#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4b n SER 2 N 0.00 -8.92 -3.55 1.61 3.41 -1.26 -5.08 113.62 99.83 1x4b n SER 2 Ca 0.00 1.73 -0.12 0.00 -0.26 0.00 0.00 58.87 60.22 1x4b n SER 2 Cb 0.00 -5.01 -0.04 0.00 -0.26 0.00 0.00 64.21 58.90 1x4b n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x4b s SER 3 N -0.55 -0.41 0.22 4.04 0.01 -1.26 -5.18 113.70 110.58 1x4b s SER 3 Ca 0.00 -0.05 0.10 0.00 1.31 0.00 0.00 55.95 57.31 1x4b s SER 3 Cb 0.00 0.52 -0.04 0.00 0.21 0.00 0.00 66.02 66.70 1x4b s SER 3 CO 0.00 -0.84 -0.09 -0.83 0.41 0.00 0.00 173.24 171.89 1x4b s GLY 4 N -2.49 1.72 -0.14 3.44 0.00 -1.26 -5.14 107.32 103.46 1x4b s GLY 4 Ca -0.01 -1.59 -0.29 0.00 0.00 0.00 0.00 44.72 42.83 1x4b s GLY 4 CO -0.09 -1.64 0.82 -0.56 0.00 0.00 0.00 173.10 171.63 1x4b s SER 5 N -3.18 -0.56 -0.05 1.64 0.01 -1.26 -5.16 113.70 105.13 1x4b s SER 5 Ca 0.27 0.74 0.06 0.00 1.31 0.00 0.00 55.95 58.33 1x4b s SER 5 Cb -0.07 0.63 -0.01 0.00 0.21 0.00 0.00 66.02 66.77 1x4b s SER 5 CO 0.16 -0.43 -0.24 -0.55 0.41 0.00 0.00 173.24 172.59 1x4b s SER 6 N -0.81 2.93 -0.29 2.44 0.15 -1.26 -5.10 113.70 111.76 1x4b s SER 6 Ca -0.05 -0.49 -0.04 0.00 0.70 0.00 0.00 55.95 56.07 1x4b s SER 6 Cb -0.01 -0.77 0.10 0.00 -1.71 0.00 0.00 66.02 63.63 1x4b s SER 6 CO 0.05 0.24 0.13 -0.83 1.20 0.00 0.00 173.24 174.02 1x4b s GLY 7 N -0.17 0.51 -0.41 9.45 0.00 -1.26 -5.10 107.32 110.34 1x4b s GLY 7 Ca -0.03 -1.12 -0.08 0.00 0.00 0.00 0.00 44.72 43.49 1x4b s GLY 7 CO 0.03 2.07 0.24 1.06 0.00 0.00 0.00 173.10 176.50 1x4b s MET 8 N 2.07 2.56 -0.30 2.90 1.00 -1.26 -5.01 119.30 121.26 1x4b s MET 8 Ca 0.09 -1.46 -0.16 0.00 0.00 0.00 0.00 55.69 54.16 1x4b s MET 8 Cb -0.16 -3.74 0.19 0.00 0.00 0.00 0.00 34.83 31.12 1x4b s MET 8 CO -0.36 -0.93 1.18 -1.83 0.00 0.00 0.00 175.02 173.07 1x4b s GLU 9 N 1.40 0.14 0.00 2.03 -1.05 -1.26 -5.05 118.70 114.92 1x4b s GLU 9 Ca 0.03 0.27 0.00 0.00 -0.15 0.00 0.00 54.97 55.12 1x4b s GLU 9 Cb -0.23 0.06 0.00 0.00 -0.44 0.00 0.00 34.13 33.52 1x4b s GLU 9 CO 0.02 -0.03 0.00 0.36 0.95 0.00 0.00 175.26 176.55 1x4b n LYS 10 N 3.56 0.00 -3.75 -4.83 2.85 -1.26 -5.14 118.16 109.59 1x4b n LYS 10 Ca -0.16 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.82 1x4b n LYS 10 Cb 0.56 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.91 1x4b n LYS 10 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1x4b s THR 11 N -2.00 5.24 -0.39 0.58 2.01 -1.26 -5.05 115.64 114.77 1x4b s THR 11 Ca 0.00 -0.31 -0.03 0.00 0.31 0.00 0.00 61.69 61.65 1x4b s THR 11 Cb 0.00 -3.69 0.21 0.00 0.01 0.00 0.00 72.50 69.02 1x4b s THR 11 CO 0.00 -0.07 1.01 -0.11 -0.69 0.00 0.00 174.62 174.76 1x4b n LEU 12 N -0.34 -1.97 -3.66 4.42 -0.00 -1.26 -5.14 117.00 109.05 1x4b n LEU 12 Ca -0.04 -1.45 -0.14 0.00 -0.00 0.00 0.00 56.01 54.37 1x4b n LEU 12 Cb 0.53 0.60 -0.14 0.00 -0.00 0.00 0.00 43.42 44.41 1x4b n LEU 12 CO 0.49 1.37 -0.16 -0.70 -0.00 0.00 0.00 177.39 178.39 1x4b s GLU 13 N 0.95 0.12 0.03 1.96 -6.30 -1.26 -5.15 118.70 109.05 1x4b s GLU 13 Ca 0.25 0.69 0.05 0.00 -2.50 0.00 0.00 54.97 53.46 1x4b s GLU 13 Cb 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 34.13 34.08 1x4b s GLU 13 CO -0.09 -0.30 -0.14 -0.08 0.02 0.00 0.00 175.26 174.67 1x4b s THR 14 N 2.39 1.07 0.02 -1.70 -1.32 -1.26 -5.15 115.64 109.69 1x4b s THR 14 Ca 0.02 -0.95 -0.08 0.00 -1.21 0.00 0.00 61.69 59.47 1x4b s THR 14 Cb -0.12 -0.97 0.00 0.00 -1.51 0.00 0.00 72.50 69.90 1x4b s THR 14 CO -0.08 0.02 0.16 0.68 -2.21 0.00 0.00 174.62 173.19 1x4b s VAL 15 N -0.81 0.10 1.06 5.08 -7.23 -1.26 -5.17 120.40 112.18 1x4b s VAL 15 Ca 0.01 -0.85 -0.17 0.00 -1.81 0.00 0.00 61.98 59.17 1x4b s VAL 15 Cb -0.08 -0.74 0.23 0.00 0.56 0.00 0.00 36.38 36.36 1x4b s VAL 15 CO 0.01 -0.47 1.21 -2.16 -0.31 0.00 0.00 175.10 173.38 1x4b s PRO 16 N -2.13 -0.11 -0.09 4.82 0.04 -1.26 -5.05 135.00 131.23 1x4b s PRO 16 Ca -0.09 -0.19 -0.09 0.00 0.04 0.00 0.00 61.00 60.67 1x4b s PRO 16 Cb -0.03 -1.74 -0.03 0.00 0.04 0.00 0.00 34.50 32.74 1x4b s PRO 16 CO -0.02 -2.95 -0.18 1.28 0.04 0.00 0.00 177.00 175.18 1x4b n LEU 17 N -4.19 1.03 0.00 -3.56 4.32 -1.26 -5.09 117.00 108.25 1x4b n LEU 17 Ca 0.13 0.17 0.00 0.00 -0.02 0.00 0.00 56.01 56.30 1x4b n LEU 17 Cb 0.59 -0.59 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1x4b n LEU 17 CO 0.47 -0.40 0.00 1.21 -1.22 0.00 0.00 177.39 177.45 1x4b n GLU 18 N -3.54 0.00 -3.58 3.23 0.00 -1.26 -5.13 120.64 110.37 1x4b n GLU 18 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.08 1x4b n GLU 18 Cb 0.26 0.00 -0.05 0.00 0.00 0.00 0.00 31.44 31.65 1x4b n GLU 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1x4b s ARG 19 N -1.04 0.50 0.10 5.31 3.52 -1.26 -5.17 118.95 120.91 1x4b s ARG 19 Ca 0.00 1.13 0.06 0.00 -0.13 0.00 0.00 55.73 56.80 1x4b s ARG 19 Cb 0.00 0.56 -0.04 0.00 -1.56 0.00 0.00 34.95 33.91 1x4b s ARG 19 CO 0.00 -0.15 -0.07 0.15 -0.81 0.00 0.00 175.30 174.42 1x4b s LYS 20 N 2.42 2.25 0.34 5.12 1.02 -1.26 -5.08 119.74 124.55 1x4b s LYS 20 Ca -0.06 -0.98 -0.28 0.00 0.02 0.00 0.00 55.97 54.67 1x4b s LYS 20 Cb -0.08 -2.37 -0.12 0.00 -0.52 0.00 0.00 37.83 34.73 1x4b s LYS 20 CO -0.18 0.51 1.34 1.63 -0.92 0.00 0.00 175.35 177.73 1x4b n LYS 21 N 0.63 2.24 -3.50 1.68 4.01 -1.26 -3.21 118.16 118.75 1x4b n LYS 21 Ca -0.13 0.79 -0.22 0.00 -0.51 0.00 0.00 58.31 58.24 1x4b n LYS 21 Cb 0.52 -2.40 0.01 0.00 -0.51 0.00 0.00 35.03 32.65 1x4b n LYS 21 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1x4b n ARG 22 N 0.60 -1.67 0.08 1.97 1.74 -1.26 -4.89 116.66 113.22 1x4b n ARG 22 Ca 0.04 1.18 0.11 0.00 -0.77 0.00 0.00 57.85 58.42 1x4b n ARG 22 Cb 0.36 -3.21 -0.04 0.00 -1.02 0.00 0.00 32.46 28.55 1x4b n ARG 22 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1x4b n GLU 23 N -1.68 0.62 0.00 5.56 0.28 -1.20 -3.55 120.64 120.67 1x4b n GLU 23 Ca -0.17 0.05 0.14 0.00 -0.16 0.00 0.00 57.16 57.03 1x4b n GLU 23 Cb 0.63 -1.76 0.60 0.00 1.43 0.00 0.00 31.44 32.34 1x4b n GLU 23 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1x4b n LYS 24 N -2.59 0.73 -0.04 3.44 3.00 -1.26 -3.19 118.16 118.25 1x4b n LYS 24 Ca -0.01 -0.27 -0.03 0.00 -0.00 0.00 0.00 58.31 58.00 1x4b n LYS 24 Cb 0.56 -1.49 -0.01 0.00 0.00 0.00 0.00 35.03 34.08 1x4b n LYS 24 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1x4b n GLU 25 N -0.90 0.24 0.33 1.64 4.71 -1.24 -3.69 120.64 121.73 1x4b n GLU 25 Ca 0.14 0.24 0.15 0.00 -0.01 0.00 0.00 57.16 57.69 1x4b n GLU 25 Cb 0.28 -1.09 0.82 0.00 -1.01 0.00 0.00 31.44 30.44 1x4b n GLU 25 CO 0.00 0.00 0.00 -0.56 0.09 0.00 0.00 177.13 176.66 1x4b h GLN 26 N -0.50 0.00 0.08 3.49 -0.00 -1.72 1.54 115.11 118.00 1x4b h GLN 26 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 58.65 58.42 1x4b h GLN 26 Cb 0.38 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 27.88 1x4b h GLN 26 CO 0.00 0.00 -0.95 0.74 -0.00 0.00 0.00 178.83 178.62 1x4b h PHE 27 N 0.00 0.80 -0.27 0.06 -1.00 -1.73 -3.32 116.94 111.48 1x4b h PHE 27 Ca 0.00 -0.49 -0.09 0.00 2.81 0.00 0.00 57.97 60.19 1x4b h PHE 27 Cb 0.65 -0.07 -0.06 0.00 3.61 0.00 0.00 35.95 40.09 1x4b h PHE 27 CO 0.00 1.34 -0.07 0.54 -1.61 0.00 0.00 178.31 178.51 1x4b n ARG 28 N -4.00 2.11 -3.87 1.51 1.74 0.80 -4.94 116.66 110.01 1x4b n ARG 28 Ca -0.13 -3.02 -0.35 0.00 -0.77 0.00 0.00 57.85 53.59 1x4b n ARG 28 Cb 0.85 -1.78 -0.14 0.00 -1.02 0.00 0.00 32.46 30.37 1x4b n ARG 28 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1x4b s LYS 29 N -3.07 3.24 -0.21 5.56 2.36 0.49 -2.84 119.74 125.27 1x4b s LYS 29 Ca 0.42 -0.72 -0.06 0.00 -2.55 0.00 0.00 55.97 53.06 1x4b s LYS 29 Cb 0.37 -3.10 -0.03 0.00 -1.05 0.00 0.00 37.83 34.02 1x4b s LYS 29 CO 0.03 -0.28 0.02 -0.51 1.55 0.00 0.00 175.35 176.16 1x4b s LEU 30 N 1.47 3.34 -0.46 5.43 1.02 -0.78 -4.34 118.68 124.36 1x4b s LEU 30 Ca 0.04 -0.18 -0.24 0.00 0.02 0.00 0.00 54.13 53.77 1x4b s LEU 30 Cb -0.15 -1.86 0.03 0.00 0.02 0.00 0.00 46.19 44.23 1x4b s LEU 30 CO -0.02 0.05 0.86 0.12 0.02 0.00 0.00 176.35 177.38 1x4b s PHE 31 N 1.09 2.95 0.03 0.29 2.19 0.13 -0.66 117.98 123.99 1x4b s PHE 31 Ca 0.03 0.24 -0.25 0.00 0.33 0.00 0.00 56.93 57.27 1x4b s PHE 31 Cb -0.14 -3.83 -0.05 0.00 -1.31 0.00 0.00 43.02 37.68 1x4b s PHE 31 CO 0.02 -1.07 0.78 0.42 1.83 0.00 0.00 175.22 177.20 1x4b s ILE 32 N 3.54 4.76 -0.06 3.12 -1.09 0.69 0.61 121.20 132.78 1x4b s ILE 32 Ca 0.33 1.65 0.05 0.00 -2.23 0.00 0.00 60.65 60.46 1x4b s ILE 32 Cb -0.11 -4.13 -0.01 0.00 -1.58 0.00 0.00 42.46 36.63 1x4b s ILE 32 CO 0.24 0.34 -0.23 -0.83 -1.23 0.00 0.00 174.94 173.23 1x4b s GLY 33 N 0.10 1.20 -0.01 6.18 0.00 -0.14 -1.09 107.32 113.54 1x4b s GLY 33 Ca 0.40 -0.94 -0.00 0.00 0.00 0.00 0.00 44.72 44.17 1x4b s GLY 33 CO 0.23 -0.54 0.02 0.61 0.00 0.00 0.00 173.10 173.42 1x4b n GLY 34 N 3.05 -0.55 0.98 0.20 0.00 0.50 -0.73 105.19 108.63 1x4b n GLY 34 Ca -0.18 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 45.85 1x4b n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x4b n LEU 35 N -0.70 2.98 0.00 0.99 4.77 0.50 -4.30 117.00 121.24 1x4b n LEU 35 Ca 0.00 -1.14 0.00 0.00 -0.03 0.00 0.00 56.01 54.84 1x4b n LEU 35 Cb 0.21 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1x4b n LEU 35 CO 0.01 0.57 0.00 -1.54 -1.33 0.00 0.00 177.39 175.10 1x4b n SER 36 N 1.25 -0.11 0.00 -1.43 3.41 -1.26 -2.40 113.62 113.08 1x4b n SER 36 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1x4b n SER 36 Cb 0.57 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 1x4b n SER 36 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1x4b n PHE 37 N -2.03 0.00 -0.02 7.33 3.72 -1.26 -4.78 117.46 120.42 1x4b n PHE 37 Ca 0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.37 1x4b n PHE 37 Cb 0.00 -0.30 -0.01 0.00 -0.94 0.00 0.00 39.48 38.23 1x4b n PHE 37 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1x4b n GLU 38 N -2.00 0.19 -1.32 -1.08 0.00 -1.18 -4.56 120.64 110.68 1x4b n GLU 38 Ca 0.00 0.07 -0.35 0.00 0.00 0.00 0.00 57.16 56.88 1x4b n GLU 38 Cb 0.00 -0.75 -0.14 0.00 0.00 0.00 0.00 31.44 30.55 1x4b n GLU 38 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1x4b n THR 39 N -3.34 0.00 -0.42 6.31 -1.04 -1.01 -4.86 114.28 109.93 1x4b n THR 39 Ca -0.05 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1x4b n THR 39 Cb 0.18 -0.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.27 1x4b n THR 39 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1x4b n THR 40 N 6.53 0.00 0.23 12.58 -2.24 -1.26 -4.69 114.28 125.44 1x4b n THR 40 Ca 0.58 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 62.21 1x4b n THR 40 Cb 0.03 -1.73 -0.08 0.00 -2.10 0.00 0.00 70.33 66.45 1x4b n THR 40 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1x4b h GLU 41 N 0.00 -0.53 0.34 -0.78 5.08 -1.92 -1.19 114.58 115.58 1x4b h GLU 41 Ca 0.00 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1x4b h GLU 41 Cb 0.00 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1x4b h GLU 41 CO 0.00 -0.32 -0.17 0.93 -1.00 0.00 0.00 179.01 178.45 1x4b h GLU 42 N -0.61 -0.44 -1.66 2.33 5.08 -1.95 -0.10 114.58 117.23 1x4b h GLU 42 Ca -0.06 0.03 0.52 0.00 -1.00 0.00 0.00 59.36 58.86 1x4b h GLU 42 Cb 0.45 0.10 -0.11 0.00 0.50 0.00 0.00 28.75 29.69 1x4b h GLU 42 CO 0.09 -0.30 1.14 0.77 -1.00 0.00 0.00 179.01 179.71 1x4b h SER 43 N -0.46 0.11 0.05 1.42 0.02 -1.92 1.59 113.55 114.36 1x4b h SER 43 Ca -0.05 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1x4b h SER 43 Cb 0.36 0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1x4b h SER 43 CO 0.07 -0.14 -0.03 0.25 -1.14 0.00 0.00 176.83 175.84 1x4b h LEU 44 N 0.00 -0.06 0.16 5.07 5.85 -0.68 -3.16 115.31 122.50 1x4b h LEU 44 Ca 0.91 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 59.15 1x4b h LEU 44 Cb 3.28 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 44.31 1x4b h LEU 44 CO -0.26 0.47 -0.14 0.03 -0.34 0.00 0.00 178.44 178.20 1x4b h ARG 45 N -0.62 -0.31 -1.30 1.25 3.08 0.40 0.35 114.38 117.23 1x4b h ARG 45 Ca -0.01 0.02 0.38 0.00 0.07 0.00 0.00 59.98 60.44 1x4b h ARG 45 Cb 0.54 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.61 1x4b h ARG 45 CO 0.01 -0.21 1.13 -0.97 -1.07 0.00 0.00 179.97 178.86 1x4b h ASN 46 N -0.32 0.00 0.03 7.04 -1.24 -0.48 1.89 115.58 122.51 1x4b h ASN 46 Ca -0.00 0.00 -0.32 0.00 0.71 0.00 0.00 56.30 56.69 1x4b h ASN 46 Cb 0.30 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.31 1x4b h ASN 46 CO -0.03 0.00 -1.79 0.00 -1.29 0.00 0.00 177.43 174.32 1x4b n TYR 47 N -3.70 0.82 0.13 0.67 9.36 -0.29 -4.18 117.16 119.97 1x4b n TYR 47 Ca 0.29 0.28 -0.02 0.00 3.32 0.00 0.00 57.90 61.77 1x4b n TYR 47 Cb 1.53 -1.09 0.14 0.00 -0.63 0.00 0.00 39.34 39.29 1x4b n TYR 47 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1x4b n TYR 48 N -4.05 1.07 -0.08 2.98 4.01 0.16 -3.63 117.16 117.62 1x4b n TYR 48 Ca -0.37 -0.61 -0.06 0.00 -0.16 0.00 0.00 57.90 56.70 1x4b n TYR 48 Cb 0.84 -0.38 -0.16 0.00 -0.31 0.00 0.00 39.34 39.33 1x4b n TYR 48 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1x4b n GLU 49 N 0.09 0.68 0.12 -0.72 1.02 0.59 -3.47 120.64 118.95 1x4b n GLU 49 Ca 0.17 -0.03 0.12 0.00 -0.02 0.00 0.00 57.16 57.40 1x4b n GLU 49 Cb 0.79 -1.53 0.47 0.00 -0.02 0.00 0.00 31.44 31.15 1x4b n GLU 49 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x4b n GLN 50 N -2.67 0.18 -0.10 3.49 10.64 -1.24 -2.41 117.38 125.28 1x4b n GLN 50 Ca -0.26 0.39 -0.15 0.00 -1.83 0.00 0.00 57.00 55.15 1x4b n GLN 50 Cb 1.04 -1.83 -0.14 0.00 -0.86 0.00 0.00 30.24 28.45 1x4b n GLN 50 CO 0.00 0.00 0.00 0.91 -1.83 0.00 0.00 177.06 176.14 1x4b n TRP 51 N -2.17 0.22 0.00 2.61 8.01 -1.26 -5.06 117.44 119.78 1x4b n TRP 51 Ca 0.03 0.06 0.00 0.00 -1.31 0.00 0.00 57.50 56.27 1x4b n TRP 51 Cb 0.24 -1.03 0.00 0.00 -2.01 0.00 0.00 31.31 28.51 1x4b n TRP 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1x4b n GLY 52 N 1.99 1.12 3.68 6.99 0.00 -1.01 -4.51 105.19 113.45 1x4b n GLY 52 Ca -0.37 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 1x4b n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4b s LYS 53 N -2.00 4.38 -0.47 1.61 1.02 -1.26 -3.75 119.74 119.27 1x4b s LYS 53 Ca 0.00 1.32 -0.27 0.00 0.02 0.00 0.00 55.97 57.04 1x4b s LYS 53 Cb 0.00 -3.56 0.03 0.00 -0.52 0.00 0.00 37.83 33.78 1x4b s LYS 53 CO 0.00 -0.35 1.03 -0.51 -0.92 0.00 0.00 175.35 174.60 1x4b s LEU 54 N 2.16 3.82 0.00 3.17 1.43 -1.26 -2.10 118.68 125.90 1x4b s LEU 54 Ca 0.46 0.27 0.22 0.00 -1.03 0.00 0.00 54.13 54.05 1x4b s LEU 54 Cb -0.18 -3.36 0.95 0.00 0.03 0.00 0.00 46.19 43.64 1x4b s LEU 54 CO 0.16 -1.16 1.70 0.35 0.23 0.00 0.00 176.35 177.62 1x4b n THR 55 N 6.63 0.48 -3.29 5.49 -2.24 0.34 -4.55 114.28 117.15 1x4b n THR 55 Ca 0.09 0.12 0.03 0.00 -2.27 0.00 0.00 64.05 62.02 1x4b n THR 55 Cb 0.49 -0.75 -0.02 0.00 -2.10 0.00 0.00 70.33 67.95 1x4b n THR 55 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x4b s ASP 56 N -2.93 -1.29 -0.14 3.42 -1.08 -1.15 -4.99 116.67 108.50 1x4b s ASP 56 Ca 0.12 1.05 0.00 0.00 -0.52 0.00 0.00 52.55 53.20 1x4b s ASP 56 Cb 0.14 2.18 0.03 0.00 -1.46 0.00 0.00 42.92 43.81 1x4b s ASP 56 CO 0.39 -0.24 -0.11 0.00 0.52 0.00 0.00 175.17 175.73 1x4b s VAL 58 N 1.57 1.18 -0.20 0.00 1.01 -0.50 -4.94 120.40 118.52 1x4b s VAL 58 Ca 0.04 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1x4b s VAL 58 Cb -0.13 -0.99 0.04 0.00 0.00 0.00 0.00 36.38 35.30 1x4b s VAL 58 CO -0.09 0.34 -0.10 0.54 0.00 0.00 0.00 175.10 175.78 1x4b s VAL 59 N -0.32 1.63 0.51 2.92 0.11 -1.26 0.32 120.40 124.32 1x4b s VAL 59 Ca 0.05 -1.00 -0.22 0.00 -2.93 0.00 0.00 61.98 57.88 1x4b s VAL 59 Cb -0.06 -1.71 -0.06 0.00 -1.53 0.00 0.00 36.38 33.02 1x4b s VAL 59 CO -0.00 0.17 1.21 -0.04 -3.33 0.00 0.00 175.10 173.10 1x4b s MET 60 N 1.40 3.47 0.02 1.54 -1.94 -0.32 -4.94 119.30 118.52 1x4b s MET 60 Ca -0.01 1.85 0.06 0.00 -1.71 0.00 0.00 55.69 55.88 1x4b s MET 60 Cb -0.16 -2.25 -0.02 0.00 2.01 0.00 0.00 34.83 34.40 1x4b s MET 60 CO -0.08 -0.81 -0.18 1.03 -0.01 0.00 0.00 175.02 174.96 1x4b s ARG 61 N -2.91 1.33 0.06 2.03 0.52 -1.26 -1.43 118.95 117.29 1x4b s ARG 61 Ca 0.68 -0.76 -0.36 0.00 -0.52 0.00 0.00 55.73 54.77 1x4b s ARG 61 Cb -0.31 -1.35 -0.16 0.00 0.52 0.00 0.00 34.95 33.65 1x4b s ARG 61 CO 0.36 0.36 1.44 -3.47 0.02 0.00 0.00 175.30 174.00 1x4b n ASP 62 N 2.24 2.02 0.09 0.23 -0.08 -1.26 -4.63 116.55 115.15 1x4b n ASP 62 Ca -0.16 1.10 0.12 0.00 -1.51 0.00 0.00 54.79 54.34 1x4b n ASP 62 Cb 0.54 -1.23 0.45 0.00 2.34 0.00 0.00 41.12 43.22 1x4b n ASP 62 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1x4b n PRO 63 N 3.07 0.18 -0.10 -0.67 -0.04 -1.26 0.18 135.00 136.36 1x4b n PRO 63 Ca 0.19 0.28 -0.14 0.00 -0.04 0.00 0.00 63.50 63.79 1x4b n PRO 63 Cb 0.20 -1.77 -0.09 0.00 -0.04 0.00 0.00 33.50 31.81 1x4b n PRO 63 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x4b n ALA 64 N -1.72 1.59 0.07 0.55 0.00 -1.26 -4.57 120.51 115.17 1x4b n ALA 64 Ca 0.04 -0.83 -0.15 0.00 0.00 0.00 0.00 53.44 52.50 1x4b n ALA 64 Cb 0.31 0.06 -0.14 0.00 0.00 0.00 0.00 19.45 19.69 1x4b n ALA 64 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1x4b h SER 65 N -0.03 0.34 -5.58 0.00 0.87 -1.93 -3.48 113.55 103.75 1x4b h SER 65 Ca -0.43 -0.43 -0.38 0.00 -1.23 0.00 0.00 61.79 59.31 1x4b h SER 65 Cb 1.66 -0.11 0.13 0.00 -0.44 0.00 0.00 62.40 63.64 1x4b h SER 65 CO -0.08 1.35 -0.64 1.17 -0.53 0.00 0.00 176.83 178.10 1x4b n LYS 66 N -3.45 -7.55 0.00 2.24 3.00 0.49 -4.89 118.16 108.00 1x4b n LYS 66 Ca -0.12 0.78 0.00 0.00 -0.00 0.00 0.00 58.31 58.97 1x4b n LYS 66 Cb 1.03 -5.70 0.00 0.00 0.00 0.00 0.00 35.03 30.36 1x4b n LYS 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1x4b n ARG 67 N -4.76 0.00 -3.64 1.64 5.12 -1.25 -4.91 116.66 108.87 1x4b n ARG 67 Ca 0.01 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.86 1x4b n ARG 67 Cb 0.56 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.79 1x4b n ARG 67 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1x4b s SER 68 N -1.97 -0.70 -0.03 0.55 0.15 -1.26 -4.65 113.70 105.78 1x4b s SER 68 Ca 0.00 1.17 -0.21 0.00 0.70 0.00 0.00 55.95 57.61 1x4b s SER 68 Cb 0.00 1.26 -0.31 0.00 -1.71 0.00 0.00 66.02 65.26 1x4b s SER 68 CO 0.00 -0.19 0.93 0.03 1.20 0.00 0.00 173.24 175.22 1x4b h ARG 69 N 6.00 0.35 0.00 5.44 2.47 -1.50 -3.36 114.38 123.77 1x4b h ARG 69 Ca -0.29 -0.56 0.00 0.00 -1.26 0.00 0.00 59.98 57.87 1x4b h ARG 69 Cb 1.20 0.20 0.00 0.00 -1.65 0.00 0.00 29.97 29.72 1x4b h ARG 69 CO 0.15 1.26 0.00 0.41 0.56 0.00 0.00 179.97 182.35 1x4b n GLY 70 N 1.60 1.67 3.48 0.04 0.00 -1.26 -4.72 105.19 106.01 1x4b n GLY 70 Ca -0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.72 1x4b n GLY 70 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1x4b s PHE 71 N -2.00 -0.60 0.00 1.61 -0.12 -1.26 0.19 117.98 115.80 1x4b s PHE 71 Ca 0.00 1.12 0.00 0.00 -0.05 0.00 0.00 56.93 58.00 1x4b s PHE 71 Cb 0.00 0.33 0.00 0.00 -0.63 0.00 0.00 43.02 42.72 1x4b s PHE 71 CO 0.00 -0.52 0.00 0.41 -0.05 0.00 0.00 175.22 175.06 1x4b n GLY 72 N 1.33 3.54 3.10 1.99 0.00 -0.25 -1.18 105.19 113.73 1x4b n GLY 72 Ca -0.18 -0.87 -0.19 0.00 0.00 0.00 0.00 46.02 44.78 1x4b n GLY 72 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x4b s PHE 73 N -2.31 1.05 -0.19 1.61 0.40 0.15 -0.22 117.98 118.48 1x4b s PHE 73 Ca 0.00 -0.33 -0.01 0.00 -0.60 0.00 0.00 56.93 55.99 1x4b s PHE 73 Cb 0.00 -0.63 0.05 0.00 0.51 0.00 0.00 43.02 42.95 1x4b s PHE 73 CO 0.00 0.01 -0.01 0.14 0.70 0.00 0.00 175.22 176.06 1x4b s VAL 74 N -0.79 0.88 -0.38 -0.44 -7.23 0.16 -1.41 120.40 111.20 1x4b s VAL 74 Ca 0.00 -0.69 -0.14 0.00 -1.81 0.00 0.00 61.98 59.35 1x4b s VAL 74 Cb -0.07 -1.24 0.01 0.00 0.56 0.00 0.00 36.38 35.64 1x4b s VAL 74 CO 0.01 -0.08 0.27 -0.89 -0.31 0.00 0.00 175.10 174.09 1x4b s THR 75 N 1.71 5.15 0.86 5.32 2.01 0.93 -1.86 115.64 129.76 1x4b s THR 75 Ca -0.01 -0.56 -0.12 0.00 0.31 0.00 0.00 61.69 61.31 1x4b s THR 75 Cb -0.17 -3.80 0.11 0.00 0.01 0.00 0.00 72.50 68.65 1x4b s THR 75 CO -0.07 -0.21 1.16 -0.36 -0.69 0.00 0.00 174.62 174.45 1x4b s PHE 76 N 1.67 2.72 -0.09 4.92 0.08 -1.13 0.13 117.98 126.27 1x4b s PHE 76 Ca 0.05 0.80 -0.24 0.00 0.12 0.00 0.00 56.93 57.66 1x4b s PHE 76 Cb -0.19 -3.45 -0.29 0.00 -0.57 0.00 0.00 43.02 38.53 1x4b s PHE 76 CO 0.10 -2.09 0.78 1.03 -0.10 0.00 0.00 175.22 174.94 1x4b h SER 77 N -1.29 0.28 -2.60 1.36 0.87 -1.78 -3.41 113.55 106.99 1x4b h SER 77 Ca -0.48 -0.94 -0.60 0.00 -1.23 0.00 0.00 61.79 58.54 1x4b h SER 77 Cb 1.33 -0.09 -0.13 0.00 -0.44 0.00 0.00 62.40 63.07 1x4b h SER 77 CO 0.64 1.30 -0.71 -0.44 -0.53 0.00 0.00 176.83 177.08 1x4b s SER 78 N -6.73 4.13 0.35 6.23 0.01 -1.26 -5.01 113.70 111.41 1x4b s SER 78 Ca -0.17 -0.72 0.27 0.00 1.31 0.00 0.00 55.95 56.64 1x4b s SER 78 Cb 0.00 -0.63 0.95 0.00 0.21 0.00 0.00 66.02 66.55 1x4b s SER 78 CO 0.77 0.06 1.78 -0.03 0.41 0.00 0.00 173.24 176.23 1x4b h MET 79 N 2.47 0.00 0.37 12.44 4.05 -1.99 -3.17 114.93 129.10 1x4b h MET 79 Ca -0.44 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 58.96 1x4b h MET 79 Cb 1.23 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.03 1x4b h MET 79 CO 0.57 0.00 -0.18 0.00 0.23 0.00 0.00 176.91 177.53 1x4b h ALA 80 N 2.22 -0.49 -0.32 0.39 0.00 -1.98 -2.30 119.26 116.77 1x4b h ALA 80 Ca 0.00 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.81 1x4b h ALA 80 Cb 0.58 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.49 1x4b h ALA 80 CO 0.00 -0.48 -0.54 0.93 0.00 0.00 0.00 179.25 179.16 1x4b h GLU 81 N -1.08 -0.43 -0.66 0.00 3.07 -1.78 0.90 114.58 114.58 1x4b h GLU 81 Ca -0.05 0.03 0.14 0.00 -0.50 0.00 0.00 59.36 58.98 1x4b h GLU 81 Cb 0.45 0.10 -0.12 0.00 -0.84 0.00 0.00 28.75 28.34 1x4b h GLU 81 CO 0.08 -0.29 -0.07 -0.24 -1.40 0.00 0.00 179.01 177.09 1x4b h VAL 82 N -0.45 0.39 -0.83 3.13 3.04 -1.66 1.12 116.25 120.99 1x4b h VAL 82 Ca 0.07 -0.02 0.17 0.00 -1.01 0.00 0.00 66.70 65.91 1x4b h VAL 82 Cb 0.62 0.33 -0.06 0.00 -2.01 0.00 0.00 31.29 30.17 1x4b h VAL 82 CO -0.55 0.01 0.55 -0.78 -1.01 0.00 0.00 177.57 175.80 1x4b h ASP 83 N 0.06 0.41 0.76 3.17 1.82 -0.32 -1.30 116.42 121.02 1x4b h ASP 83 Ca 0.34 0.03 -0.04 0.00 -0.39 0.00 0.00 57.03 56.97 1x4b h ASP 83 Cb 0.55 -0.05 0.01 0.00 0.68 0.00 0.00 39.33 40.52 1x4b h ASP 83 CO -0.62 0.19 -0.36 0.00 -1.61 0.00 0.00 179.24 176.83 1x4b h ALA 84 N 1.62 -1.15 -0.96 -0.78 0.00 0.33 -2.19 119.26 116.13 1x4b h ALA 84 Ca 0.42 -0.22 0.30 0.00 0.00 0.00 0.00 54.91 55.41 1x4b h ALA 84 Cb 0.99 0.39 -0.15 0.00 0.00 0.00 0.00 17.79 19.02 1x4b h ALA 84 CO -0.15 -1.08 0.40 0.00 0.00 0.00 0.00 179.25 178.42 1x4b h ALA 85 N -1.43 1.67 -0.94 0.00 0.00 -0.49 1.23 119.26 119.30 1x4b h ALA 85 Ca -0.10 0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1x4b h ALA 85 Cb 0.78 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 1x4b h ALA 85 CO 0.17 -0.58 0.60 0.52 0.00 0.00 0.00 179.25 179.96 1x4b h MET 86 N 0.22 1.06 -1.61 0.00 2.07 -0.99 -1.78 114.93 113.90 1x4b h MET 86 Ca 0.67 -0.06 -0.72 0.00 -2.07 0.00 0.00 59.70 57.52 1x4b h MET 86 Cb 1.50 -0.24 -0.30 0.00 -1.87 0.00 0.00 31.60 30.70 1x4b h MET 86 CO -0.67 0.70 0.78 0.00 1.07 0.00 0.00 176.91 178.79 1x4b n ALA 87 N -2.36 6.29 -2.80 6.32 0.00 0.42 -4.37 120.51 124.01 1x4b n ALA 87 Ca 0.14 -3.93 -0.01 0.00 0.00 0.00 0.00 53.44 49.63 1x4b n ALA 87 Cb 0.18 -1.74 0.06 0.00 0.00 0.00 0.00 19.45 17.95 1x4b n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x4b n ALA 88 N -0.65 2.68 -2.68 0.00 0.00 -0.67 -4.95 120.51 114.24 1x4b n ALA 88 Ca 0.55 -2.54 -0.23 0.00 0.00 0.00 0.00 53.44 51.22 1x4b n ALA 88 Cb 0.43 -0.88 -0.01 0.00 0.00 0.00 0.00 19.45 18.98 1x4b n ALA 88 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1x4b s ARG 89 N -3.18 3.40 0.35 0.00 0.52 -1.26 -4.48 118.95 114.30 1x4b s ARG 89 Ca 0.25 -0.51 -0.06 0.00 -0.52 0.00 0.00 55.73 54.89 1x4b s ARG 89 Cb 0.35 -2.72 0.08 0.00 0.52 0.00 0.00 34.95 33.19 1x4b s ARG 89 CO -0.04 0.16 0.39 -0.35 0.02 0.00 0.00 175.30 175.48 1x4b n PRO 90 N -1.72 -1.04 -4.35 3.54 -0.04 -1.26 -5.15 135.00 124.98 1x4b n PRO 90 Ca -0.05 -0.61 -0.30 0.00 -0.04 0.00 0.00 63.50 62.50 1x4b n PRO 90 Cb 0.57 -0.48 -0.17 0.00 -0.04 0.00 0.00 33.50 33.38 1x4b n PRO 90 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1x4b s HIS 91 N -1.79 2.19 -0.21 0.54 3.76 -1.26 -5.08 115.29 113.44 1x4b s HIS 91 Ca 0.24 -1.12 0.01 0.00 -0.15 0.00 0.00 55.06 54.04 1x4b s HIS 91 Cb -0.01 -1.56 0.03 0.00 1.11 0.00 0.00 32.58 32.14 1x4b s HIS 91 CO 0.17 -0.57 -0.16 -1.54 -0.85 0.00 0.00 174.74 171.79 1x4b s SER 92 N 1.12 3.59 0.02 1.40 1.04 -1.26 -0.14 113.70 119.46 1x4b s SER 92 Ca -0.03 -0.86 0.01 0.00 0.48 0.00 0.00 55.95 55.55 1x4b s SER 92 Cb -0.14 -1.52 -0.01 0.00 0.10 0.00 0.00 66.02 64.45 1x4b s SER 92 CO -0.05 -0.06 -0.05 -0.63 0.98 0.00 0.00 173.24 173.43 1x4b s ILE 93 N 1.24 0.37 -0.43 -1.02 1.01 0.05 -4.74 121.20 117.68 1x4b s ILE 93 Ca 0.01 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 59.98 1x4b s ILE 93 Cb -0.15 -0.41 0.00 0.00 0.01 0.00 0.00 42.46 41.91 1x4b s ILE 93 CO -0.10 -0.21 0.00 -0.67 0.00 0.00 0.00 174.94 173.96 1x4b n ASP 94 N 2.10 -5.24 0.00 3.58 2.03 -1.26 -0.69 116.55 117.08 1x4b n ASP 94 Ca -0.19 0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.22 1x4b n ASP 94 Cb 0.56 -3.10 0.00 0.00 -0.72 0.00 0.00 41.12 37.87 1x4b n ASP 94 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x4b n GLY 95 N -0.17 0.44 3.25 0.27 0.00 -1.26 -5.04 105.19 102.67 1x4b n GLY 95 Ca -0.04 -0.98 -0.16 0.00 0.00 0.00 0.00 46.02 44.83 1x4b n GLY 95 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1x4b s ARG 96 N -1.79 1.05 -0.39 1.61 1.04 0.13 -5.11 118.95 115.49 1x4b s ARG 96 Ca 0.00 -1.34 -0.25 0.00 -1.04 0.00 0.00 55.73 53.10 1x4b s ARG 96 Cb 0.00 -0.78 0.02 0.00 -2.04 0.00 0.00 34.95 32.15 1x4b s ARG 96 CO 0.00 0.13 0.88 0.08 -0.04 0.00 0.00 175.30 176.34 1x4b s VAL 97 N -2.70 4.61 0.18 4.99 1.01 -1.26 -0.77 120.40 126.46 1x4b s VAL 97 Ca 0.13 0.97 0.02 0.00 0.00 0.00 0.00 61.98 63.09 1x4b s VAL 97 Cb -0.02 -4.32 0.03 0.00 0.00 0.00 0.00 36.38 32.08 1x4b s VAL 97 CO 0.02 -0.58 0.25 1.33 0.00 0.00 0.00 175.10 176.12 1x4b n VAL 98 N 6.02 0.00 -3.24 2.92 0.24 0.80 -4.99 118.33 120.08 1x4b n VAL 98 Ca 0.05 -0.52 -0.02 0.00 -2.04 0.00 0.00 64.34 61.82 1x4b n VAL 98 Cb 0.48 -0.99 -0.04 0.00 -1.47 0.00 0.00 33.84 31.82 1x4b n VAL 98 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1x4b s GLU 99 N -2.89 0.47 0.68 7.34 1.03 0.09 -4.39 118.70 121.03 1x4b s GLU 99 Ca 0.18 0.74 -0.11 0.00 0.03 0.00 0.00 54.97 55.81 1x4b s GLU 99 Cb -0.01 0.07 0.00 0.00 -0.80 0.00 0.00 34.13 33.39 1x4b s GLU 99 CO 0.12 -0.67 1.06 -1.25 -1.33 0.00 0.00 175.26 173.18 1x4b s PRO 100 N 2.71 2.99 -0.01 -4.83 0.04 -1.26 -0.97 135.00 133.68 1x4b s PRO 100 Ca 0.16 0.98 0.01 0.00 0.04 0.00 0.00 61.00 62.19 1x4b s PRO 100 Cb -0.15 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1x4b s PRO 100 CO -0.20 -1.06 -0.01 0.15 0.04 0.00 0.00 177.00 175.92 1x4b s LYS 101 N -4.94 0.17 0.48 4.56 -0.14 0.20 -4.83 119.74 115.24 1x4b s LYS 101 Ca 0.59 -0.03 0.27 0.00 -1.36 0.00 0.00 55.97 55.44 1x4b s LYS 101 Cb -0.14 -0.21 1.49 0.00 -1.68 0.00 0.00 37.83 37.29 1x4b s LYS 101 CO 0.53 0.00 1.82 -0.09 -0.76 0.00 0.00 175.35 176.85 1x4b h ARG 102 N 6.36 0.00 0.00 1.68 2.43 -1.90 0.37 114.38 123.32 1x4b h ARG 102 Ca -0.30 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 1x4b h ARG 102 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1x4b h ARG 102 CO 0.50 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.96 1x4b n ALA 103 N -1.83 0.00 -2.52 2.80 0.00 -1.26 -4.48 120.51 113.22 1x4b n ALA 103 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.16 1x4b n ALA 103 Cb 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.53 1x4b n ALA 103 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1x4b s VAL 104 N 0.00 2.84 0.00 0.00 1.01 -1.26 -4.89 120.40 118.10 1x4b s VAL 104 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 61.98 60.04 1x4b s VAL 104 Cb 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 33.96 1x4b s VAL 104 CO 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 175.10 174.90 1x4b n ALA 105 N -0.12 -2.98 -2.84 5.51 0.00 -1.26 -4.89 120.51 113.94 1x4b n ALA 105 Ca -0.10 0.01 -0.11 0.00 0.00 0.00 0.00 53.44 53.24 1x4b n ALA 105 Cb 0.57 -0.35 0.05 0.00 0.00 0.00 0.00 19.45 19.72 1x4b n ALA 105 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1x4b n ARG 106 N 0.03 -1.80 -3.91 0.00 0.63 -1.26 -4.90 116.66 105.45 1x4b n ARG 106 Ca 0.00 0.66 -0.10 0.00 -0.92 0.00 0.00 57.85 57.49 1x4b n ARG 106 Cb 0.00 -4.80 -0.01 0.00 0.45 0.00 0.00 32.46 28.10 1x4b n ARG 106 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 1x4b s GLU 107 N -4.08 1.98 -0.26 -0.14 4.04 -1.26 -5.04 118.70 113.94 1x4b s GLU 107 Ca 0.34 -1.41 -0.11 0.00 0.04 0.00 0.00 54.97 53.83 1x4b s GLU 107 Cb -0.04 0.56 0.10 0.00 0.02 0.00 0.00 34.13 34.76 1x4b s GLU 107 CO 0.56 -0.89 0.58 -1.21 -1.84 0.00 0.00 175.26 172.47 1x4b s GLU 108 N -3.03 0.54 0.00 -4.83 2.02 -1.26 -5.15 118.70 107.00 1x4b s GLU 108 Ca 0.19 1.21 0.00 0.00 0.02 0.00 0.00 54.97 56.40 1x4b s GLU 108 Cb -0.03 0.43 0.00 0.00 0.10 0.00 0.00 34.13 34.62 1x4b s GLU 108 CO 0.12 -0.19 0.00 -1.13 0.02 0.00 0.00 175.26 174.08 1x4b n SER 109 N 4.94 0.00 0.00 -0.19 3.41 -1.26 -5.17 113.62 115.35 1x4b n SER 109 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 1x4b n SER 109 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1x4b n SER 109 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4b n GLY 110 N -0.04 -0.11 3.64 5.00 0.00 -1.26 -5.09 105.19 107.33 1x4b n GLY 110 Ca 0.00 -1.74 -0.04 0.00 0.00 0.00 0.00 46.02 44.24 1x4b n GLY 110 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4b s SER 111 N -2.14 -0.32 0.00 1.61 1.04 -1.26 -5.17 113.70 107.46 1x4b s SER 111 Ca 0.00 0.57 0.00 0.00 0.48 0.00 0.00 55.95 57.00 1x4b s SER 111 Cb 0.00 0.82 0.00 0.00 0.10 0.00 0.00 66.02 66.94 1x4b s SER 111 CO 0.00 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.74 1x4b n GLY 112 N 2.65 2.38 3.80 7.32 0.00 -1.26 -5.12 105.19 114.96 1x4b n GLY 112 Ca -0.14 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 1x4b n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4b s PRO 113 N 3.35 3.55 -0.04 1.61 0.04 -1.26 -5.01 135.00 137.25 1x4b s PRO 113 Ca 0.00 1.24 -0.08 0.00 0.04 0.00 0.00 61.00 62.20 1x4b s PRO 113 Cb 0.00 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 1x4b s PRO 113 CO 0.00 -0.62 -0.16 0.45 0.04 0.00 0.00 177.00 176.71 1x4b n SER 114 N -1.59 1.43 -4.42 6.66 2.88 -1.26 -4.83 113.62 112.49 1x4b n SER 114 Ca 0.09 0.22 -0.44 0.00 -1.33 0.00 0.00 58.87 57.40 1x4b n SER 114 Cb 0.53 -0.51 -0.00 0.00 -0.75 0.00 0.00 64.21 63.48 1x4b n SER 114 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x4b s SER 115 N -5.98 7.17 0.00 -3.46 0.01 -1.26 -5.34 113.70 104.84 1x4b s SER 115 Ca -0.14 -3.22 0.00 0.00 1.31 0.00 0.00 55.95 53.90 1x4b s SER 115 Cb 0.02 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.92 1x4b s SER 115 CO 0.20 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 173.88