#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p4s s ARG 2 N 0.00 0.35 -0.02 0.03 3.52 -1.26 -3.96 118.95 117.61 1p4s s ARG 2 Ca 0.00 -0.52 -0.06 0.00 -0.13 0.00 0.00 55.73 55.03 1p4s s ARG 2 Cb 0.00 0.13 0.00 0.00 -1.56 0.00 0.00 34.95 33.52 1p4s s ARG 2 CO 0.00 -0.07 0.12 0.54 -0.81 0.00 0.00 175.30 175.08 1p4s s VAL 3 N -1.36 0.05 -0.19 7.11 0.11 -0.56 -2.71 120.40 122.85 1p4s s VAL 3 Ca -0.15 -0.45 -0.02 0.00 -2.93 0.00 0.00 61.98 58.43 1p4s s VAL 3 Cb -0.09 -0.32 0.05 0.00 -1.53 0.00 0.00 36.38 34.49 1p4s s VAL 3 CO -0.00 -0.25 0.00 -0.76 -3.33 0.00 0.00 175.10 170.76 1p4s s LEU 4 N -0.84 1.50 -0.17 2.54 2.01 -0.73 -2.07 118.68 120.92 1p4s s LEU 4 Ca -0.09 -0.82 -0.11 0.00 0.01 0.00 0.00 54.13 53.12 1p4s s LEU 4 Cb -0.05 -0.76 -0.05 0.00 0.01 0.00 0.00 46.19 45.34 1p4s s LEU 4 CO 0.01 -0.26 0.20 -0.22 1.01 0.00 0.00 176.35 177.09 1p4s s LEU 5 N 1.73 4.25 0.11 1.79 2.96 -0.51 -0.58 118.68 128.43 1p4s s LEU 5 Ca -0.01 0.39 -0.00 0.00 -0.22 0.00 0.00 54.13 54.28 1p4s s LEU 5 Cb -0.17 -2.21 -0.04 0.00 0.50 0.00 0.00 46.19 44.27 1p4s s LEU 5 CO -0.07 0.18 0.01 -0.76 -1.32 0.00 0.00 176.35 174.39 1p4s s LEU 6 N 0.20 2.09 0.00 -0.68 1.43 0.34 -2.17 118.68 119.89 1p4s s LEU 6 Ca 0.13 -1.13 0.00 0.00 -1.03 0.00 0.00 54.13 52.10 1p4s s LEU 6 Cb -0.12 0.19 0.00 0.00 0.03 0.00 0.00 46.19 46.29 1p4s s LEU 6 CO 0.01 -0.65 0.00 0.61 0.23 0.00 0.00 176.35 176.56 1p4s n GLY 7 N -0.05 4.10 3.58 -3.19 0.00 -1.26 -1.72 105.19 106.65 1p4s n GLY 7 Ca -0.09 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 1p4s n GLY 7 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1p4s n PRO 8 N 0.00 1.22 -1.51 1.61 -0.02 -1.26 -4.79 135.00 130.25 1p4s n PRO 8 Ca 0.00 0.44 -0.44 0.00 -2.02 0.00 0.00 63.50 61.47 1p4s n PRO 8 Cb 0.00 -1.93 -0.06 0.00 -0.02 0.00 0.00 33.50 31.49 1p4s n PRO 8 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1p4s n PRO 9 N 0.27 1.20 -2.67 0.52 -0.02 -1.26 -4.83 135.00 128.22 1p4s n PRO 9 Ca 0.10 0.26 -0.04 0.00 -2.02 0.00 0.00 63.50 61.80 1p4s n PRO 9 Cb 0.38 -2.81 0.06 0.00 -0.02 0.00 0.00 33.50 31.11 1p4s n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p4s n GLY 10 N 6.22 -1.74 3.61 -1.23 0.00 -1.26 -4.38 105.19 106.41 1p4s n GLY 10 Ca 0.40 1.12 -0.35 0.00 0.00 0.00 0.00 46.02 47.19 1p4s n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p4s n ALA 11 N 1.92 -2.46 0.00 4.61 0.00 -1.26 -4.58 120.51 118.74 1p4s n ALA 11 Ca 0.05 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1p4s n ALA 11 Cb 0.69 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1p4s n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p4s n GLY 12 N -0.68 1.46 0.00 0.00 0.00 -1.26 -4.77 105.19 99.94 1p4s n GLY 12 Ca -0.17 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1p4s n GLY 12 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1p4s n LYS 13 N 0.00 0.00 -0.33 1.61 5.02 -1.26 -4.96 118.16 118.24 1p4s n LYS 13 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 1p4s n LYS 13 Cb 0.00 0.00 0.29 0.00 -0.02 0.00 0.00 35.03 35.30 1p4s n LYS 13 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1p4s h GLY 14 N 0.00 1.64 0.89 0.72 0.00 -1.99 -0.72 103.07 103.60 1p4s h GLY 14 Ca 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 47.33 47.06 1p4s h GLY 14 CO 0.00 -0.10 0.37 -0.84 0.00 0.00 0.00 176.54 175.97 1p4s h THR 15 N 0.65 1.08 0.00 4.70 2.02 -2.01 -2.65 112.91 116.71 1p4s h THR 15 Ca 0.55 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.47 1p4s h THR 15 Cb 0.87 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1p4s h THR 15 CO -0.41 0.13 0.00 0.00 0.37 0.00 0.00 175.52 175.62 1p4s n GLN 16 N -4.73 0.22 -0.05 6.66 1.13 -0.88 -2.21 117.38 117.53 1p4s n GLN 16 Ca 0.05 0.20 -0.14 0.00 -1.94 0.00 0.00 57.00 55.18 1p4s n GLN 16 Cb 0.07 -1.77 -0.08 0.00 0.11 0.00 0.00 30.24 28.58 1p4s n GLN 16 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1p4s h ALA 17 N 2.56 0.21 -0.58 -1.58 0.00 -0.90 -1.93 119.26 117.04 1p4s h ALA 17 Ca 0.00 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 1p4s h ALA 17 Cb 0.67 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1p4s h ALA 17 CO 0.00 0.22 0.10 -0.24 0.00 0.00 0.00 179.25 179.32 1p4s h VAL 18 N 0.01 1.26 -0.85 0.00 3.04 -1.56 -2.42 116.25 115.72 1p4s h VAL 18 Ca 0.00 -0.98 0.10 0.00 -1.01 0.00 0.00 66.70 64.82 1p4s h VAL 18 Cb 0.88 0.77 -0.08 0.00 -2.01 0.00 0.00 31.29 30.85 1p4s h VAL 18 CO 0.06 0.36 0.49 0.11 -1.01 0.00 0.00 177.57 177.58 1p4s h LYS 19 N 0.86 0.77 -0.04 4.17 1.79 -1.54 -2.48 116.57 120.09 1p4s h LYS 19 Ca 0.18 -0.05 -0.10 0.00 -2.18 0.00 0.00 60.65 58.50 1p4s h LYS 19 Cb 0.41 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 1p4s h LYS 19 CO 0.01 0.51 -0.42 -0.07 -1.08 0.00 0.00 179.45 178.40 1p4s h LEU 20 N 0.79 0.09 -1.62 2.94 3.38 -1.32 -2.01 115.31 117.57 1p4s h LEU 20 Ca 0.42 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.31 1p4s h LEU 20 Cb 0.42 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1p4s h LEU 20 CO -0.26 0.50 -0.20 0.00 0.09 0.00 0.00 178.44 178.57 1p4s h ALA 21 N 1.50 1.63 0.12 1.53 0.00 -1.00 -1.43 119.26 121.61 1p4s h ALA 21 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1p4s h ALA 21 Cb 0.77 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1p4s h ALA 21 CO 0.06 0.25 -0.06 0.93 0.00 0.00 0.00 179.25 180.43 1p4s h GLU 22 N 0.00 -0.15 -3.19 0.00 5.08 -1.44 0.41 114.58 115.28 1p4s h GLU 22 Ca -0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1p4s h GLU 22 Cb 0.36 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1p4s h GLU 22 CO 0.03 0.07 0.40 1.17 -1.00 0.00 0.00 179.01 179.67 1p4s n LYS 23 N -5.07 0.00 -1.82 2.33 3.00 -0.55 -4.11 118.16 111.94 1p4s n LYS 23 Ca -0.08 -0.06 -0.13 0.00 -0.00 0.00 0.00 58.31 58.03 1p4s n LYS 23 Cb 0.17 -1.26 -0.03 0.00 0.00 0.00 0.00 35.03 33.91 1p4s n LYS 23 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1p4s n LEU 24 N 2.82 -1.27 0.00 3.14 -0.00 -1.12 -4.85 117.00 115.72 1p4s n LEU 24 Ca 0.00 0.15 0.00 0.00 -0.00 0.00 0.00 56.01 56.16 1p4s n LEU 24 Cb 0.00 -1.97 0.00 0.00 -0.00 0.00 0.00 43.42 41.45 1p4s n LEU 24 CO 0.20 -0.39 0.00 0.61 -0.00 0.00 0.00 177.39 177.81 1p4s n GLY 25 N -1.21 0.73 3.87 1.47 0.00 0.13 -5.02 105.19 105.17 1p4s n GLY 25 Ca -0.14 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 44.86 1p4s n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p4s s ILE 26 N -2.00 4.90 -0.95 -0.61 -1.09 -1.26 -5.02 121.20 115.18 1p4s s ILE 26 Ca 0.00 0.57 -0.24 0.00 -2.23 0.00 0.00 60.65 58.75 1p4s s ILE 26 Cb 0.00 -3.63 0.03 0.00 -1.58 0.00 0.00 42.46 37.27 1p4s s ILE 26 CO 0.00 -0.03 1.54 -2.16 -1.23 0.00 0.00 174.94 173.05 1p4s s PRO 27 N -2.70 3.31 -0.36 2.79 0.04 -1.26 -4.70 135.00 132.12 1p4s s PRO 27 Ca 0.47 -0.79 -0.28 0.00 0.04 0.00 0.00 61.00 60.44 1p4s s PRO 27 Cb -0.12 -5.12 -0.02 0.00 0.04 0.00 0.00 34.50 29.29 1p4s s PRO 27 CO 0.20 -2.44 1.81 1.14 0.04 0.00 0.00 177.00 177.75 1p4s s GLN 28 N 5.53 3.26 -0.31 4.56 1.03 -1.26 -4.02 119.66 128.46 1p4s s GLN 28 Ca 0.50 1.35 -0.09 0.00 0.04 0.00 0.00 55.36 57.16 1p4s s GLN 28 Cb -0.03 -4.22 0.00 0.00 0.03 0.00 0.00 33.01 28.80 1p4s s GLN 28 CO -0.04 -1.94 0.13 0.42 -2.54 0.00 0.00 175.29 171.32 1p4s s ILE 29 N 7.12 4.39 -0.14 3.63 -1.09 -0.40 -5.02 121.20 129.70 1p4s s ILE 29 Ca 0.79 -0.54 -0.13 0.00 -2.23 0.00 0.00 60.65 58.53 1p4s s ILE 29 Cb -0.21 -3.26 -0.05 0.00 -1.58 0.00 0.00 42.46 37.36 1p4s s ILE 29 CO 0.32 0.05 0.29 -0.94 -1.23 0.00 0.00 174.94 173.43 1p4s s SER 30 N 1.57 6.47 0.38 3.58 1.04 -1.26 -1.96 113.70 123.52 1p4s s SER 30 Ca 0.04 0.56 0.28 0.00 0.48 0.00 0.00 55.95 57.30 1p4s s SER 30 Cb -0.17 -2.18 1.21 0.00 0.10 0.00 0.00 66.02 64.97 1p4s s SER 30 CO 0.05 0.16 1.83 0.71 0.98 0.00 0.00 173.24 176.97 1p4s h THR 31 N 4.49 0.00 0.00 2.02 1.35 -1.84 -2.72 112.91 116.21 1p4s h THR 31 Ca -0.44 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 1p4s h THR 31 Cb 1.18 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1p4s h THR 31 CO 0.72 0.00 -0.46 1.23 -0.25 0.00 0.00 175.52 176.76 1p4s h GLY 32 N 1.82 0.00 0.04 5.82 0.00 -1.94 -3.39 103.07 105.41 1p4s h GLY 32 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1p4s h GLY 32 CO 0.00 0.00 -0.19 -2.09 0.00 0.00 0.00 176.54 174.26 1p4s h GLU 33 N 0.00 0.02 -0.63 4.80 4.81 -1.91 -1.76 114.58 119.90 1p4s h GLU 33 Ca 0.00 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 1p4s h GLU 33 Cb 0.99 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 1p4s h GLU 33 CO 0.00 1.01 0.07 1.37 -0.73 0.00 0.00 179.01 180.73 1p4s h LEU 34 N -0.96 1.02 -0.65 1.64 -0.00 -1.83 -2.10 115.31 112.43 1p4s h LEU 34 Ca -0.05 -0.26 -0.06 0.00 -0.00 0.00 0.00 57.88 57.51 1p4s h LEU 34 Cb 1.07 -0.27 -0.03 0.00 -0.00 0.00 0.00 40.66 41.43 1p4s h LEU 34 CO -0.01 1.04 0.16 -0.26 -0.00 0.00 0.00 178.44 179.36 1p4s h PHE 35 N 0.99 1.09 -0.85 0.17 0.04 -1.77 -2.07 116.94 114.54 1p4s h PHE 35 Ca 0.19 -0.13 0.06 0.00 2.80 0.00 0.00 57.97 60.89 1p4s h PHE 35 Cb 0.47 -0.31 -0.06 0.00 2.20 0.00 0.00 35.95 38.25 1p4s h PHE 35 CO 0.03 0.90 0.53 -0.09 -0.60 0.00 0.00 178.31 179.08 1p4s h ARG 36 N 0.96 0.94 -0.72 1.51 2.43 -1.28 -1.38 114.38 116.84 1p4s h ARG 36 Ca 0.20 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 1p4s h ARG 36 Cb 0.36 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 1p4s h ARG 36 CO 0.00 0.62 0.38 -0.09 -1.51 0.00 0.00 179.97 179.37 1p4s h ARG 37 N 0.97 1.01 -0.01 0.20 2.43 -1.29 -2.24 114.38 115.46 1p4s h ARG 37 Ca 0.37 -0.12 -0.09 0.00 -0.81 0.00 0.00 59.98 59.33 1p4s h ARG 37 Cb 0.16 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1p4s h ARG 37 CO -0.17 0.76 -0.40 -0.91 -1.51 0.00 0.00 179.97 177.74 1p4s h ASN 38 N 1.01 0.02 -0.44 -3.80 2.35 -1.13 -2.11 115.58 111.49 1p4s h ASN 38 Ca 0.25 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.98 1p4s h ASN 38 Cb 0.05 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 1p4s h ASN 38 CO -0.04 0.42 0.20 0.40 -1.65 0.00 0.00 177.43 176.76 1p4s h ILE 39 N 0.02 1.19 -0.55 2.81 2.04 -1.02 -0.78 117.51 121.22 1p4s h ILE 39 Ca -0.00 -0.56 -0.06 0.00 1.00 0.00 0.00 64.86 65.24 1p4s h ILE 39 Cb 0.72 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1p4s h ILE 39 CO 0.05 0.21 0.10 -0.33 0.00 0.00 0.00 178.15 178.18 1p4s h GLU 40 N 0.57 0.90 0.00 2.37 5.08 -1.38 -3.32 114.58 118.80 1p4s h GLU 40 Ca 0.15 -0.23 -0.18 0.00 -1.00 0.00 0.00 59.36 58.09 1p4s h GLU 40 Cb 0.15 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1p4s h GLU 40 CO -0.02 0.86 -0.84 0.93 -1.00 0.00 0.00 179.01 178.95 1p4s h GLU 41 N 0.79 0.06 -1.74 2.33 5.08 -1.41 -3.50 114.58 116.19 1p4s h GLU 41 Ca 0.17 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1p4s h GLU 41 Cb 0.39 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1p4s h GLU 41 CO 0.01 0.86 0.00 0.41 -1.00 0.00 0.00 179.01 179.29 1p4s n GLY 42 N 0.85 0.12 0.12 -3.84 0.00 -0.31 -5.08 105.19 97.04 1p4s n GLY 42 Ca -0.02 -0.41 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 1p4s n GLY 42 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1p4s n THR 43 N -0.52 1.57 0.00 2.61 -2.24 -1.14 -5.05 114.28 109.50 1p4s n THR 43 Ca 0.00 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1p4s n THR 43 Cb 0.23 -1.90 0.00 0.00 -2.10 0.00 0.00 70.33 66.56 1p4s n THR 43 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1p4s n LYS 44 N -4.15 0.00 0.05 -0.78 5.02 -1.26 -4.81 118.16 112.22 1p4s n LYS 44 Ca -0.40 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.02 1p4s n LYS 44 Cb 0.82 0.00 0.45 0.00 -0.02 0.00 0.00 35.03 36.28 1p4s n LYS 44 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1p4s n LEU 45 N 0.00 0.44 0.28 -0.35 -0.00 -1.26 -4.14 117.00 111.97 1p4s n LEU 45 Ca 0.00 0.44 -0.16 0.00 -0.00 0.00 0.00 56.01 56.30 1p4s n LEU 45 Cb 0.00 -0.37 -0.08 0.00 -0.00 0.00 0.00 43.42 42.97 1p4s n LEU 45 CO 0.00 -0.06 0.59 1.23 -0.00 0.00 0.00 177.39 179.15 1p4s h GLY 46 N 4.77 -0.74 0.27 1.47 0.00 -1.87 -3.27 103.07 103.70 1p4s h GLY 46 Ca 0.00 0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.60 1p4s h GLY 46 CO 0.00 -0.27 -0.00 -0.24 0.00 0.00 0.00 176.54 176.03 1p4s h VAL 47 N -0.86 1.57 -0.33 4.60 3.04 -1.84 -1.99 116.25 120.45 1p4s h VAL 47 Ca -0.07 -1.70 -0.06 0.00 -1.01 0.00 0.00 66.70 63.86 1p4s h VAL 47 Cb 0.60 2.72 -0.01 0.00 -2.01 0.00 0.00 31.29 32.59 1p4s h VAL 47 CO 0.12 0.44 -0.02 -0.33 -1.01 0.00 0.00 177.57 176.77 1p4s h GLU 48 N -0.73 0.59 0.00 4.17 5.08 -1.79 -2.66 114.58 119.24 1p4s h GLU 48 Ca -0.00 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 58.04 1p4s h GLU 48 Cb 0.72 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1p4s h GLU 48 CO 0.00 0.73 -0.58 0.00 -1.00 0.00 0.00 179.01 178.16 1p4s h ALA 49 N 0.84 0.98 -0.02 3.43 0.00 -1.68 -2.37 119.26 120.44 1p4s h ALA 49 Ca 0.09 -0.53 -0.21 0.00 0.00 0.00 0.00 54.91 54.26 1p4s h ALA 49 Cb 0.47 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1p4s h ALA 49 CO 0.02 0.73 -0.88 -0.22 0.00 0.00 0.00 179.25 178.90 1p4s h LYS 50 N 0.00 0.38 0.08 0.00 3.11 -1.45 -2.86 116.57 115.83 1p4s h LYS 50 Ca -0.01 -0.38 -0.00 0.00 -2.81 0.00 0.00 60.65 57.45 1p4s h LYS 50 Cb 1.06 0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.40 1p4s h LYS 50 CO 0.08 1.05 -0.04 -0.09 -2.81 0.00 0.00 179.45 177.64 1p4s h ARG 51 N 0.22 -0.11 -0.03 1.90 2.43 -1.38 -2.20 114.38 115.22 1p4s h ARG 51 Ca -0.06 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1p4s h ARG 51 Cb 1.50 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 31.07 1p4s h ARG 51 CO 0.15 0.44 -0.02 0.66 -1.51 0.00 0.00 179.97 179.69 1p4s n TYR 52 N -4.83 -0.01 -0.14 2.20 4.01 -0.90 -3.02 117.16 114.46 1p4s n TYR 52 Ca -0.08 0.03 0.17 0.00 -0.16 0.00 0.00 57.90 57.86 1p4s n TYR 52 Cb 0.30 -0.19 0.54 0.00 -0.31 0.00 0.00 39.34 39.68 1p4s n TYR 52 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1p4s h LEU 53 N 0.00 0.31 0.06 7.72 5.85 -1.47 -2.68 115.31 125.11 1p4s h LEU 53 Ca 0.00 0.02 -0.33 0.00 0.84 0.00 0.00 57.88 58.41 1p4s h LEU 53 Cb 0.01 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1p4s h LEU 53 CO -0.03 0.16 -1.82 -0.67 -0.34 0.00 0.00 178.44 175.74 1p4s n ASP 54 N -4.46 2.01 -2.70 1.25 2.03 -0.83 -4.94 116.55 108.92 1p4s n ASP 54 Ca 0.14 0.26 -0.04 0.00 0.52 0.00 0.00 54.79 55.67 1p4s n ASP 54 Cb 0.57 -0.86 0.11 0.00 -0.72 0.00 0.00 41.12 40.21 1p4s n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1p4s n ALA 55 N -3.25 2.36 -2.69 -1.67 0.00 -1.17 -4.20 120.51 109.88 1p4s n ALA 55 Ca -0.35 -1.56 -0.07 0.00 0.00 0.00 0.00 53.44 51.47 1p4s n ALA 55 Cb 0.91 -0.90 0.10 0.00 0.00 0.00 0.00 19.45 19.56 1p4s n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p4s n GLY 56 N -0.95 0.99 7.00 0.00 0.00 -1.02 -4.55 105.19 106.66 1p4s n GLY 56 Ca -0.07 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1p4s n GLY 56 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1p4s n ASP 57 N -0.54 0.00 -4.74 1.61 2.03 -1.25 -4.52 116.55 109.14 1p4s n ASP 57 Ca -0.06 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.92 1p4s n ASP 57 Cb 0.81 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 41.14 1p4s n ASP 57 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 1p4s s LEU 58 N 0.00 3.74 -0.01 -2.67 0.05 -1.26 -4.72 118.68 113.80 1p4s s LEU 58 Ca 0.00 0.10 0.04 0.00 0.05 0.00 0.00 54.13 54.32 1p4s s LEU 58 Cb 0.00 -2.12 -0.01 0.00 -2.05 0.00 0.00 46.19 42.01 1p4s s LEU 58 CO 0.00 0.29 -0.13 0.54 -0.55 0.00 0.00 176.35 176.50 1p4s s VAL 59 N -1.11 1.05 0.29 1.48 0.11 -1.26 -4.91 120.40 116.05 1p4s s VAL 59 Ca 0.20 -0.59 -0.30 0.00 -2.93 0.00 0.00 61.98 58.37 1p4s s VAL 59 Cb -0.12 -0.88 -0.13 0.00 -1.53 0.00 0.00 36.38 33.72 1p4s s VAL 59 CO 0.11 0.28 1.39 -2.65 -3.33 0.00 0.00 175.10 170.90 1p4s n PRO 60 N 2.71 2.17 -0.03 1.54 -0.02 -1.26 -4.92 135.00 135.19 1p4s n PRO 60 Ca -0.14 0.77 -0.14 0.00 -2.02 0.00 0.00 63.50 61.97 1p4s n PRO 60 Cb 0.55 -2.41 -0.10 0.00 -0.02 0.00 0.00 33.50 31.52 1p4s n PRO 60 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1p4s h SER 61 N 3.61 0.14 -0.74 2.55 4.64 -1.96 -3.32 113.55 118.47 1p4s h SER 61 Ca -0.46 -0.62 -0.03 0.00 -0.47 0.00 0.00 61.79 60.22 1p4s h SER 61 Cb 1.27 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 63.29 1p4s h SER 61 CO 0.71 0.73 0.35 0.44 -0.87 0.00 0.00 176.83 178.18 1p4s h ASP 62 N -0.45 0.98 -0.23 4.97 3.32 -1.99 -2.59 116.42 120.43 1p4s h ASP 62 Ca -0.00 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 56.94 1p4s h ASP 62 Cb 0.72 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1p4s h ASP 62 CO 0.02 0.84 0.11 -0.07 -1.72 0.00 0.00 179.24 178.42 1p4s h LEU 63 N 1.07 0.15 -0.17 1.55 3.38 -2.00 -1.75 115.31 117.54 1p4s h LEU 63 Ca 0.26 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 1p4s h LEU 63 Cb 0.13 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1p4s h LEU 63 CO -0.03 0.12 0.10 0.74 0.09 0.00 0.00 178.44 179.46 1p4s h THR 64 N 0.23 1.09 0.00 0.22 2.02 -1.64 -1.82 112.91 113.01 1p4s h THR 64 Ca 0.10 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 1p4s h THR 64 Cb 0.03 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1p4s h THR 64 CO -0.07 0.09 -0.05 0.78 0.37 0.00 0.00 175.52 176.63 1p4s h ASN 65 N 0.18 0.00 -0.13 4.18 2.35 -1.50 -2.57 115.58 118.10 1p4s h ASN 65 Ca 0.06 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.66 1p4s h ASN 65 Cb 0.05 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.43 1p4s h ASN 65 CO -0.01 0.05 -0.52 -0.33 -1.65 0.00 0.00 177.43 174.97 1p4s h GLU 66 N 0.00 0.58 -0.26 0.81 5.08 -0.92 -2.15 114.58 117.73 1p4s h GLU 66 Ca -0.00 -0.45 -0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1p4s h GLU 66 Cb 0.30 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1p4s h GLU 66 CO 0.01 1.07 0.15 -0.07 -1.00 0.00 0.00 179.01 179.17 1p4s h LEU 67 N 0.21 0.31 -0.14 1.33 3.38 -1.32 -1.05 115.31 118.03 1p4s h LEU 67 Ca -0.03 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 57.90 1p4s h LEU 67 Cb 1.15 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 1p4s h LEU 67 CO 0.11 0.30 -0.02 1.62 0.09 0.00 0.00 178.44 180.53 1p4s h VAL 68 N 0.31 0.87 -0.74 1.22 3.04 -1.58 -2.63 116.25 116.74 1p4s h VAL 68 Ca 0.09 -0.01 -0.00 0.00 -1.01 0.00 0.00 66.70 65.77 1p4s h VAL 68 Cb 0.05 0.85 -0.04 0.00 -2.01 0.00 0.00 31.29 30.14 1p4s h VAL 68 CO -0.02 0.00 0.45 -0.78 -1.01 0.00 0.00 177.57 176.21 1p4s h ASP 69 N 0.02 0.88 -0.69 3.17 3.58 -1.43 -1.29 116.42 120.66 1p4s h ASP 69 Ca 0.07 -0.05 0.06 0.00 0.42 0.00 0.00 57.03 57.53 1p4s h ASP 69 Cb 0.10 -0.22 -0.06 0.00 1.72 0.00 0.00 39.33 40.87 1p4s h ASP 69 CO -0.14 0.68 0.39 -0.78 -2.88 0.00 0.00 179.24 176.51 1p4s h ASP 70 N 1.02 0.59 0.97 2.28 3.58 -1.02 -1.65 116.42 122.18 1p4s h ASP 70 Ca 0.27 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.74 1p4s h ASP 70 Cb -0.04 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 40.92 1p4s h ASP 70 CO -0.05 0.38 -0.07 0.54 -2.88 0.00 0.00 179.24 177.16 1p4s n ARG 71 N -4.77 0.02 0.00 0.28 1.74 -1.01 -4.01 116.66 108.92 1p4s n ARG 71 Ca 0.09 0.02 0.11 0.00 -0.77 0.00 0.00 57.85 57.30 1p4s n ARG 71 Cb 0.17 -1.52 0.12 0.00 -1.02 0.00 0.00 32.46 30.21 1p4s n ARG 71 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1p4s n LEU 72 N -1.56 0.90 0.00 0.55 4.77 -0.50 -4.47 117.00 116.69 1p4s n LEU 72 Ca 0.07 -0.28 0.01 0.00 -0.03 0.00 0.00 56.01 55.78 1p4s n LEU 72 Cb 0.35 -0.12 0.06 0.00 -2.33 0.00 0.00 43.42 41.37 1p4s n LEU 72 CO 0.28 0.20 0.22 0.59 -1.33 0.00 0.00 177.39 177.36 1p4s n ASN 73 N -1.22 0.00 -4.77 -1.43 3.02 -0.65 -4.38 115.26 105.83 1p4s n ASN 73 Ca 0.06 -0.55 -0.38 0.00 -0.03 0.00 0.00 54.58 53.68 1p4s n ASN 73 Cb 0.35 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.49 1p4s n ASN 73 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1p4s s ASN 74 N -1.76 6.66 0.56 6.41 3.84 -1.26 -4.99 114.94 124.40 1p4s s ASN 74 Ca 0.03 2.30 0.26 0.00 0.21 0.00 0.00 52.86 55.66 1p4s s ASN 74 Cb 0.01 -2.61 1.52 0.00 -0.55 0.00 0.00 41.25 39.62 1p4s s ASN 74 CO 0.02 -0.58 2.07 1.55 -2.79 0.00 0.00 177.10 177.38 1p4s h PRO 75 N 2.78 0.00 0.00 0.43 0.13 -2.00 -2.16 132.00 131.18 1p4s h PRO 75 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1p4s h PRO 75 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1p4s h PRO 75 CO 0.63 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.93 1p4s n ASP 76 N -4.08 0.53 0.26 1.44 -0.08 -1.26 -2.79 116.55 110.57 1p4s n ASP 76 Ca 0.03 0.70 0.15 0.00 -1.51 0.00 0.00 54.79 54.17 1p4s n ASP 76 Cb 0.37 -0.79 0.55 0.00 2.34 0.00 0.00 41.12 43.60 1p4s n ASP 76 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1p4s h ALA 77 N 2.11 1.00 -0.76 -1.67 0.00 -1.55 -3.18 119.26 115.21 1p4s h ALA 77 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1p4s h ALA 77 Cb 0.13 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1p4s h ALA 77 CO 0.00 0.03 0.40 0.00 0.00 0.00 0.00 179.25 179.68 1p4s h ALA 78 N 1.98 1.27 -0.00 0.00 0.00 -1.74 -3.16 119.26 117.60 1p4s h ALA 78 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1p4s h ALA 78 Cb 0.64 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1p4s h ALA 78 CO 0.00 0.58 -0.22 0.27 0.00 0.00 0.00 179.25 179.89 1p4s n ASN 79 N -4.34 0.49 0.00 0.00 0.23 -1.23 -4.89 115.26 105.51 1p4s n ASN 79 Ca 0.08 -0.36 0.00 0.00 -0.53 0.00 0.00 54.58 53.77 1p4s n ASN 79 Cb 0.11 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 37.78 1p4s n ASN 79 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1p4s n GLY 80 N 1.38 -1.80 0.00 4.83 0.00 -1.20 -1.89 105.19 106.52 1p4s n GLY 80 Ca 0.10 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1p4s n GLY 80 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1p4s n PHE 81 N 0.27 0.00 -3.76 1.61 1.16 -1.26 -4.16 117.46 111.32 1p4s n PHE 81 Ca 0.00 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.20 1p4s n PHE 81 Cb 0.00 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 37.75 1p4s n PHE 81 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 1p4s s ILE 82 N -1.20 3.70 -0.22 1.97 1.01 -1.26 -1.49 121.20 123.71 1p4s s ILE 82 Ca 0.00 -1.25 -0.04 0.00 0.00 0.00 0.00 60.65 59.36 1p4s s ILE 82 Cb 0.00 -3.15 -0.01 0.00 0.01 0.00 0.00 42.46 39.31 1p4s s ILE 82 CO 0.00 -0.24 -0.02 -0.76 0.00 0.00 0.00 174.94 173.92 1p4s s LEU 83 N 1.37 3.01 -0.16 2.97 1.43 -0.88 -1.27 118.68 125.16 1p4s s LEU 83 Ca -0.01 -0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 52.72 1p4s s LEU 83 Cb -0.20 -1.77 -0.02 0.00 0.03 0.00 0.00 46.19 44.23 1p4s s LEU 83 CO 0.02 -0.01 -0.07 -0.62 0.23 0.00 0.00 176.35 175.89 1p4s s ASP 84 N 1.44 4.41 -0.39 2.29 2.15 -0.83 -1.42 116.67 124.32 1p4s s ASP 84 Ca 0.05 -0.25 -0.01 0.00 0.43 0.00 0.00 52.55 52.77 1p4s s ASP 84 Cb -0.14 -1.71 0.00 0.00 -0.30 0.00 0.00 42.92 40.77 1p4s s ASP 84 CO -0.02 0.13 0.13 0.61 -0.17 0.00 0.00 175.17 175.86 1p4s n GLY 85 N 3.76 0.35 0.06 2.66 0.00 -0.92 -2.87 105.19 108.22 1p4s n GLY 85 Ca -0.18 -0.57 -0.04 0.00 0.00 0.00 0.00 46.02 45.22 1p4s n GLY 85 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1p4s n TYR 86 N -3.61 0.47 -0.22 1.61 4.19 -1.26 -4.57 117.16 113.77 1p4s n TYR 86 Ca -0.03 0.20 -0.06 0.00 3.31 0.00 0.00 57.90 61.33 1p4s n TYR 86 Cb 0.53 -0.55 -0.01 0.00 0.49 0.00 0.00 39.34 39.80 1p4s n TYR 86 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 1p4s n PRO 87 N -3.98 0.57 0.00 2.98 -0.02 -1.26 -4.60 135.00 128.70 1p4s n PRO 87 Ca -0.07 -0.62 0.14 0.00 -2.02 0.00 0.00 63.50 60.93 1p4s n PRO 87 Cb 0.26 -1.98 0.72 0.00 -0.02 0.00 0.00 33.50 32.47 1p4s n PRO 87 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1p4s n ARG 88 N 4.19 0.45 -3.63 -0.52 -4.01 -1.26 -4.90 116.66 106.98 1p4s n ARG 88 Ca 0.12 0.02 -0.13 0.00 -1.04 0.00 0.00 57.85 56.82 1p4s n ARG 88 Cb 0.08 -1.50 -0.07 0.00 -3.04 0.00 0.00 32.46 27.93 1p4s n ARG 88 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 1p4s s SER 89 N -2.50 -0.71 0.32 2.89 0.15 -1.26 -4.62 113.70 107.97 1p4s s SER 89 Ca 0.28 1.36 0.01 0.00 0.70 0.00 0.00 55.95 58.31 1p4s s SER 89 Cb 0.19 1.38 0.56 0.00 -1.71 0.00 0.00 66.02 66.43 1p4s s SER 89 CO 0.41 -0.23 1.94 0.58 1.20 0.00 0.00 173.24 177.14 1p4s h VAL 90 N 3.95 1.10 -0.05 4.45 2.07 -1.91 -2.16 116.25 123.70 1p4s h VAL 90 Ca -0.29 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 1p4s h VAL 90 Cb 1.16 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1p4s h VAL 90 CO 0.06 0.18 -0.25 -0.08 0.02 0.00 0.00 177.57 177.50 1p4s h GLU 91 N 0.98 0.09 0.13 1.57 4.22 -1.98 -2.21 114.58 117.39 1p4s h GLU 91 Ca 0.34 -0.03 -0.18 0.00 0.08 0.00 0.00 59.36 59.57 1p4s h GLU 91 Cb 0.10 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.36 1p4s h GLU 91 CO -0.11 0.34 -0.81 1.96 -2.18 0.00 0.00 179.01 178.21 1p4s h GLN 92 N 0.09 0.28 -0.55 1.92 1.08 -1.88 -3.41 115.11 112.64 1p4s h GLN 92 Ca 0.01 -0.48 0.03 0.00 -1.45 0.00 0.00 58.65 56.76 1p4s h GLN 92 Cb 0.50 0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 28.07 1p4s h GLN 92 CO 0.04 1.23 0.36 0.00 -0.95 0.00 0.00 178.83 179.51 1p4s h ALA 93 N 0.07 1.70 -0.19 3.87 0.00 -1.37 -2.71 119.26 120.63 1p4s h ALA 93 Ca -0.15 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.77 1p4s h ALA 93 Cb 1.62 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1p4s h ALA 93 CO 0.14 0.25 0.13 -0.22 0.00 0.00 0.00 179.25 179.55 1p4s h LYS 94 N 0.66 0.08 -0.23 0.00 3.64 -1.63 -1.12 116.57 117.97 1p4s h LYS 94 Ca 0.21 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.48 1p4s h LYS 94 Cb 0.05 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1p4s h LYS 94 CO -0.05 0.05 -0.31 0.00 -2.27 0.00 0.00 179.45 176.87 1p4s h ALA 95 N 1.90 0.34 -0.29 5.00 0.00 -1.72 -2.42 119.26 122.07 1p4s h ALA 95 Ca 0.08 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 1p4s h ALA 95 Cb 0.24 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1p4s h ALA 95 CO -0.01 0.37 -0.27 1.25 0.00 0.00 0.00 179.25 180.59 1p4s h LEU 96 N 0.30 0.60 0.34 0.00 5.85 -1.56 -1.90 115.31 118.94 1p4s h LEU 96 Ca 0.03 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1p4s h LEU 96 Cb 0.88 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1p4s h LEU 96 CO 0.07 0.85 -0.22 -0.74 -0.34 0.00 0.00 178.44 178.06 1p4s h HIS 97 N 0.51 -0.59 -1.03 1.25 2.76 -1.30 -1.77 115.15 114.98 1p4s h HIS 97 Ca 0.07 -0.00 0.28 0.00 -2.20 0.00 0.00 60.37 58.51 1p4s h HIS 97 Cb 0.74 0.21 -0.06 0.00 1.55 0.00 0.00 27.41 29.84 1p4s h HIS 97 CO 0.03 -0.34 0.71 1.49 -1.30 0.00 0.00 177.93 178.52 1p4s h GLU 98 N -0.55 0.18 0.20 5.26 4.81 -1.46 -2.32 114.58 120.70 1p4s h GLU 98 Ca -0.03 -0.01 -0.34 0.00 -0.13 0.00 0.00 59.36 58.85 1p4s h GLU 98 Cb 0.46 -0.04 0.02 0.00 0.63 0.00 0.00 28.75 29.82 1p4s h GLU 98 CO 0.02 0.12 -1.62 1.98 -0.73 0.00 0.00 179.01 178.78 1p4s h MET 99 N 0.18 0.42 -0.11 1.92 4.05 -1.09 -1.16 114.93 119.14 1p4s h MET 99 Ca 0.53 -0.71 -0.10 0.00 -0.28 0.00 0.00 59.70 59.14 1p4s h MET 99 Cb 1.74 0.27 0.00 0.00 -0.80 0.00 0.00 31.60 32.81 1p4s h MET 99 CO -0.13 1.34 -0.31 1.25 0.23 0.00 0.00 176.91 179.29 1p4s h LEU 100 N 0.06 0.47 0.01 3.39 5.85 -1.34 -1.20 115.31 122.54 1p4s h LEU 100 Ca -0.31 -0.59 -0.02 0.00 0.84 0.00 0.00 57.88 57.79 1p4s h LEU 100 Cb 2.07 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.97 1p4s h LEU 100 CO 0.19 0.98 -0.10 -0.33 -0.34 0.00 0.00 178.44 178.84 1p4s h GLU 101 N -0.02 0.06 -0.26 1.25 4.39 -1.62 0.33 114.58 118.71 1p4s h GLU 101 Ca -0.01 -0.07 -0.10 0.00 0.34 0.00 0.00 59.36 59.52 1p4s h GLU 101 Cb 0.93 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.59 1p4s h GLU 101 CO 0.07 0.89 -0.24 -0.09 -1.16 0.00 0.00 179.01 178.48 1p4s h ARG 102 N -0.74 0.61 0.52 2.33 2.43 -1.36 -3.28 114.38 114.89 1p4s h ARG 102 Ca -0.01 -0.32 -0.03 0.00 -0.81 0.00 0.00 59.98 58.81 1p4s h ARG 102 Cb 0.93 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.49 1p4s h ARG 102 CO 0.02 0.91 -0.25 0.00 -1.51 0.00 0.00 179.97 179.14 1p4s h ARG 103 N 0.33 -0.67 0.00 0.20 3.08 -1.26 -3.49 114.38 112.57 1p4s h ARG 103 Ca 0.04 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1p4s h ARG 103 Cb 0.79 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.99 1p4s h ARG 103 CO 0.06 -0.38 0.00 0.41 -1.07 0.00 0.00 179.97 178.99 1p4s n GLY 104 N -0.85 0.78 3.88 0.04 0.00 -0.40 -5.04 105.19 103.61 1p4s n GLY 104 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 1p4s n GLY 104 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1p4s s THR 105 N -0.69 4.75 0.08 2.61 -4.23 -0.03 -5.01 115.64 113.12 1p4s s THR 105 Ca 0.00 0.64 -0.31 0.00 -1.18 0.00 0.00 61.69 60.84 1p4s s THR 105 Cb 0.00 -3.86 -0.07 0.00 1.34 0.00 0.00 72.50 69.91 1p4s s THR 105 CO 0.00 -1.04 1.41 -1.81 -0.54 0.00 0.00 174.62 172.64 1p4s s ASP 106 N -4.16 6.82 -0.78 3.99 1.01 -1.26 -4.74 116.67 117.55 1p4s s ASP 106 Ca 0.52 2.26 -0.17 0.00 0.71 0.00 0.00 52.55 55.88 1p4s s ASP 106 Cb -0.11 -2.58 0.15 0.00 1.01 0.00 0.00 42.92 41.39 1p4s s ASP 106 CO 0.51 -0.69 0.87 -0.51 0.21 0.00 0.00 175.17 175.56 1p4s s ILE 107 N 1.61 5.03 0.00 0.77 1.10 -1.26 -4.45 121.20 124.00 1p4s s ILE 107 Ca 0.65 -1.65 0.00 0.00 -0.51 0.00 0.00 60.65 59.14 1p4s s ILE 107 Cb -0.35 -4.58 0.00 0.00 0.15 0.00 0.00 42.46 37.68 1p4s s ILE 107 CO 0.29 -1.23 0.00 -0.67 -2.11 0.00 0.00 174.94 171.22 1p4s n ASP 108 N 5.68 0.00 -3.71 4.50 -0.08 -1.26 -5.02 116.55 116.67 1p4s n ASP 108 Ca 0.09 0.04 -0.11 0.00 -1.51 0.00 0.00 54.79 53.29 1p4s n ASP 108 Cb 0.46 -0.45 -0.10 0.00 2.34 0.00 0.00 41.12 43.36 1p4s n ASP 108 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1p4s s ALA 109 N -3.18 -1.07 -0.23 -1.67 0.00 -1.10 -5.05 121.76 109.46 1p4s s ALA 109 Ca 0.00 1.42 -0.18 0.00 0.00 0.00 0.00 51.96 53.20 1p4s s ALA 109 Cb 0.00 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 1p4s s ALA 109 CO 0.00 -0.24 0.50 0.08 0.00 0.00 0.00 175.76 176.10 1p4s s VAL 110 N 0.94 5.10 -0.42 0.00 1.01 -1.26 -1.78 120.40 123.99 1p4s s VAL 110 Ca -0.06 0.89 -0.17 0.00 0.00 0.00 0.00 61.98 62.64 1p4s s VAL 110 Cb -0.06 -3.82 0.02 0.00 0.00 0.00 0.00 36.38 32.52 1p4s s VAL 110 CO -0.08 0.14 0.43 -0.76 0.00 0.00 0.00 175.10 174.83 1p4s s LEU 111 N 1.96 4.89 -0.35 3.92 1.43 0.25 -1.13 118.68 129.64 1p4s s LEU 111 Ca 0.22 -0.70 -0.12 0.00 -1.03 0.00 0.00 54.13 52.50 1p4s s LEU 111 Cb -0.15 -2.37 -0.00 0.00 0.03 0.00 0.00 46.19 43.69 1p4s s LEU 111 CO 0.09 -0.58 0.23 -0.70 0.23 0.00 0.00 176.35 175.62 1p4s s GLU 112 N 2.11 3.28 -0.36 1.70 -6.30 -1.08 -0.50 118.70 117.55 1p4s s GLU 112 Ca 0.12 -0.79 -0.24 0.00 -2.50 0.00 0.00 54.97 51.56 1p4s s GLU 112 Cb -0.17 -3.78 0.01 0.00 0.00 0.00 0.00 34.13 30.19 1p4s s GLU 112 CO 0.13 -0.53 0.84 -0.06 0.02 0.00 0.00 175.26 175.66 1p4s s PHE 113 N 1.67 3.11 -0.36 5.30 0.08 -0.70 -1.15 117.98 125.93 1p4s s PHE 113 Ca 0.05 0.66 -0.09 0.00 0.12 0.00 0.00 56.93 57.67 1p4s s PHE 113 Cb -0.18 -3.48 0.03 0.00 -0.57 0.00 0.00 43.02 38.82 1p4s s PHE 113 CO 0.09 -0.75 0.17 0.50 -0.10 0.00 0.00 175.22 175.13 1p4s s ARG 114 N 3.23 2.77 -0.29 0.44 3.52 -0.67 -4.00 118.95 123.94 1p4s s ARG 114 Ca 0.34 -1.11 -0.28 0.00 -0.13 0.00 0.00 55.73 54.56 1p4s s ARG 114 Cb -0.13 -3.64 0.19 0.00 -1.56 0.00 0.00 34.95 29.82 1p4s s ARG 114 CO 0.17 -0.68 1.40 0.08 -0.81 0.00 0.00 175.30 175.46 1p4s s VAL 115 N 1.50 0.00 0.00 7.11 1.01 -1.26 -1.95 120.40 126.81 1p4s s VAL 115 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1p4s s VAL 115 Cb -0.19 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.19 1p4s s VAL 115 CO 0.05 0.00 0.00 -1.20 0.00 0.00 0.00 175.10 173.95 1p4s n SER 116 N 0.89 0.00 0.00 3.32 7.64 -1.26 -4.74 113.62 119.48 1p4s n SER 116 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1p4s n SER 116 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 1p4s n SER 116 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1p4s n GLU 117 N 0.00 0.00 0.15 1.43 1.02 -1.26 -4.82 120.64 117.16 1p4s n GLU 117 Ca 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.18 1p4s n GLU 117 Cb 0.00 -0.13 0.45 0.00 -0.02 0.00 0.00 31.44 31.74 1p4s n GLU 117 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1p4s h GLU 118 N 0.00 0.17 -0.33 3.49 4.81 -1.90 -2.94 114.58 117.88 1p4s h GLU 118 Ca 0.00 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.27 1p4s h GLU 118 Cb 0.00 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.28 1p4s h GLU 118 CO 0.00 0.28 -0.12 0.28 -0.73 0.00 0.00 179.01 178.72 1p4s h VAL 119 N 0.17 0.59 -0.61 0.32 2.07 -1.93 0.07 116.25 116.92 1p4s h VAL 119 Ca 0.04 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.48 1p4s h VAL 119 Cb 0.29 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1p4s h VAL 119 CO 0.02 0.00 0.09 0.25 0.02 0.00 0.00 177.57 177.95 1p4s h LEU 120 N -0.06 0.95 -1.58 2.57 5.85 -1.88 -2.74 115.31 118.42 1p4s h LEU 120 Ca 0.16 -0.22 0.06 0.00 0.84 0.00 0.00 57.88 58.72 1p4s h LEU 120 Cb 0.31 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1p4s h LEU 120 CO -0.37 0.95 0.37 -0.07 -0.34 0.00 0.00 178.44 178.98 1p4s h LEU 121 N 0.94 0.45 -0.02 2.25 3.38 -1.24 -1.97 115.31 119.10 1p4s h LEU 121 Ca 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1p4s h LEU 121 Cb 0.42 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1p4s h LEU 121 CO 0.01 0.30 0.01 -0.33 0.09 0.00 0.00 178.44 178.51 1p4s h GLU 122 N 0.52 0.03 -0.21 1.13 5.08 -0.89 -1.63 114.58 118.60 1p4s h GLU 122 Ca 0.24 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.65 1p4s h GLU 122 Cb 0.28 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.46 1p4s h GLU 122 CO -0.07 0.21 -0.25 -0.09 -1.00 0.00 0.00 179.01 177.81 1p4s h ARG 123 N -0.16 -0.26 -0.54 2.33 9.65 -1.30 -2.23 114.38 121.86 1p4s h ARG 123 Ca 0.01 0.02 0.06 0.00 -1.10 0.00 0.00 59.98 58.96 1p4s h ARG 123 Cb 0.19 0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 28.78 1p4s h ARG 123 CO -0.00 -0.18 0.25 -0.07 2.80 0.00 0.00 179.97 182.78 1p4s h LEU 124 N -0.27 0.34 -0.55 3.80 3.38 -1.44 -3.25 115.31 117.33 1p4s h LEU 124 Ca 0.13 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1p4s h LEU 124 Cb 0.47 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1p4s h LEU 124 CO -0.37 0.23 0.33 0.50 0.09 0.00 0.00 178.44 179.21 1p4s h LYS 125 N 0.49 0.74 -2.31 1.13 3.64 -1.18 -2.80 116.57 116.27 1p4s h LYS 125 Ca 0.25 -0.07 -0.75 0.00 -1.27 0.00 0.00 60.65 58.80 1p4s h LYS 125 Cb 0.19 -0.15 -0.21 0.00 -0.41 0.00 0.00 32.23 31.64 1p4s h LYS 125 CO -0.19 0.54 1.43 0.41 -2.27 0.00 0.00 179.45 179.37 1p4s n GLY 126 N -1.12 5.59 0.55 5.01 0.00 -0.85 -4.85 105.19 109.52 1p4s n GLY 126 Ca 0.03 -2.33 0.00 0.00 0.00 0.00 0.00 46.02 43.72 1p4s n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p4s n ARG 127 N 0.55 0.00 -0.10 1.61 1.74 -1.21 -4.94 116.66 114.31 1p4s n ARG 127 Ca 0.53 0.18 -0.13 0.00 -0.77 0.00 0.00 57.85 57.66 1p4s n ARG 127 Cb 0.28 -0.36 -0.05 0.00 -1.02 0.00 0.00 32.46 31.31 1p4s n ARG 127 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1p4s n GLY 128 N 0.10 -0.64 0.00 -0.13 0.00 -1.06 -4.56 105.19 98.90 1p4s n GLY 128 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1p4s n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p4s n ARG 129 N -4.45 0.00 -3.06 1.61 1.74 -1.26 -4.96 116.66 106.28 1p4s n ARG 129 Ca -0.22 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.70 1p4s n ARG 129 Cb 0.55 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.99 1p4s n ARG 129 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1p4s n ALA 130 N -3.00 1.22 -0.73 7.54 0.00 -1.26 -4.99 120.51 119.30 1p4s n ALA 130 Ca 0.00 -2.83 0.00 0.00 0.00 0.00 0.00 53.44 50.61 1p4s n ALA 130 Cb 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1p4s n ALA 130 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1p4s n ASP 131 N 0.58 -1.26 -3.61 0.00 8.00 -1.26 -4.87 116.55 114.13 1p4s n ASP 131 Ca 0.19 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.28 1p4s n ASP 131 Cb 0.64 -2.02 0.00 0.00 -0.02 0.00 0.00 41.12 39.72 1p4s n ASP 131 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1p4s n ASP 132 N -0.18 7.25 0.00 -2.24 -0.08 -1.26 -4.77 116.55 115.28 1p4s n ASP 132 Ca 0.00 -3.23 0.00 0.00 -1.51 0.00 0.00 54.79 50.05 1p4s n ASP 132 Cb 0.09 -1.35 0.00 0.00 2.34 0.00 0.00 41.12 42.20 1p4s n ASP 132 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1p4s n THR 133 N 1.77 0.00 -0.32 5.18 -2.24 -1.26 -4.86 114.28 112.55 1p4s n THR 133 Ca 0.53 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 62.39 1p4s n THR 133 Cb 0.28 0.00 0.24 0.00 -2.10 0.00 0.00 70.33 68.74 1p4s n THR 133 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1p4s h ASP 134 N 0.00 0.71 -0.52 3.42 3.32 -1.98 -0.87 116.42 120.50 1p4s h ASP 134 Ca 0.00 0.07 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 1p4s h ASP 134 Cb 0.00 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1p4s h ASP 134 CO 0.00 0.34 -0.15 -0.78 -1.72 0.00 0.00 179.24 176.92 1p4s h ASP 135 N 0.78 1.04 0.08 6.45 3.58 -1.95 -1.96 116.42 124.44 1p4s h ASP 135 Ca 0.48 -0.37 -0.04 0.00 0.42 0.00 0.00 57.03 57.52 1p4s h ASP 135 Cb 0.60 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 1p4s h ASP 135 CO -0.32 1.17 -0.14 0.58 -2.88 0.00 0.00 179.24 177.65 1p4s h VAL 136 N 0.90 1.15 -0.23 2.25 2.07 -1.74 -2.20 116.25 118.45 1p4s h VAL 136 Ca 0.13 -0.69 -0.18 0.00 0.82 0.00 0.00 66.70 66.78 1p4s h VAL 136 Cb 0.73 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1p4s h VAL 136 CO 0.06 0.21 -0.58 0.40 0.02 0.00 0.00 177.57 177.67 1p4s h ILE 137 N 0.13 1.30 0.07 4.57 5.03 -1.11 -0.62 117.51 126.88 1p4s h ILE 137 Ca 0.03 -1.80 -0.00 0.00 -0.12 0.00 0.00 64.86 62.96 1p4s h ILE 137 Cb 0.33 1.74 0.00 0.00 -3.03 0.00 0.00 36.82 35.86 1p4s h ILE 137 CO 0.02 0.57 -0.03 -0.07 -0.68 0.00 0.00 178.15 177.96 1p4s h LEU 138 N 0.56 -0.08 -1.62 1.44 3.38 -1.21 -2.13 115.31 115.65 1p4s h LEU 138 Ca 0.00 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 1p4s h LEU 138 Cb 1.17 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1p4s h LEU 138 CO 0.12 0.16 -0.21 -1.13 0.09 0.00 0.00 178.44 177.47 1p4s h ASN 139 N -0.32 0.00 -0.45 -0.43 -0.73 -1.54 -2.68 115.58 109.43 1p4s h ASN 139 Ca -0.01 0.00 0.08 0.00 1.87 0.00 0.00 56.30 58.24 1p4s h ASN 139 Cb 0.28 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 38.80 1p4s h ASN 139 CO 0.02 0.21 0.02 -0.09 -0.37 0.00 0.00 177.43 177.22 1p4s h ARG 140 N 0.00 0.13 -0.43 6.67 9.65 -1.02 -1.79 114.38 127.59 1p4s h ARG 140 Ca -0.00 -0.01 -0.05 0.00 -1.10 0.00 0.00 59.98 58.82 1p4s h ARG 140 Cb 0.44 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.97 1p4s h ARG 140 CO 0.03 0.09 0.07 0.52 2.80 0.00 0.00 179.97 183.48 1p4s h MET 141 N 0.14 0.66 -0.08 0.20 2.86 -1.19 -2.40 114.93 115.12 1p4s h MET 141 Ca 0.22 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1p4s h MET 141 Cb 0.32 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 1p4s h MET 141 CO -0.35 0.62 0.05 0.87 1.06 0.00 0.00 176.91 179.16 1p4s h LYS 142 N 0.64 0.10 -0.63 1.72 1.57 -1.17 -1.87 116.57 116.92 1p4s h LYS 142 Ca 0.14 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.85 1p4s h LYS 142 Cb 0.29 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 1p4s h LYS 142 CO 0.00 0.11 0.14 -0.24 -0.57 0.00 0.00 179.45 178.88 1p4s h VAL 143 N 0.07 1.25 -0.38 0.50 3.04 -1.37 -2.81 116.25 116.55 1p4s h VAL 143 Ca 0.03 -0.94 0.06 0.00 -1.01 0.00 0.00 66.70 64.84 1p4s h VAL 143 Cb 0.03 0.62 -0.06 0.00 -2.01 0.00 0.00 31.29 29.87 1p4s h VAL 143 CO -0.01 0.35 0.04 0.22 -1.01 0.00 0.00 177.57 177.17 1p4s h TYR 144 N 0.96 0.06 -0.68 3.17 5.03 -1.47 -3.16 116.97 120.87 1p4s h TYR 144 Ca 0.20 0.03 0.10 0.00 2.58 0.00 0.00 58.73 61.63 1p4s h TYR 144 Cb 0.37 0.03 -0.04 0.00 1.55 0.00 0.00 36.73 38.63 1p4s h TYR 144 CO 0.03 -0.03 0.45 -0.09 -1.32 0.00 0.00 178.16 177.20 1p4s h ARG 145 N 0.15 0.52 -0.45 1.82 2.43 -1.16 -2.53 114.38 115.16 1p4s h ARG 145 Ca 0.18 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.35 1p4s h ARG 145 Cb 0.24 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 1p4s h ARG 145 CO -0.27 0.34 0.26 -0.44 -1.51 0.00 0.00 179.97 178.35 1p4s h ASP 146 N 0.53 0.41 0.00 -3.80 3.32 -1.46 -3.43 116.42 112.00 1p4s h ASP 146 Ca 0.31 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1p4s h ASP 146 Cb 0.51 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1p4s h ASP 146 CO -0.10 0.30 0.00 -0.62 -1.72 0.00 0.00 179.24 177.09 1p4s n GLU 147 N -4.85 0.00 0.17 3.56 1.02 -1.22 -4.97 120.64 114.35 1p4s n GLU 147 Ca 0.02 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.18 1p4s n GLU 147 Cb 0.08 -0.23 0.29 0.00 -0.02 0.00 0.00 31.44 31.56 1p4s n GLU 147 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1p4s h THR 148 N 0.52 1.33 0.53 2.62 2.02 -1.71 -1.89 112.91 116.34 1p4s h THR 148 Ca 0.00 -1.56 -0.03 0.00 0.77 0.00 0.00 66.41 65.59 1p4s h THR 148 Cb 0.26 1.84 0.01 0.00 -1.74 0.00 0.00 68.15 68.52 1p4s h THR 148 CO 0.00 0.45 -0.26 0.00 0.37 0.00 0.00 175.52 176.08 1p4s h ALA 149 N 1.54 -0.72 -0.76 6.16 0.00 -1.91 -2.14 119.26 121.43 1p4s h ALA 149 Ca -0.00 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 54.90 1p4s h ALA 149 Cb 0.81 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 1p4s h ALA 149 CO 0.06 -0.81 0.52 -1.35 0.00 0.00 0.00 179.25 177.67 1p4s h PRO 150 N -0.91 0.25 0.35 0.00 0.11 -1.94 -2.39 132.00 127.48 1p4s h PRO 150 Ca -0.07 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.00 1p4s h PRO 150 Cb 0.62 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.67 1p4s h PRO 150 CO 0.12 0.17 -0.17 1.25 -0.21 0.00 0.00 178.00 179.16 1p4s h LEU 151 N 0.26 -0.39 -2.78 2.35 7.12 -1.34 -2.67 115.31 117.85 1p4s h LEU 151 Ca 0.38 -0.07 -0.00 0.00 0.13 0.00 0.00 57.88 58.32 1p4s h LEU 151 Cb 1.09 0.10 -0.00 0.00 -0.53 0.00 0.00 40.66 41.32 1p4s h LEU 151 CO -0.09 -0.17 -0.00 0.25 -0.13 0.00 0.00 178.44 178.30 1p4s h LEU 152 N -0.61 0.00 0.07 2.25 5.85 -1.21 -0.50 115.31 121.17 1p4s h LEU 152 Ca -0.05 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1p4s h LEU 152 Cb 0.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1p4s h LEU 152 CO 0.08 0.00 -0.03 -0.08 -0.34 0.00 0.00 178.44 178.07 1p4s h GLU 153 N 0.00 -0.09 0.48 1.25 4.81 -1.33 -0.28 114.58 119.42 1p4s h GLU 153 Ca -0.00 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1p4s h GLU 153 Cb 0.05 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1p4s h GLU 153 CO 0.00 0.42 -0.23 -0.92 -0.73 0.00 0.00 179.01 177.55 1p4s h TYR 154 N -0.66 -0.60 -0.04 0.92 5.03 -1.22 -2.96 116.97 117.43 1p4s h TYR 154 Ca -0.01 -0.01 -0.14 0.00 2.58 0.00 0.00 58.73 61.14 1p4s h TYR 154 Cb 0.55 0.20 -0.01 0.00 1.55 0.00 0.00 36.73 39.01 1p4s h TYR 154 CO 0.10 -0.31 -0.62 1.88 -1.32 0.00 0.00 178.16 177.90 1p4s h TYR 155 N -0.80 0.21 -0.53 -3.82 0.05 -1.29 -3.03 116.97 107.76 1p4s h TYR 155 Ca -0.07 -0.08 0.02 0.00 0.05 0.00 0.00 58.73 58.65 1p4s h TYR 155 Cb 0.56 -0.04 -0.03 0.00 1.01 0.00 0.00 36.73 38.24 1p4s h TYR 155 CO -0.01 0.73 0.35 -0.09 -1.05 0.00 0.00 178.16 178.10 1p4s h ARG 156 N 0.12 0.63 -0.46 4.88 2.43 -1.09 0.27 114.38 121.16 1p4s h ARG 156 Ca -0.01 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.03 1p4s h ARG 156 Cb 1.11 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.50 1p4s h ARG 156 CO 0.09 0.42 -0.09 0.22 -1.51 0.00 0.00 179.97 179.10 1p4s h ASP 157 N 0.65 0.80 0.22 -3.80 3.58 -1.48 -3.37 116.42 113.02 1p4s h ASP 157 Ca 0.21 -0.23 -0.35 0.00 0.42 0.00 0.00 57.03 57.07 1p4s h ASP 157 Cb 0.03 -0.22 0.02 0.00 1.72 0.00 0.00 39.33 40.88 1p4s h ASP 157 CO -0.05 0.92 -1.66 1.56 -2.88 0.00 0.00 179.24 177.13 1p4s h GLN 158 N 0.74 0.46 -7.77 0.28 4.20 -1.30 -3.51 115.11 108.21 1p4s h GLN 158 Ca 0.13 -0.78 -0.45 0.00 0.06 0.00 0.00 58.65 57.61 1p4s h GLN 158 Cb 0.57 0.29 0.16 0.00 0.30 0.00 0.00 27.48 28.81 1p4s h GLN 158 CO 0.04 1.37 0.39 -0.48 -0.67 0.00 0.00 178.83 179.48 1p4s s LEU 159 N -7.42 2.77 -0.28 1.46 0.05 0.89 -4.87 118.68 111.29 1p4s s LEU 159 Ca -0.13 0.11 0.01 0.00 0.05 0.00 0.00 54.13 54.16 1p4s s LEU 159 Cb 0.05 -2.11 0.16 0.00 -2.05 0.00 0.00 46.19 42.24 1p4s s LEU 159 CO 0.89 -2.75 0.45 -0.75 -0.55 0.00 0.00 176.35 173.64 1p4s s LYS 160 N -5.85 0.44 0.00 1.48 2.20 -0.29 -4.97 119.74 112.75 1p4s s LYS 160 Ca 0.75 0.41 0.00 0.00 -0.36 0.00 0.00 55.97 56.77 1p4s s LYS 160 Cb -0.03 -0.16 0.00 0.00 -1.51 0.00 0.00 37.83 36.13 1p4s s LYS 160 CO 0.53 -0.88 0.00 2.41 -0.36 0.00 0.00 175.35 177.04 1p4s n THR 161 N 5.38 0.00 -4.70 3.43 -1.04 -1.15 -2.64 114.28 113.55 1p4s n THR 161 Ca -0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 1p4s n THR 161 Cb 0.50 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.93 1p4s n THR 161 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1p4s s VAL 162 N 1.65 1.26 -0.32 12.58 1.01 -0.30 -4.82 120.40 131.45 1p4s s VAL 162 Ca 0.00 -2.00 -0.12 0.00 0.00 0.00 0.00 61.98 59.86 1p4s s VAL 162 Cb 0.00 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 1p4s s VAL 162 CO 0.00 0.00 0.21 -0.62 0.00 0.00 0.00 175.10 174.69 1p4s s ASP 163 N -3.80 5.90 0.00 3.32 2.15 -1.26 -1.68 116.67 121.30 1p4s s ASP 163 Ca 0.14 -0.40 0.00 0.00 0.43 0.00 0.00 52.55 52.72 1p4s s ASP 163 Cb 0.04 -2.09 0.00 0.00 -0.30 0.00 0.00 42.92 40.56 1p4s s ASP 163 CO 0.07 -0.20 0.00 0.00 -0.17 0.00 0.00 175.17 174.88 1p4s n ALA 164 N 5.06 0.00 -0.68 3.66 0.00 -0.82 -4.97 120.51 122.77 1p4s n ALA 164 Ca -0.13 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.20 1p4s n ALA 164 Cb 0.50 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.85 1p4s n ALA 164 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1p4s n VAL 165 N 0.00 0.00 -2.95 0.00 0.31 -1.26 -4.71 118.33 109.71 1p4s n VAL 165 Ca 0.00 -0.20 -0.34 0.00 -0.01 0.00 0.00 64.34 63.79 1p4s n VAL 165 Cb 0.00 -0.02 -0.02 0.00 -0.91 0.00 0.00 33.84 32.89 1p4s n VAL 165 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1p4s n GLY 166 N 2.53 5.55 3.92 2.92 0.00 -1.26 -4.96 105.19 113.89 1p4s n GLY 166 Ca 0.31 -2.70 -0.36 0.00 0.00 0.00 0.00 46.02 43.27 1p4s n GLY 166 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1p4s n THR 167 N 0.31 -3.26 0.00 2.61 -2.24 -1.26 -3.26 114.28 107.18 1p4s n THR 167 Ca 0.35 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1p4s n THR 167 Cb 0.34 -2.74 0.00 0.00 -2.10 0.00 0.00 70.33 65.83 1p4s n THR 167 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1p4s n MET 168 N -3.91 0.00 -0.06 -0.78 2.81 -1.26 -4.63 117.12 109.28 1p4s n MET 168 Ca -0.20 0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 55.54 1p4s n MET 168 Cb 0.62 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 33.07 1p4s n MET 168 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1p4s h ASP 169 N 0.00 0.82 0.22 7.83 3.32 -2.01 -2.69 116.42 123.92 1p4s h ASP 169 Ca 0.00 -0.56 -0.01 0.00 0.02 0.00 0.00 57.03 56.48 1p4s h ASP 169 Cb 0.00 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.31 1p4s h ASP 169 CO 0.00 1.24 -0.11 -0.33 -1.72 0.00 0.00 179.24 178.32 1p4s h GLU 170 N 0.45 -0.29 -0.95 3.56 5.08 -1.81 -2.91 114.58 117.71 1p4s h GLU 170 Ca -0.00 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.51 1p4s h GLU 170 Cb 1.12 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 30.36 1p4s h GLU 170 CO 0.11 -0.09 0.60 -0.39 -1.00 0.00 0.00 179.01 178.24 1p4s h VAL 171 N -0.44 0.86 -0.83 3.13 -1.51 -1.76 -1.90 116.25 113.79 1p4s h VAL 171 Ca -0.03 -0.28 -0.00 0.00 -1.23 0.00 0.00 66.70 65.15 1p4s h VAL 171 Cb 0.33 -0.04 -0.04 0.00 -2.13 0.00 0.00 31.29 29.41 1p4s h VAL 171 CO 0.05 0.15 0.51 0.15 -1.23 0.00 0.00 177.57 177.20 1p4s h PHE 172 N 0.83 1.09 0.40 5.19 3.57 -1.49 -2.01 116.94 124.52 1p4s h PHE 172 Ca 0.48 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.96 1p4s h PHE 172 Cb 0.63 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1p4s h PHE 172 CO -0.00 0.72 -0.19 0.00 -2.23 0.00 0.00 178.31 176.61 1p4s h ALA 173 N 1.41 -0.54 -0.66 2.41 0.00 -1.14 -2.44 119.26 118.30 1p4s h ALA 173 Ca 0.30 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1p4s h ALA 173 Cb -0.05 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1p4s h ALA 173 CO -0.06 -0.77 0.30 0.00 0.00 0.00 0.00 179.25 178.72 1p4s h ARG 174 N -0.59 0.95 -0.54 0.00 3.08 -1.57 -2.61 114.38 113.10 1p4s h ARG 174 Ca -0.05 -0.14 0.04 0.00 0.07 0.00 0.00 59.98 59.90 1p4s h ARG 174 Cb 0.44 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.28 1p4s h ARG 174 CO 0.09 0.75 0.29 0.00 -1.07 0.00 0.00 179.97 180.03 1p4s h ALA 175 N 1.38 0.69 -0.93 0.04 0.00 -1.41 -1.66 119.26 117.38 1p4s h ALA 175 Ca 0.23 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1p4s h ALA 175 Cb 0.13 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1p4s h ALA 175 CO -0.03 -0.03 0.61 1.25 0.00 0.00 0.00 179.25 181.05 1p4s h LEU 176 N 0.57 1.04 -0.67 0.00 6.46 -1.33 -2.55 115.31 118.83 1p4s h LEU 176 Ca 0.23 -0.02 -0.14 0.00 -0.12 0.00 0.00 57.88 57.83 1p4s h LEU 176 Cb 0.10 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.77 1p4s h LEU 176 CO -0.14 0.73 -0.59 0.03 -0.62 0.00 0.00 178.44 177.85 1p4s h ARG 177 N 1.22 0.24 -0.12 1.25 2.47 -1.35 0.21 114.38 118.30 1p4s h ARG 177 Ca 0.36 -0.16 -0.01 0.00 -1.26 0.00 0.00 59.98 58.90 1p4s h ARG 177 Cb -0.07 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.27 1p4s h ARG 177 CO -0.10 0.76 0.03 0.00 0.56 0.00 0.00 179.97 181.22 1p4s h ALA 178 N 1.20 0.15 -0.22 0.04 0.00 -1.27 -3.29 119.26 115.88 1p4s h ALA 178 Ca -0.00 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 1p4s h ALA 178 Cb 1.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1p4s h ALA 178 CO 0.09 -0.22 -0.41 1.25 0.00 0.00 0.00 179.25 179.97 1p4s h LEU 179 N -0.01 0.74 -0.29 0.00 5.85 -1.55 -3.50 115.31 116.55 1p4s h LEU 179 Ca 0.04 -0.54 0.00 0.00 0.84 0.00 0.00 57.88 58.21 1p4s h LEU 179 Cb 0.25 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.07 1p4s h LEU 179 CO 0.00 1.14 0.00 0.61 -0.34 0.00 0.00 178.44 179.85 1p4s n GLY 180 N 0.39 0.60 0.00 3.75 0.00 0.58 -4.99 105.19 105.52 1p4s n GLY 180 Ca -0.06 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1p4s n GLY 180 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49