#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pn0 s PRO 5 N 0.00 4.34 0.33 1.64 0.04 -1.26 -4.98 135.00 135.11 2pn0 s PRO 5 Ca 0.00 1.61 -0.29 0.00 0.04 0.00 0.00 61.00 62.36 2pn0 s PRO 5 Cb 0.00 -3.59 -0.10 0.00 0.04 0.00 0.00 34.50 30.85 2pn0 s PRO 5 CO 0.00 -0.47 1.29 0.15 0.04 0.00 0.00 177.00 178.01 2pn0 s LYS 6 N 2.40 4.36 0.00 4.56 1.02 -1.26 -5.10 119.74 125.73 2pn0 s LYS 6 Ca 0.54 2.18 0.00 0.00 0.02 0.00 0.00 55.97 58.71 2pn0 s LYS 6 Cb -0.23 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.02 2pn0 s LYS 6 CO 0.19 -0.17 0.00 0.44 -0.92 0.00 0.00 175.35 174.90 2pn0 n ILE 7 N 0.80 0.00 0.00 2.17 -5.35 -1.26 -4.78 119.36 110.94 2pn0 n ILE 7 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2pn0 n ILE 7 Cb 0.42 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.32 2pn0 n ILE 7 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 2pn0 n ILE 9 N 0.00 0.00 -1.78 7.28 -6.64 -0.87 -0.94 119.36 116.40 2pn0 n ILE 9 Ca 0.00 0.00 -0.31 0.00 -1.77 0.00 0.00 62.75 60.67 2pn0 n ILE 9 Cb 0.00 0.00 0.03 0.00 -1.44 0.00 0.00 39.64 38.23 2pn0 n ILE 9 CO 0.00 0.00 0.00 -0.94 -1.77 0.00 0.00 176.55 173.84 2pn0 s SER 10 N 0.00 5.81 0.20 7.28 1.04 -1.26 -0.92 113.70 125.86 2pn0 s SER 10 Ca 0.00 1.56 -0.10 0.00 0.48 0.00 0.00 55.95 57.89 2pn0 s SER 10 Cb 0.00 -2.49 0.22 0.00 0.10 0.00 0.00 66.02 63.85 2pn0 s SER 10 CO 0.00 -1.15 1.79 0.28 0.98 0.00 0.00 173.24 175.14 2pn0 h SER 11 N -0.35 0.44 0.03 7.02 0.02 -1.85 -1.05 113.55 117.81 2pn0 h SER 11 Ca -0.44 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 60.56 2pn0 h SER 11 Cb 1.20 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 2pn0 h SER 11 CO 0.59 0.28 -0.12 0.25 -1.14 0.00 0.00 176.83 176.69 2pn0 h LEU 12 N 0.58 -0.34 -0.77 5.07 5.85 -1.93 -1.43 115.31 122.33 2pn0 h LEU 12 Ca 0.28 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.95 2pn0 h LEU 12 Cb 0.21 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 2pn0 h LEU 12 CO -0.20 -0.17 -0.08 0.44 -0.34 0.00 0.00 178.44 178.09 2pn0 h ASP 13 N -0.22 0.84 -0.44 1.25 3.32 -1.88 -1.08 116.42 118.21 2pn0 h ASP 13 Ca 0.03 -0.24 0.04 0.00 0.02 0.00 0.00 57.03 56.88 2pn0 h ASP 13 Cb 0.26 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 2pn0 h ASP 13 CO -0.10 0.95 0.20 0.00 -1.72 0.00 0.00 179.24 178.57 2pn0 h ALA 14 N 1.13 0.54 0.12 3.45 0.00 -1.05 -0.03 119.26 123.44 2pn0 h ALA 14 Ca 0.13 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2pn0 h ALA 14 Cb 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2pn0 h ALA 14 CO 0.04 -0.17 -0.06 1.49 0.00 0.00 0.00 179.25 180.55 2pn0 h GLU 15 N 0.40 -0.16 -0.40 0.00 4.81 -1.06 -1.40 114.58 116.77 2pn0 h GLU 15 Ca 0.20 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 2pn0 h GLU 15 Cb 0.13 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 2pn0 h GLU 15 CO -0.16 0.10 0.25 0.00 -0.73 0.00 0.00 179.01 178.48 2pn0 h ARG 16 N -0.41 0.54 -0.87 1.92 3.08 -1.11 -1.72 114.38 115.80 2pn0 h ARG 16 Ca -0.02 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 2pn0 h ARG 16 Cb 0.33 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 2pn0 h ARG 16 CO 0.03 0.39 0.52 -0.07 -1.07 0.00 0.00 179.97 179.76 2pn0 h LEU 17 N 0.54 1.06 -0.39 3.04 3.38 -0.98 1.00 115.31 122.95 2pn0 h LEU 17 Ca 0.15 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2pn0 h LEU 17 Cb -0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 2pn0 h LEU 17 CO -0.03 0.82 0.25 -0.08 0.09 0.00 0.00 178.44 179.49 2pn0 h GLU 18 N 1.21 0.52 -0.53 1.13 4.81 -0.93 -0.31 114.58 120.48 2pn0 h GLU 18 Ca 0.31 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.39 2pn0 h GLU 18 Cb -0.04 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 2pn0 h GLU 18 CO -0.06 0.36 -0.15 0.82 -0.73 0.00 0.00 179.01 179.26 2pn0 h ILE 19 N 0.52 1.27 -0.39 2.32 2.04 -0.98 -1.17 117.51 121.13 2pn0 h ILE 19 Ca 0.14 -1.31 0.04 0.00 1.00 0.00 0.00 64.86 64.73 2pn0 h ILE 19 Cb -0.04 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 2pn0 h ILE 19 CO -0.03 0.46 0.15 0.25 0.00 0.00 0.00 178.15 178.98 2pn0 h LEU 20 N 0.90 0.18 -0.67 1.44 5.85 -0.47 0.43 115.31 122.97 2pn0 h LEU 20 Ca 0.13 0.04 -0.14 0.00 0.84 0.00 0.00 57.88 58.74 2pn0 h LEU 20 Cb 0.72 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 2pn0 h LEU 20 CO 0.06 0.14 -0.57 -0.07 -0.34 0.00 0.00 178.44 177.65 2pn0 h LEU 21 N 0.32 0.31 -0.64 2.25 3.38 -0.76 -1.72 115.31 118.46 2pn0 h LEU 21 Ca 0.17 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2pn0 h LEU 21 Cb 0.14 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2pn0 h LEU 21 CO -0.16 0.82 -0.43 -0.08 0.09 0.00 0.00 178.44 178.67 2pn0 h GLU 22 N 0.21 0.57 -0.52 1.13 4.57 -0.97 -2.98 114.58 116.58 2pn0 h GLU 22 Ca -0.00 -0.30 -0.11 0.00 -1.18 0.00 0.00 59.36 57.77 2pn0 h GLU 22 Cb 1.07 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.66 2pn0 h GLU 22 CO 0.09 0.89 -0.09 1.15 -1.18 0.00 0.00 179.01 179.87 2pn0 h THR 23 N 0.46 1.27 -0.47 0.32 2.02 -0.51 -2.78 112.91 113.22 2pn0 h THR 23 Ca 0.03 -1.24 -0.29 0.00 0.77 0.00 0.00 66.41 65.68 2pn0 h THR 23 Cb 0.94 0.99 -0.14 0.00 -1.74 0.00 0.00 68.15 68.21 2pn0 h THR 23 CO 0.08 0.44 0.37 0.18 0.37 0.00 0.00 175.52 176.96 2pn0 n LEU 24 N -4.19 5.83 0.19 2.58 4.77 -0.68 -4.76 117.00 120.74 2pn0 n LEU 24 Ca 0.01 -2.99 0.13 0.00 -0.03 0.00 0.00 56.01 53.13 2pn0 n LEU 24 Cb 0.39 -0.91 0.71 0.00 -2.33 0.00 0.00 43.42 41.28 2pn0 n LEU 24 CO 0.45 1.05 1.11 0.28 -1.33 0.00 0.00 177.39 178.96 2pn0 h SER 25 N 1.10 0.00 -0.32 -1.43 0.02 -1.33 0.12 113.55 111.70 2pn0 h SER 25 Ca 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 2pn0 h SER 25 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2pn0 h SER 25 CO 0.66 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 176.35 2pn0 n GLN 26 N -4.32 2.17 -2.97 3.45 1.13 -1.26 -4.81 117.38 110.76 2pn0 n GLN 26 Ca 0.01 -1.77 -0.44 0.00 -1.94 0.00 0.00 57.00 52.86 2pn0 n GLN 26 Cb 0.25 -1.45 -0.04 0.00 0.11 0.00 0.00 30.24 29.10 2pn0 n GLN 26 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2pn0 s ASN 27 N -1.46 6.24 -1.30 1.08 -0.87 0.40 -4.96 114.94 114.08 2pn0 s ASN 27 Ca 0.36 -1.32 -0.14 0.00 -1.57 0.00 0.00 52.86 50.18 2pn0 s ASN 27 Cb 0.20 -2.37 0.11 0.00 -0.02 0.00 0.00 41.25 39.18 2pn0 s ASN 27 CO 0.28 -1.26 1.77 0.00 -2.57 0.00 0.00 177.10 175.32 2pn0 n ALA 28 N 6.97 4.36 -2.02 0.60 0.00 -1.26 -4.98 120.51 124.18 2pn0 n ALA 28 Ca -0.03 -4.06 -0.31 0.00 0.00 0.00 0.00 53.44 49.04 2pn0 n ALA 28 Cb 0.45 -3.31 -0.03 0.00 0.00 0.00 0.00 19.45 16.55 2pn0 n ALA 28 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2pn0 s PHE 29 N 2.52 3.47 0.26 0.00 -0.12 -1.26 -4.97 117.98 117.89 2pn0 s PHE 29 Ca 0.47 1.24 -0.30 0.00 -0.05 0.00 0.00 56.93 58.29 2pn0 s PHE 29 Cb 0.05 -2.61 -0.11 0.00 -0.63 0.00 0.00 43.02 39.72 2pn0 s PHE 29 CO 0.01 -0.26 1.57 -1.25 -0.05 0.00 0.00 175.22 175.24 2pn0 s PRO 30 N -4.03 4.16 0.00 1.99 0.04 -1.26 -1.79 135.00 134.11 2pn0 s PRO 30 Ca 0.55 2.50 0.00 0.00 0.04 0.00 0.00 61.00 64.09 2pn0 s PRO 30 Cb -0.10 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.38 2pn0 s PRO 30 CO 0.33 -0.59 0.00 0.41 0.04 0.00 0.00 177.00 177.18 2pn0 n GLY 31 N 2.48 0.74 0.16 0.56 0.00 -1.26 -4.85 105.19 103.02 2pn0 n GLY 31 Ca 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.05 2pn0 n GLY 31 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2pn0 h ARG 32 N 2.07 0.29 -0.89 1.61 2.43 -1.74 0.19 114.38 118.34 2pn0 h ARG 32 Ca 0.00 -0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.24 2pn0 h ARG 32 Cb 0.00 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.42 2pn0 h ARG 32 CO 0.00 0.19 0.58 -0.44 -1.51 0.00 0.00 179.97 178.79 2pn0 h ASP 33 N 0.30 0.83 0.05 -3.80 3.32 -1.92 0.15 116.42 115.36 2pn0 h ASP 33 Ca 0.16 0.02 -0.26 0.00 0.02 0.00 0.00 57.03 56.97 2pn0 h ASP 33 Cb 0.12 -0.16 0.02 0.00 0.22 0.00 0.00 39.33 39.53 2pn0 h ASP 33 CO -0.15 0.51 -1.03 0.44 -1.72 0.00 0.00 179.24 177.28 2pn0 h ASP 34 N 0.93 0.86 -0.29 6.45 3.32 -1.70 -1.68 116.42 124.31 2pn0 h ASP 34 Ca 0.40 -0.69 -0.05 0.00 0.02 0.00 0.00 57.03 56.71 2pn0 h ASP 34 Cb 0.33 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2pn0 h ASP 34 CO -0.16 1.49 -0.01 0.25 -1.72 0.00 0.00 179.24 179.09 2pn0 h LEU 35 N 0.37 0.51 -0.56 1.55 5.85 -0.54 -1.59 115.31 120.90 2pn0 h LEU 35 Ca -0.12 -0.32 0.06 0.00 0.84 0.00 0.00 57.88 58.34 2pn0 h LEU 35 Cb 1.68 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.52 2pn0 h LEU 35 CO 0.20 0.71 0.26 -0.33 -0.34 0.00 0.00 178.44 178.94 2pn0 h GLU 36 N 0.31 0.48 -0.31 1.25 5.08 -0.68 0.02 114.58 120.72 2pn0 h GLU 36 Ca 0.08 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2pn0 h GLU 36 Cb 0.45 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2pn0 h GLU 36 CO 0.02 0.32 0.17 0.00 -1.00 0.00 0.00 179.01 178.51 2pn0 h ALA 37 N 1.33 0.40 -0.56 3.43 0.00 -1.18 0.15 119.26 122.83 2pn0 h ALA 37 Ca 0.26 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.11 2pn0 h ALA 37 Cb 0.23 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2pn0 h ALA 37 CO -0.21 -0.06 0.35 1.49 0.00 0.00 0.00 179.25 180.82 2pn0 h GLU 38 N 0.38 0.69 -0.80 0.00 4.81 -0.99 -2.63 114.58 116.03 2pn0 h GLU 38 Ca 0.11 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 2pn0 h GLU 38 Cb 0.08 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 2pn0 h GLU 38 CO -0.02 0.45 0.42 -0.07 -0.73 0.00 0.00 179.01 179.07 2pn0 h LEU 39 N 0.71 1.02 -1.55 1.64 3.38 -0.53 -2.24 115.31 117.73 2pn0 h LEU 39 Ca 0.22 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2pn0 h LEU 39 Cb -0.03 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 2pn0 h LEU 39 CO -0.07 0.84 0.05 0.00 0.09 0.00 0.00 178.44 179.35 2pn0 h ALA 40 N 1.22 1.65 -0.24 1.53 0.00 -0.35 -2.81 119.26 120.25 2pn0 h ALA 40 Ca 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2pn0 h ALA 40 Cb 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2pn0 h ALA 40 CO -0.04 0.27 0.00 2.89 0.00 0.00 0.00 179.25 182.37 2pn0 n ARG 41 N -4.39 1.96 -1.31 0.00 1.85 -1.10 -5.02 116.66 108.66 2pn0 n ARG 41 Ca 0.01 -1.77 -0.33 0.00 -1.00 0.00 0.00 57.85 54.75 2pn0 n ARG 41 Cb 0.16 -1.29 0.10 0.00 -1.05 0.00 0.00 32.46 30.38 2pn0 n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2pn0 s ALA 42 N -1.04 2.03 -0.30 2.89 0.00 -0.85 -4.77 121.76 119.72 2pn0 s ALA 42 Ca 0.22 0.78 -0.20 0.00 0.00 0.00 0.00 51.96 52.77 2pn0 s ALA 42 Cb 0.13 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.79 2pn0 s ALA 42 CO 0.18 -2.00 0.61 -2.00 0.00 0.00 0.00 175.76 172.54 2pn0 s GLU 43 N -4.10 3.93 -0.42 0.00 2.12 -0.12 -4.97 118.70 115.14 2pn0 s GLU 43 Ca 0.72 0.31 -0.19 0.00 0.36 0.00 0.00 54.97 56.16 2pn0 s GLU 43 Cb -0.27 -3.71 0.02 0.00 0.26 0.00 0.00 34.13 30.43 2pn0 s GLU 43 CO 0.48 -0.53 0.56 0.08 -0.54 0.00 0.00 175.26 175.31 2pn0 s VAL 44 N 2.55 4.94 0.40 3.70 1.01 -1.26 -2.05 120.40 129.68 2pn0 s VAL 44 Ca 0.24 -0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.29 2pn0 s VAL 44 Cb -0.15 -4.12 -0.07 0.00 0.00 0.00 0.00 36.38 32.04 2pn0 s VAL 44 CO 0.11 -0.49 0.06 0.68 0.00 0.00 0.00 175.10 175.47 2pn0 s VAL 45 N 2.54 2.20 0.45 2.92 -7.23 -0.10 -4.87 120.40 116.31 2pn0 s VAL 45 Ca 0.19 -1.90 -0.25 0.00 -1.81 0.00 0.00 61.98 58.21 2pn0 s VAL 45 Cb -0.15 -2.95 -0.08 0.00 0.56 0.00 0.00 36.38 33.76 2pn0 s VAL 45 CO 0.16 -0.04 1.32 -0.62 -0.31 0.00 0.00 175.10 175.62 2pn0 s ASP 46 N -3.77 6.00 0.50 4.85 2.15 -1.26 -2.68 116.67 122.45 2pn0 s ASP 46 Ca 0.37 2.68 0.33 0.00 0.43 0.00 0.00 52.55 56.36 2pn0 s ASP 46 Cb 0.06 -2.64 1.45 0.00 -0.30 0.00 0.00 42.92 41.50 2pn0 s ASP 46 CO 0.20 -1.07 1.75 -0.65 -0.17 0.00 0.00 175.17 175.23 2pn0 h PRO 47 N 2.28 0.10 -0.04 4.34 0.11 -1.95 -2.42 132.00 134.42 2pn0 h PRO 47 Ca -0.50 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 2pn0 h PRO 47 Cb 1.26 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 2pn0 h PRO 47 CO 0.61 0.07 -0.23 0.93 -0.21 0.00 0.00 178.00 179.16 2pn0 h GLU 48 N 0.10 0.07 -0.12 1.05 4.39 -2.02 -2.95 114.58 115.11 2pn0 h GLU 48 Ca 0.65 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.33 2pn0 h GLU 48 Cb 2.30 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.95 2pn0 h GLU 48 CO -0.13 0.30 0.00 0.39 -1.16 0.00 0.00 179.01 178.41 2pn0 n GLU 49 N -4.23 2.16 -2.92 2.33 -0.58 -0.91 -4.81 120.64 111.67 2pn0 n GLU 49 Ca -0.02 -1.70 -0.41 0.00 -0.42 0.00 0.00 57.16 54.60 2pn0 n GLU 49 Cb 0.31 -1.47 -0.04 0.00 -0.57 0.00 0.00 31.44 29.66 2pn0 n GLU 49 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2pn0 s ILE 50 N -1.87 4.87 0.59 -3.67 1.01 -1.12 -5.03 121.20 115.97 2pn0 s ILE 50 Ca 0.33 1.53 -0.20 0.00 0.00 0.00 0.00 60.65 62.31 2pn0 s ILE 50 Cb 0.21 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 2pn0 s ILE 50 CO 0.31 -0.03 1.33 -2.65 0.00 0.00 0.00 174.94 173.90 2pn0 n PRO 51 N 5.75 1.46 0.23 2.79 -0.02 -1.26 -4.88 135.00 139.07 2pn0 n PRO 51 Ca 0.04 0.55 0.15 0.00 -2.02 0.00 0.00 63.50 62.22 2pn0 n PRO 51 Cb 0.48 -2.56 0.79 0.00 -0.02 0.00 0.00 33.50 32.20 2pn0 n PRO 51 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2pn0 h PRO 52 N 1.07 0.00 -0.01 0.52 0.13 -1.96 -1.97 132.00 129.79 2pn0 h PRO 52 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2pn0 h PRO 52 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2pn0 h PRO 52 CO 0.55 0.00 -0.27 0.25 -0.23 0.00 0.00 178.00 178.30 2pn0 n THR 53 N -2.54 0.00 -3.33 1.56 -2.24 -1.26 -4.62 114.28 101.84 2pn0 n THR 53 Ca -0.02 -0.13 -0.38 0.00 -2.27 0.00 0.00 64.05 61.25 2pn0 n THR 53 Cb 0.09 0.42 -0.06 0.00 -2.10 0.00 0.00 70.33 68.68 2pn0 n THR 53 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2pn0 s VAL 54 N -2.51 5.03 -0.25 2.28 1.01 -0.74 -0.44 120.40 124.78 2pn0 s VAL 54 Ca 0.24 1.03 -0.29 0.00 0.00 0.00 0.00 61.98 62.95 2pn0 s VAL 54 Cb 0.19 -3.83 -0.00 0.00 0.00 0.00 0.00 36.38 32.74 2pn0 s VAL 54 CO 0.53 0.44 1.26 -0.69 0.00 0.00 0.00 175.10 176.63 2pn0 s VAL 55 N -0.18 4.24 0.00 2.92 1.01 0.59 -4.96 120.40 124.02 2pn0 s VAL 55 Ca 0.27 1.44 0.00 0.00 0.00 0.00 0.00 61.98 63.69 2pn0 s VAL 55 Cb -0.17 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.09 2pn0 s VAL 55 CO 0.14 -0.34 0.00 0.35 0.00 0.00 0.00 175.10 175.25 2pn0 n THR 56 N 5.85 0.00 0.00 3.92 -2.24 -1.26 -0.99 114.28 119.56 2pn0 n THR 56 Ca 0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 2pn0 n THR 56 Cb 0.46 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 2pn0 n THR 56 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2pn0 n ASN 58 N -0.09 0.00 -4.77 3.42 3.02 0.14 -4.81 115.26 112.17 2pn0 n ASN 58 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.17 2pn0 n ASN 58 Cb 0.00 -0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.08 2pn0 n ASN 58 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2pn0 s SER 59 N 0.00 6.75 -0.24 6.41 0.01 -1.26 -4.78 113.70 120.60 2pn0 s SER 59 Ca 0.00 2.26 -0.11 0.00 1.31 0.00 0.00 55.95 59.41 2pn0 s SER 59 Cb 0.00 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.57 2pn0 s SER 59 CO 0.00 -0.51 0.18 -0.89 0.41 0.00 0.00 173.24 172.43 2pn0 s THR 60 N -1.41 5.35 -0.21 1.44 2.01 0.20 -1.66 115.64 121.36 2pn0 s THR 60 Ca 0.54 0.22 -0.06 0.00 0.31 0.00 0.00 61.69 62.70 2pn0 s THR 60 Cb -0.29 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 2pn0 s THR 60 CO 0.37 0.34 0.03 -0.69 -0.69 0.00 0.00 174.62 173.98 2pn0 s VAL 61 N 1.10 4.26 -0.19 3.82 1.01 0.57 -0.82 120.40 130.15 2pn0 s VAL 61 Ca 0.08 -0.21 -0.12 0.00 0.00 0.00 0.00 61.98 61.74 2pn0 s VAL 61 Cb -0.14 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 2pn0 s VAL 61 CO 0.05 0.41 0.21 -0.60 0.00 0.00 0.00 175.10 175.17 2pn0 s ARG 62 N 1.00 4.21 0.08 2.72 3.52 0.19 -1.12 118.95 129.55 2pn0 s ARG 62 Ca 0.03 -0.07 0.10 0.00 -0.13 0.00 0.00 55.73 55.65 2pn0 s ARG 62 Cb -0.14 -3.44 -0.03 0.00 -1.56 0.00 0.00 34.95 29.78 2pn0 s ARG 62 CO 0.02 0.24 -0.26 -0.06 -0.81 0.00 0.00 175.30 174.43 2pn0 s PHE 63 N 0.52 2.34 -0.08 5.12 0.08 0.53 0.45 117.98 126.92 2pn0 s PHE 63 Ca 0.12 -0.39 0.03 0.00 0.12 0.00 0.00 56.93 56.81 2pn0 s PHE 63 Cb -0.12 -1.34 -0.01 0.00 -0.57 0.00 0.00 43.02 40.97 2pn0 s PHE 63 CO 0.01 0.22 -0.19 -0.98 -0.10 0.00 0.00 175.22 174.18 2pn0 s ARG 64 N -1.57 2.86 0.13 0.44 1.70 -0.25 -1.54 118.95 120.72 2pn0 s ARG 64 Ca 0.13 -0.79 -0.30 0.00 -0.47 0.00 0.00 55.73 54.30 2pn0 s ARG 64 Cb -0.10 -2.38 -0.07 0.00 -0.57 0.00 0.00 34.95 31.84 2pn0 s ARG 64 CO 0.04 0.36 1.17 0.08 -1.08 0.00 0.00 175.30 175.87 2pn0 s VAL 65 N -0.07 3.87 0.11 4.99 1.01 -0.37 -1.00 120.40 128.94 2pn0 s VAL 65 Ca -0.04 1.47 -0.24 0.00 0.00 0.00 0.00 61.98 63.18 2pn0 s VAL 65 Cb -0.14 -3.94 -0.08 0.00 0.00 0.00 0.00 36.38 32.22 2pn0 s VAL 65 CO 0.04 0.19 1.69 -0.33 0.00 0.00 0.00 175.10 176.69 2pn0 h GLU 66 N 5.90 -0.19 -0.28 2.72 5.08 -1.32 -1.56 114.58 124.92 2pn0 h GLU 66 Ca -0.43 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 57.89 2pn0 h GLU 66 Cb 1.21 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 2pn0 h GLU 66 CO 0.77 -0.13 -0.06 0.66 -1.00 0.00 0.00 179.01 179.25 2pn0 h SER 67 N -0.20 0.42 0.00 1.42 4.64 -1.94 -3.36 113.55 114.54 2pn0 h SER 67 Ca 0.04 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2pn0 h SER 67 Cb 0.26 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2pn0 h SER 67 CO -0.12 0.53 -0.21 -1.54 -0.87 0.00 0.00 176.83 174.62 2pn0 n SER 68 N -4.26 1.07 -1.05 4.97 3.41 -1.23 -5.00 113.62 111.52 2pn0 n SER 68 Ca 0.01 -0.35 -0.14 0.00 -0.26 0.00 0.00 58.87 58.13 2pn0 n SER 68 Cb 0.26 0.91 -0.06 0.00 -0.26 0.00 0.00 64.21 65.07 2pn0 n SER 68 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pn0 n ALA 69 N -1.02 -0.21 -1.76 7.33 0.00 -0.59 -4.97 120.51 119.29 2pn0 n ALA 69 Ca 0.00 0.22 -0.38 0.00 0.00 0.00 0.00 53.44 53.28 2pn0 n ALA 69 Cb 0.00 -1.85 0.01 0.00 0.00 0.00 0.00 19.45 17.61 2pn0 n ALA 69 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2pn0 s GLU 70 N -3.14 3.47 0.12 0.00 -1.05 -1.26 -4.80 118.70 112.05 2pn0 s GLU 70 Ca 0.00 1.97 0.10 0.00 -0.15 0.00 0.00 54.97 56.89 2pn0 s GLU 70 Cb 0.00 -2.33 -0.04 0.00 -0.44 0.00 0.00 34.13 31.32 2pn0 s GLU 70 CO 0.00 -0.84 -0.25 -1.21 0.95 0.00 0.00 175.26 173.90 2pn0 s GLU 71 N -2.81 1.33 0.00 -4.83 2.02 -1.26 -1.24 118.70 111.92 2pn0 s GLU 71 Ca 0.67 -1.31 0.00 0.00 0.02 0.00 0.00 54.97 54.36 2pn0 s GLU 71 Cb -0.34 -1.77 0.00 0.00 0.10 0.00 0.00 34.13 32.12 2pn0 s GLU 71 CO 0.40 0.42 0.00 1.97 0.02 0.00 0.00 175.26 178.07 2pn0 n PHE 72 N 0.94 0.00 -3.64 1.61 1.16 -0.59 -4.99 117.46 111.96 2pn0 n PHE 72 Ca -0.18 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.32 2pn0 n PHE 72 Cb 0.53 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.33 2pn0 n PHE 72 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2pn0 s LEU 74 N 0.00 -0.54 -0.22 5.98 1.43 -0.27 -0.35 118.68 124.71 2pn0 s LEU 74 Ca 0.00 0.97 -0.07 0.00 -1.03 0.00 0.00 54.13 54.00 2pn0 s LEU 74 Cb 0.00 1.95 -0.03 0.00 0.03 0.00 0.00 46.19 48.14 2pn0 s LEU 74 CO 0.00 -0.16 0.07 -0.89 0.23 0.00 0.00 176.35 175.59 2pn0 s THR 75 N 0.68 4.52 -0.27 5.49 2.01 -0.10 -0.32 115.64 127.66 2pn0 s THR 75 Ca -0.02 -0.11 -0.28 0.00 0.31 0.00 0.00 61.69 61.59 2pn0 s THR 75 Cb -0.05 -3.08 0.01 0.00 0.01 0.00 0.00 72.50 69.40 2pn0 s THR 75 CO -0.09 0.39 1.00 -0.22 -0.69 0.00 0.00 174.62 175.01 2pn0 s LEU 76 N 1.05 4.04 0.20 4.42 2.96 -0.66 -0.86 118.68 129.83 2pn0 s LEU 76 Ca 0.04 1.16 0.04 0.00 -0.22 0.00 0.00 54.13 55.15 2pn0 s LEU 76 Cb -0.14 -3.45 -0.05 0.00 0.50 0.00 0.00 46.19 43.05 2pn0 s LEU 76 CO 0.03 -0.71 -0.04 0.68 -1.32 0.00 0.00 176.35 174.99 2pn0 s VAL 77 N 3.27 1.07 0.70 1.68 -7.23 -0.27 0.28 120.40 119.91 2pn0 s VAL 77 Ca 0.42 -2.04 -0.13 0.00 -1.81 0.00 0.00 61.98 58.42 2pn0 s VAL 77 Cb -0.14 -2.15 0.02 0.00 0.56 0.00 0.00 36.38 34.67 2pn0 s VAL 77 CO 0.10 -0.49 1.10 -0.31 -0.31 0.00 0.00 175.10 175.19 2pn0 s TYR 78 N -3.40 2.63 0.34 2.82 2.02 -1.26 -1.43 117.35 119.07 2pn0 s TYR 78 Ca 0.24 1.55 0.12 0.00 -0.37 0.00 0.00 57.07 58.61 2pn0 s TYR 78 Cb 0.04 -3.11 0.95 0.00 -0.40 0.00 0.00 41.96 39.45 2pn0 s TYR 78 CO 0.05 -1.70 1.73 -1.35 -1.57 0.00 0.00 175.55 172.71 2pn0 h PRO 79 N -0.44 0.50 -0.26 -1.71 0.11 -1.97 -0.99 132.00 127.24 2pn0 h PRO 79 Ca -0.45 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.70 2pn0 h PRO 79 Cb 1.24 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2pn0 h PRO 79 CO 0.53 0.33 0.36 1.57 -0.21 0.00 0.00 178.00 180.59 2pn0 h LYS 80 N 0.52 0.00 -0.19 1.05 2.10 -2.04 -2.97 116.57 115.04 2pn0 h LYS 80 Ca 0.65 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.30 2pn0 h LYS 80 Cb 1.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.67 2pn0 h LYS 80 CO -0.46 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 176.74 2pn0 n ASP 81 N -3.53 2.53 -4.78 7.07 8.00 -0.38 -4.96 116.55 120.50 2pn0 n ASP 81 Ca 0.04 -1.75 -0.35 0.00 0.71 0.00 0.00 54.79 53.44 2pn0 n ASP 81 Cb 0.50 -0.12 -0.01 0.00 -0.02 0.00 0.00 41.12 41.46 2pn0 n ASP 81 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2pn0 s VAL 82 N -1.04 3.38 0.06 2.53 -7.23 -1.12 -4.96 120.40 112.01 2pn0 s VAL 82 Ca 0.20 0.86 0.01 0.00 -1.81 0.00 0.00 61.98 61.24 2pn0 s VAL 82 Cb 0.12 -3.34 -0.00 0.00 0.56 0.00 0.00 36.38 33.71 2pn0 s VAL 82 CO 0.17 -0.19 0.03 -0.90 -0.31 0.00 0.00 175.10 173.90 2pn0 n ASP 83 N -1.19 0.81 -0.84 4.85 5.68 -1.26 -5.06 116.55 119.54 2pn0 n ASP 83 Ca 0.11 -1.34 0.08 0.00 -0.50 0.00 0.00 54.79 53.13 2pn0 n ASP 83 Cb 0.51 0.18 0.21 0.00 -1.14 0.00 0.00 41.12 40.88 2pn0 n ASP 83 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2pn0 n THR 84 N -0.14 0.60 0.09 2.12 -2.24 -1.26 -4.36 114.28 109.09 2pn0 n THR 84 Ca -0.01 -0.61 -0.07 0.00 -2.27 0.00 0.00 64.05 61.10 2pn0 n THR 84 Cb 0.10 0.32 -0.01 0.00 -2.10 0.00 0.00 70.33 68.64 2pn0 n THR 84 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2pn0 h SER 85 N 2.71 0.11 0.00 3.42 4.64 -1.97 -3.47 113.55 119.00 2pn0 h SER 85 Ca 0.00 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2pn0 h SER 85 Cb 0.62 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2pn0 h SER 85 CO 0.00 0.93 0.00 0.61 -0.87 0.00 0.00 176.83 177.50 2pn0 n GLY 86 N 0.92 0.75 0.00 -0.77 0.00 -1.26 -4.94 105.19 99.89 2pn0 n GLY 86 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.07 2pn0 n GLY 86 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2pn0 n GLU 87 N -2.27 1.85 -3.86 1.61 0.00 -1.26 -4.95 120.64 111.77 2pn0 n GLU 87 Ca 0.00 -0.00 -0.26 0.00 0.00 0.00 0.00 57.16 56.90 2pn0 n GLU 87 Cb 0.00 -1.23 -0.03 0.00 0.00 0.00 0.00 31.44 30.18 2pn0 n GLU 87 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2pn0 s LYS 88 N -2.48 3.46 -0.08 5.31 -0.14 -1.26 -0.92 119.74 123.63 2pn0 s LYS 88 Ca 0.05 -0.53 -0.03 0.00 -1.36 0.00 0.00 55.97 54.10 2pn0 s LYS 88 Cb 0.12 -2.91 0.04 0.00 -1.68 0.00 0.00 37.83 33.40 2pn0 s LYS 88 CO 0.64 0.47 0.17 -1.50 -0.76 0.00 0.00 175.35 174.37 2pn0 s ILE 89 N -1.82 -0.15 0.48 2.17 2.07 -0.04 -4.85 121.20 119.07 2pn0 s ILE 89 Ca 0.36 0.24 -0.23 0.00 -1.41 0.00 0.00 60.65 59.61 2pn0 s ILE 89 Cb -0.11 -0.29 -0.07 0.00 0.13 0.00 0.00 42.46 42.12 2pn0 s ILE 89 CO 0.29 0.10 1.23 -0.55 -1.91 0.00 0.00 174.94 174.10 2pn0 s SER 90 N 1.64 5.93 0.64 4.50 0.15 -1.26 -1.11 113.70 124.19 2pn0 s SER 90 Ca -0.04 2.46 0.36 0.00 0.70 0.00 0.00 55.95 59.42 2pn0 s SER 90 Cb -0.12 -2.61 2.00 0.00 -1.71 0.00 0.00 66.02 63.58 2pn0 s SER 90 CO -0.06 -1.09 2.19 -0.29 1.20 0.00 0.00 173.24 175.19 2pn0 h ILE 91 N 1.80 0.17 0.00 6.45 6.09 -1.50 -1.64 117.51 128.88 2pn0 h ILE 91 Ca -0.50 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 62.99 2pn0 h ILE 91 Cb 1.26 0.88 0.00 0.00 0.47 0.00 0.00 36.82 39.43 2pn0 h ILE 91 CO 0.60 0.00 -0.37 0.18 -3.07 0.00 0.00 178.15 175.48 2pn0 n LEU 92 N -3.29 0.56 -4.87 2.19 4.77 -1.26 -2.74 117.00 112.36 2pn0 n LEU 92 Ca -0.02 0.29 -0.31 0.00 -0.03 0.00 0.00 56.01 55.94 2pn0 n LEU 92 Cb 0.21 -0.28 -0.05 0.00 -2.33 0.00 0.00 43.42 40.97 2pn0 n LEU 92 CO 0.21 -0.03 0.34 0.00 -1.33 0.00 0.00 177.39 176.58 2pn0 s ALA 93 N -3.09 3.43 0.26 -1.18 0.00 -0.62 -4.78 121.76 115.79 2pn0 s ALA 93 Ca 0.09 -0.17 -0.28 0.00 0.00 0.00 0.00 51.96 51.60 2pn0 s ALA 93 Cb 0.15 -2.61 -0.15 0.00 0.00 0.00 0.00 23.12 20.51 2pn0 s ALA 93 CO 0.66 0.30 0.91 -2.30 0.00 0.00 0.00 175.76 175.33 2pn0 n PRO 94 N -0.57 1.06 0.00 0.00 -0.02 -1.26 -0.64 135.00 133.56 2pn0 n PRO 94 Ca 0.02 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 2pn0 n PRO 94 Cb 0.53 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 2pn0 n PRO 94 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2pn0 n VAL 95 N 0.23 0.00 -0.16 -1.45 0.31 -1.26 -4.62 118.33 111.39 2pn0 n VAL 95 Ca 0.12 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.41 2pn0 n VAL 95 Cb 0.30 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.26 2pn0 n VAL 95 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2pn0 h GLY 96 N 0.00 0.29 2.00 2.92 0.00 -1.45 -0.03 103.07 106.80 2pn0 h GLY 96 Ca 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 2pn0 h GLY 96 CO 0.00 -0.20 -0.05 1.48 0.00 0.00 0.00 176.54 177.77 2pn0 h SER 97 N -0.04 0.00 0.79 0.19 4.64 -0.68 -1.80 113.55 116.65 2pn0 h SER 97 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2pn0 h SER 97 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2pn0 h SER 97 CO -0.53 0.05 -0.58 0.00 -0.87 0.00 0.00 176.83 174.89 2pn0 n ALA 98 N -2.36 3.03 0.09 5.18 0.00 -0.13 -4.27 120.51 122.04 2pn0 n ALA 98 Ca -0.03 -0.26 -0.06 0.00 0.00 0.00 0.00 53.44 53.09 2pn0 n ALA 98 Cb 0.14 -1.17 0.07 0.00 0.00 0.00 0.00 19.45 18.49 2pn0 n ALA 98 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2pn0 h LEU 99 N 0.00 0.25 -9.62 0.00 3.38 -0.36 -3.42 115.31 105.54 2pn0 h LEU 99 Ca 0.00 -0.17 -0.53 0.00 0.09 0.00 0.00 57.88 57.27 2pn0 h LEU 99 Cb 0.69 -0.07 0.06 0.00 0.09 0.00 0.00 40.66 41.42 2pn0 h LEU 99 CO 0.00 0.88 1.00 -0.11 0.09 0.00 0.00 178.44 180.29 2pn0 n LEU 100 N -3.78 3.89 0.00 1.67 7.94 -1.25 -1.69 117.00 123.78 2pn0 n LEU 100 Ca -0.03 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 55.93 2pn0 n LEU 100 Cb 0.69 -1.55 0.00 0.00 0.53 0.00 0.00 43.42 43.09 2pn0 n LEU 100 CO 0.46 0.12 0.00 0.61 -1.11 0.00 0.00 177.39 177.47 2pn0 n GLY 101 N 3.93 1.92 3.67 -3.96 0.00 -0.16 -5.01 105.19 105.57 2pn0 n GLY 101 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2pn0 n GLY 101 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pn0 s LEU 102 N 0.00 1.64 0.13 0.99 1.43 -0.68 -4.68 118.68 117.50 2pn0 s LEU 102 Ca 0.00 1.24 0.04 0.00 -1.03 0.00 0.00 54.13 54.38 2pn0 s LEU 102 Cb 0.00 -3.44 -0.04 0.00 0.03 0.00 0.00 46.19 42.74 2pn0 s LEU 102 CO 0.00 -3.14 -0.10 0.00 0.23 0.00 0.00 176.35 173.35 2pn0 s ALA 103 N -2.94 1.29 0.17 4.21 0.00 -1.26 -0.30 121.76 122.94 2pn0 s ALA 103 Ca 0.65 -1.39 -0.33 0.00 0.00 0.00 0.00 51.96 50.90 2pn0 s ALA 103 Cb -0.19 0.06 -0.16 0.00 0.00 0.00 0.00 23.12 22.83 2pn0 s ALA 103 CO 0.58 -0.10 1.10 0.94 0.00 0.00 0.00 175.76 178.28 2pn0 n GLN 104 N 0.03 1.02 0.00 0.00 0.00 0.42 -1.31 117.38 117.54 2pn0 n GLN 104 Ca -0.12 0.36 0.00 0.00 -0.00 0.00 0.00 57.00 57.24 2pn0 n GLN 104 Cb 0.60 -1.82 0.00 0.00 0.00 0.00 0.00 30.24 29.02 2pn0 n GLN 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2pn0 n GLY 105 N 1.93 3.38 3.77 1.69 0.00 0.43 -5.00 105.19 111.40 2pn0 n GLY 105 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 2pn0 n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pn0 s ASP 106 N -0.87 6.18 -0.04 1.61 1.01 -0.42 -4.63 116.67 119.50 2pn0 s ASP 106 Ca 0.00 2.32 0.03 0.00 0.71 0.00 0.00 52.55 55.61 2pn0 s ASP 106 Cb 0.00 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 2pn0 s ASP 106 CO 0.00 -0.91 -0.12 -1.61 0.21 0.00 0.00 175.17 172.74 2pn0 s GLU 107 N -2.68 2.54 0.21 8.23 2.02 -1.26 -1.12 118.70 126.65 2pn0 s GLU 107 Ca 0.63 -0.68 -0.01 0.00 0.02 0.00 0.00 54.97 54.93 2pn0 s GLU 107 Cb -0.29 -2.44 -0.04 0.00 0.10 0.00 0.00 34.13 31.47 2pn0 s GLU 107 CO 0.35 0.63 0.16 0.96 0.02 0.00 0.00 175.26 177.38 2pn0 s ILE 108 N -0.81 0.00 0.04 -1.63 -4.36 -0.77 -5.00 121.20 108.67 2pn0 s ILE 108 Ca 0.13 -1.98 -0.09 0.00 -0.26 0.00 0.00 60.65 58.45 2pn0 s ILE 108 Cb -0.11 -2.49 0.00 0.00 1.25 0.00 0.00 42.46 41.12 2pn0 s ILE 108 CO 0.02 0.00 0.20 -1.83 0.24 0.00 0.00 174.94 173.57 2pn0 s GLU 109 N -4.08 0.70 0.24 0.37 -1.05 -1.26 -1.10 118.70 112.52 2pn0 s GLU 109 Ca 0.39 -0.64 -0.11 0.00 -0.15 0.00 0.00 54.97 54.46 2pn0 s GLU 109 Cb 0.06 0.29 -0.01 0.00 -0.44 0.00 0.00 34.13 34.03 2pn0 s GLU 109 CO 0.13 -0.20 0.42 1.67 0.95 0.00 0.00 175.26 178.23 2pn0 s TRP 110 N -2.61 0.50 0.39 4.83 -2.14 -0.52 -4.96 118.94 114.42 2pn0 s TRP 110 Ca -0.05 -0.83 -0.27 0.00 2.66 0.00 0.00 56.10 57.61 2pn0 s TRP 110 Cb -0.01 0.06 -0.10 0.00 -3.10 0.00 0.00 33.47 30.33 2pn0 s TRP 110 CO -0.04 -0.93 1.40 -2.14 -2.66 0.00 0.00 176.95 172.58 2pn0 s PRO 111 N -4.04 4.03 -0.03 3.25 0.02 -1.26 -0.22 135.00 136.74 2pn0 s PRO 111 Ca 0.25 2.39 -0.22 0.00 0.02 0.00 0.00 61.00 63.44 2pn0 s PRO 111 Cb 0.01 -2.87 -0.05 0.00 0.02 0.00 0.00 34.50 31.61 2pn0 s PRO 111 CO 0.09 -0.53 0.65 0.15 -0.33 0.00 0.00 177.00 177.04 2pn0 s LYS 112 N -2.15 4.39 0.11 5.54 1.02 -0.41 -4.59 119.74 123.65 2pn0 s LYS 112 Ca 0.55 0.82 -0.34 0.00 0.02 0.00 0.00 55.97 57.02 2pn0 s LYS 112 Cb -0.43 -3.39 -0.14 0.00 -0.52 0.00 0.00 37.83 33.35 2pn0 s LYS 112 CO 0.57 0.23 1.59 -2.30 -0.92 0.00 0.00 175.35 174.52 2pn0 n PRO 113 N 3.19 2.01 -0.48 -1.68 -0.02 -1.26 -1.03 135.00 135.72 2pn0 n PRO 113 Ca -0.04 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2pn0 n PRO 113 Cb 0.51 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 2pn0 n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pn0 n GLY 114 N 3.45 1.07 0.00 -1.23 0.00 -1.26 -4.91 105.19 102.31 2pn0 n GLY 114 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2pn0 n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pn0 n GLY 115 N -2.00 3.27 0.00 -0.02 0.00 -0.20 -5.16 105.19 101.08 2pn0 n GLY 115 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.21 2pn0 n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pn0 n GLY 116 N -0.78 -3.57 3.23 -0.02 0.00 -1.26 -4.55 105.19 98.25 2pn0 n GLY 116 Ca 0.00 -2.13 -0.25 0.00 0.00 0.00 0.00 46.02 43.64 2pn0 n GLY 116 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pn0 s VAL 117 N -0.82 1.59 -0.37 1.61 -7.23 -1.26 -1.29 120.40 112.62 2pn0 s VAL 117 Ca 0.00 -1.15 -0.17 0.00 -1.81 0.00 0.00 61.98 58.85 2pn0 s VAL 117 Cb 0.00 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.56 2pn0 s VAL 117 CO 0.00 0.20 0.47 -0.22 -0.31 0.00 0.00 175.10 175.24 2pn0 s LEU 118 N -1.12 4.50 -0.20 1.32 2.96 0.69 -4.74 118.68 122.10 2pn0 s LEU 118 Ca 0.07 -0.26 -0.06 0.00 -0.22 0.00 0.00 54.13 53.66 2pn0 s LEU 118 Cb -0.09 -2.50 -0.03 0.00 0.50 0.00 0.00 46.19 44.08 2pn0 s LEU 118 CO 0.02 -0.50 0.03 -0.60 -1.32 0.00 0.00 176.35 173.98 2pn0 s ARG 119 N 2.29 3.75 0.11 1.98 3.52 -1.26 -1.44 118.95 127.90 2pn0 s ARG 119 Ca 0.16 -0.45 0.06 0.00 -0.13 0.00 0.00 55.73 55.37 2pn0 s ARG 119 Cb -0.16 -3.16 -0.04 0.00 -1.56 0.00 0.00 34.95 30.03 2pn0 s ARG 119 CO 0.14 0.08 -0.14 0.14 -0.81 0.00 0.00 175.30 174.71 2pn0 s VAL 120 N 0.85 1.31 0.01 7.11 -7.23 -0.25 -0.81 120.40 121.38 2pn0 s VAL 120 Ca 0.02 -1.66 0.07 0.00 -1.81 0.00 0.00 61.98 58.60 2pn0 s VAL 120 Cb -0.14 -1.47 -0.03 0.00 0.56 0.00 0.00 36.38 35.30 2pn0 s VAL 120 CO 0.02 -0.38 -0.20 -0.60 -0.31 0.00 0.00 175.10 173.64 2pn0 s ARG 121 N -2.52 2.16 -0.32 4.82 3.52 -0.17 -1.85 118.95 124.58 2pn0 s ARG 121 Ca 0.07 -0.91 -0.29 0.00 -0.13 0.00 0.00 55.73 54.47 2pn0 s ARG 121 Cb -0.06 -2.19 0.01 0.00 -1.56 0.00 0.00 34.95 31.15 2pn0 s ARG 121 CO 0.03 0.56 1.27 0.42 -0.81 0.00 0.00 175.30 176.77 2pn0 s ILE 122 N -0.80 4.17 -0.09 4.11 1.01 -0.27 -1.08 121.20 128.25 2pn0 s ILE 122 Ca 0.13 1.31 0.15 0.00 0.00 0.00 0.00 60.65 62.24 2pn0 s ILE 122 Cb -0.10 -4.23 -0.18 0.00 0.01 0.00 0.00 42.46 37.96 2pn0 s ILE 122 CO 0.02 -0.54 0.73 1.33 0.00 0.00 0.00 174.94 176.49 2pn0 n VAL 123 N 6.28 1.37 -3.56 2.92 0.24 0.17 -0.43 118.33 125.33 2pn0 n VAL 123 Ca 0.14 -0.74 -0.15 0.00 -2.04 0.00 0.00 64.34 61.55 2pn0 n VAL 123 Cb 0.47 -0.86 -0.06 0.00 -1.47 0.00 0.00 33.84 31.92 2pn0 n VAL 123 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2pn0 s GLU 124 N -2.77 0.87 -0.06 7.34 2.12 -1.16 -4.83 118.70 120.21 2pn0 s GLU 124 Ca -0.04 0.38 0.05 0.00 0.36 0.00 0.00 54.97 55.72 2pn0 s GLU 124 Cb 0.08 0.42 -0.00 0.00 0.26 0.00 0.00 34.13 34.89 2pn0 s GLU 124 CO 0.82 -0.24 -0.20 0.08 -0.54 0.00 0.00 175.26 175.18 2pn0 s VAL 125 N -0.80 1.72 -0.00 3.70 1.01 -1.26 -0.63 120.40 124.13 2pn0 s VAL 125 Ca -0.06 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.07 2pn0 s VAL 125 Cb -0.01 -1.48 -0.00 0.00 0.00 0.00 0.00 36.38 34.89 2pn0 s VAL 125 CO 0.05 0.49 -0.04 -0.89 0.00 0.00 0.00 175.10 174.71 2pn0 s THR 126 N 0.11 0.34 -2.81 3.92 2.01 0.00 -4.80 115.64 114.40 2pn0 s THR 126 Ca -0.08 -0.18 0.26 0.00 0.31 0.00 0.00 61.69 62.00 2pn0 s THR 126 Cb -0.14 -0.29 0.33 0.00 0.01 0.00 0.00 72.50 72.41 2pn0 s THR 126 CO 0.04 0.10 1.45 0.00 -0.69 0.00 0.00 174.62 175.52