PRO 81 CO 0.00 -0.05 1.24 0.34 0.04 0.00 0.00 177.00 178.57 1x4t s ASP 82 N -0.66 6.36 -0.02 6.66 -1.08 -1.26 -3.74 116.67 122.92 1x4t s ASP 82 Ca 0.48 -1.18 0.04 0.00 -0.52 0.00 0.00 52.55 51.37 1x4t s ASP 82 Cb -0.37 -2.50 -0.25 0.00 -1.46 0.00 0.00 42.92 38.34 1x4t s ASP 82 CO 0.48 -1.51 0.74 1.88 0.52 0.00 0.00 175.17 177.28 1x4t h TYR 83 N 9.64 0.21 -0.57 -5.34 0.05 -1.89 -3.37 116.97 115.70 1x4t h TYR 83 Ca -0.05 -0.15 0.10 0.00 0.05 0.00 0.00 58.73 58.68 1x4t h TYR 83 Cb 1.04 -0.01 -0.08 0.00 1.01 0.00 0.00 36.73 38.69 1x4t h TYR 83 CO 1.15 1.24 0.14 0.78 -1.05 0.00 0.00 178.16 180.42 1x4t h GLY 84 N 2.54 0.74 0.00 3.88 0.00 -1.87 -3.06 103.07 105.29 1x4t h GLY 84 Ca -0.26 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1x4t h GLY 84 CO 0.11 -0.08 0.00 1.17 0.00 0.00 0.00 176.54 177.74 1x4t n LYS 85 N -5.09 0.00 -3.55 4.80 0.00 -1.26 -4.40 118.16 108.66 1x4t n LYS 85 Ca 0.08 0.90 -0.37 0.00 0.00 0.00 0.00 58.31 58.92 1x4t n LYS 85 Cb 0.29 -1.38 -0.06 0.00 0.00 0.00 0.00 35.03 33.88 1x4t n LYS 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1x4t s VAL 86 N -2.78 5.09 0.19 3.15 -7.23 -1.16 -5.09 120.40 112.56 1x4t s VAL 86 Ca 0.00 0.67 0.05 0.00 -1.81 0.00 0.00 61.98 60.89 1x4t s VAL 86 Cb 0.00 -3.67 -0.04 0.00 0.56 0.00 0.00 36.38 33.24 1x4t s VAL 86 CO 0.00 0.49 0.22 -0.94 -0.31 0.00 0.00 175.10 174.57 1x4t s SER 87 N -1.28 5.87 0.45 4.85 1.04 -1.26 -4.85 113.70 118.52 1x4t s SER 87 Ca 0.26 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.65 1x4t s SER 87 Cb -0.15 -1.62 0.00 0.00 0.10 0.00 0.00 66.02 64.34 1x4t s SER 87 CO 0.14 0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.99 1x4t n GLY 88 N -0.74 -1.81 3.58 7.32 0.00 -1.26 -4.90 105.19 107.38 1x4t n GLY 88 Ca -0.08 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 1x4t n GLY 88 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4t s PRO 89 N -1.36 3.04 0.07 1.61 0.04 -1.26 -4.98 135.00 132.16 1x4t s PRO 89 Ca 0.00 0.98 0.08 0.00 0.04 0.00 0.00 61.00 62.10 1x4t s PRO 89 Cb 0.00 -4.26 -0.03 0.00 0.04 0.00 0.00 34.50 30.25 1x4t s PRO 89 CO 0.00 -2.22 -0.21 -1.54 0.04 0.00 0.00 177.00 173.07 1x4t s SER 90 N 6.73 2.53 0.13 6.66 1.04 -1.26 -5.12 113.70 124.41 1x4t s SER 90 Ca 0.71 -0.59 -0.13 0.00 0.48 0.00 0.00 55.95 56.43 1x4t s SER 90 Cb -0.17 -0.18 0.02 0.00 0.10 0.00 0.00 66.02 65.79 1x4t s SER 90 CO 0.27 0.13 0.34 -0.94 0.98 0.00 0.00 173.24 174.02 1x4t s SER 91 N -1.45 -0.09 0.00 7.02 1.04 -1.26 -5.25 113.70 113.71 1x4t s SER 91 Ca 0.07 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.98 1x4t s SER 91 Cb -0.09 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1x4t s SER 91 CO 0.03 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.01