#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4s n LYS 2 N 0.00 4.81 -2.69 4.33 2.85 -1.26 -4.95 118.16 121.25 3g4s n LYS 2 Ca 0.00 -0.05 -0.42 0.00 -1.05 0.00 0.00 58.31 56.79 3g4s n LYS 2 Cb 0.00 -0.46 -0.03 0.00 -0.65 0.00 0.00 35.03 33.90 3g4s n LYS 2 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 3g4s s GLN 3 N -0.70 4.41 0.45 -1.58 -0.21 -1.26 -4.96 119.66 115.80 3g4s s GLN 3 Ca 0.00 1.38 0.22 0.00 0.02 0.00 0.00 55.36 56.98 3g4s s GLN 3 Cb 0.00 -3.55 1.20 0.00 1.00 0.00 0.00 33.01 31.66 3g4s s GLN 3 CO 0.00 -0.34 1.86 -1.35 -2.12 0.00 0.00 175.29 173.33 3g4s h PRO 4 N 7.13 0.28 0.26 2.91 0.11 -1.99 -1.19 132.00 139.52 3g4s h PRO 4 Ca -0.30 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 3g4s h PRO 4 Cb 1.14 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3g4s h PRO 4 CO 0.87 0.19 -0.13 -0.44 -0.21 0.00 0.00 178.00 178.28 3g4s h ASP 5 N 0.29 -0.30 0.57 -2.05 5.19 -2.00 -2.82 116.42 115.30 3g4s h ASP 5 Ca 0.47 -0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.69 3g4s h ASP 5 Cb 1.36 0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.95 3g4s h ASP 5 CO -0.14 0.06 0.00 0.29 -3.12 0.00 0.00 179.24 176.32 3g4s n LYS 6 N -5.10 0.01 -0.04 3.56 5.02 -0.73 -2.11 118.16 118.77 3g4s n LYS 6 Ca -0.09 0.20 -0.19 0.00 -2.02 0.00 0.00 58.31 56.21 3g4s n LYS 6 Cb 0.25 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.63 3g4s n LYS 6 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 3g4s h GLN 7 N 0.00 0.11 -0.04 1.97 1.08 -1.18 -3.18 115.11 113.88 3g4s h GLN 7 Ca 0.00 -0.19 -0.12 0.00 -1.45 0.00 0.00 58.65 56.89 3g4s h GLN 7 Cb 0.29 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.77 3g4s h GLN 7 CO 0.00 1.09 -0.53 0.00 -0.95 0.00 0.00 178.83 178.44 3g4s h ARG 8 N -0.71 0.11 -0.22 1.46 3.08 -1.42 -3.00 114.38 113.69 3g4s h ARG 8 Ca -0.21 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.77 3g4s h ARG 8 Cb 1.40 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.45 3g4s h ARG 8 CO -0.02 0.61 0.13 -0.22 -1.07 0.00 0.00 179.97 179.40 3g4s h LYS 9 N 0.09 0.30 -0.17 0.04 3.64 -1.56 -1.23 116.57 117.68 3g4s h LYS 9 Ca -0.00 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 3g4s h LYS 9 Cb 0.97 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 3g4s h LYS 9 CO 0.07 0.24 -0.19 0.66 -2.27 0.00 0.00 179.45 177.97 3g4s h SER 10 N 0.26 0.28 0.83 4.20 4.64 -1.51 0.14 113.55 122.39 3g4s h SER 10 Ca 0.08 -0.07 -0.12 0.00 -0.47 0.00 0.00 61.79 61.21 3g4s h SER 10 Cb 0.02 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 3g4s h SER 10 CO -0.01 0.49 -0.56 1.56 -0.87 0.00 0.00 176.83 177.44 3g4s h GLN 11 N 0.27 0.00 0.00 4.77 4.20 -1.31 -3.20 115.11 119.84 3g4s h GLN 11 Ca 0.05 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.63 3g4s h GLN 11 Cb 0.50 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 3g4s h GLN 11 CO 0.03 0.56 -0.95 0.54 -0.67 0.00 0.00 178.83 178.34 3g4s n ARG 12 N -3.59 0.51 -1.58 1.46 1.74 -0.51 -4.42 116.66 110.28 3g4s n ARG 12 Ca -0.00 0.53 -0.39 0.00 -0.77 0.00 0.00 57.85 57.22 3g4s n ARG 12 Cb 0.62 -1.71 -0.02 0.00 -1.02 0.00 0.00 32.46 30.34 3g4s n ARG 12 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3g4s n ARG 13 N -4.51 4.02 -4.45 5.56 1.74 0.46 -4.89 116.66 114.59 3g4s n ARG 13 Ca -0.21 -2.69 -0.34 0.00 -0.77 0.00 0.00 57.85 53.85 3g4s n ARG 13 Cb 0.49 -2.75 -0.13 0.00 -1.02 0.00 0.00 32.46 29.05 3g4s n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3g4s s ALA 14 N 0.94 2.85 0.52 7.54 0.00 -1.21 -4.76 121.76 127.64 3g4s s ALA 14 Ca 0.63 -0.90 -0.23 0.00 0.00 0.00 0.00 51.96 51.47 3g4s s ALA 14 Cb 0.18 -1.47 -0.06 0.00 0.00 0.00 0.00 23.12 21.77 3g4s s ALA 14 CO -0.07 0.12 1.37 -2.14 0.00 0.00 0.00 175.76 175.05 3g4s s PRO 15 N 0.53 3.30 0.41 0.00 0.02 -1.26 -4.73 135.00 133.27 3g4s s PRO 15 Ca -0.05 2.28 0.27 0.00 0.02 0.00 0.00 61.00 63.52 3g4s s PRO 15 Cb -0.15 -2.37 1.43 0.00 0.02 0.00 0.00 34.50 33.43 3g4s s PRO 15 CO 0.03 -1.08 1.58 -0.07 -0.33 0.00 0.00 177.00 177.13 3g4s h LEU 16 N 1.70 0.26 -0.59 -5.54 3.38 -1.99 0.20 115.31 112.73 3g4s h LEU 16 Ca -0.51 0.20 -0.14 0.00 0.09 0.00 0.00 57.88 57.52 3g4s h LEU 16 Cb 1.29 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 42.23 3g4s h LEU 16 CO 0.58 -0.34 -0.66 1.12 0.09 0.00 0.00 178.44 179.24 3g4s h HIS 17 N 0.01 0.00 -0.00 1.13 2.07 -2.02 -2.78 115.15 113.56 3g4s h HIS 17 Ca 0.87 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.39 3g4s h HIS 17 Cb 2.56 0.00 0.00 0.00 2.57 0.00 0.00 27.41 32.54 3g4s h HIS 17 CO -0.01 0.66 -0.02 0.39 -3.07 0.00 0.00 177.93 175.88 3g4s n GLU 18 N -3.65 0.47 0.00 5.12 1.02 0.67 -2.84 120.64 121.42 3g4s n GLU 18 Ca -0.01 -0.04 0.14 0.00 -0.02 0.00 0.00 57.16 57.24 3g4s n GLU 18 Cb 0.67 -1.50 0.63 0.00 -0.02 0.00 0.00 31.44 31.22 3g4s n GLU 18 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3g4s n ARG 19 N -1.23 1.05 -0.15 3.49 1.74 -1.05 -3.62 116.66 116.89 3g4s n ARG 19 Ca 0.14 -0.43 -0.12 0.00 -0.77 0.00 0.00 57.85 56.67 3g4s n ARG 19 Cb 0.25 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.19 3g4s n ARG 19 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3g4s h HIS 20 N 1.05 1.14 0.00 -1.55 3.86 -1.66 -2.69 115.15 115.30 3g4s h HIS 20 Ca 0.00 -0.29 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 3g4s h HIS 20 Cb 0.35 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.56 3g4s h HIS 20 CO 0.00 1.12 0.00 1.57 0.86 0.00 0.00 177.93 181.48 3g4s h LYS 21 N 0.83 0.00 0.00 2.45 2.10 -1.80 -2.53 116.57 117.63 3g4s h LYS 21 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 3g4s h LYS 21 Cb 0.84 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.17 3g4s h LYS 21 CO 0.07 0.00 0.00 1.04 -2.00 0.00 0.00 179.45 178.56 3g4s n GLN 22 N -2.81 0.17 -1.34 0.07 6.02 -1.02 -3.23 117.38 115.24 3g4s n GLN 22 Ca 0.01 0.18 -0.18 0.00 -0.01 0.00 0.00 57.00 56.99 3g4s n GLN 22 Cb 0.28 -1.71 0.11 0.00 1.02 0.00 0.00 30.24 29.93 3g4s n GLN 22 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 3g4s n VAL 23 N -2.02 2.81 -3.48 5.09 0.24 -0.95 -4.83 118.33 115.19 3g4s n VAL 23 Ca 0.06 -3.27 -0.37 0.00 -2.04 0.00 0.00 64.34 58.72 3g4s n VAL 23 Cb 0.38 -0.78 -0.06 0.00 -1.47 0.00 0.00 33.84 31.91 3g4s n VAL 23 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3g4s s ARG 24 N -3.50 3.91 0.07 7.34 0.52 -1.20 -2.28 118.95 123.82 3g4s s ARG 24 Ca 0.52 0.40 0.02 0.00 -0.52 0.00 0.00 55.73 56.15 3g4s s ARG 24 Cb 0.43 -3.12 -0.03 0.00 0.52 0.00 0.00 34.95 32.75 3g4s s ARG 24 CO 0.01 0.62 -0.08 0.00 0.02 0.00 0.00 175.30 175.87 3g4s s ALA 25 N -1.23 0.85 0.33 2.13 0.00 -0.40 -4.09 121.76 119.36 3g4s s ALA 25 Ca 0.29 -1.07 -0.28 0.00 0.00 0.00 0.00 51.96 50.89 3g4s s ALA 25 Cb -0.16 0.08 -0.10 0.00 0.00 0.00 0.00 23.12 22.94 3g4s s ALA 25 CO 0.16 -0.10 1.22 -0.08 0.00 0.00 0.00 175.76 176.96 3g4s s THR 26 N -2.41 3.02 0.35 0.00 -1.32 -1.24 -1.38 115.64 112.66 3g4s s THR 26 Ca 0.01 0.99 -0.09 0.00 -1.21 0.00 0.00 61.69 61.39 3g4s s THR 26 Cb -0.03 -3.61 -0.06 0.00 -1.51 0.00 0.00 72.50 67.29 3g4s s THR 26 CO -0.01 0.20 0.69 -0.76 -2.21 0.00 0.00 174.62 172.53 3g4s s LEU 27 N -1.88 3.94 0.00 9.08 1.43 0.18 -1.65 118.68 129.78 3g4s s LEU 27 Ca 0.50 1.02 -0.20 0.00 -1.03 0.00 0.00 54.13 54.42 3g4s s LEU 27 Cb -0.36 -3.87 0.29 0.00 0.03 0.00 0.00 46.19 42.29 3g4s s LEU 27 CO 0.46 -0.30 1.10 -1.54 0.23 0.00 0.00 176.35 176.30 3g4s n SER 28 N -1.02 -1.86 0.21 2.29 3.41 -1.07 -4.70 113.62 110.87 3g4s n SER 28 Ca 0.01 -1.19 -0.15 0.00 -0.26 0.00 0.00 58.87 57.28 3g4s n SER 28 Cb 0.54 -0.99 -0.08 0.00 -0.26 0.00 0.00 64.21 63.41 3g4s n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g4s h ALA 29 N -2.64 -0.49 -0.77 7.33 0.00 -1.98 -1.00 119.26 119.71 3g4s h ALA 29 Ca -0.41 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.42 3g4s h ALA 29 Cb 1.23 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 19.15 3g4s h ALA 29 CO 0.27 -0.73 0.46 -0.44 0.00 0.00 0.00 179.25 178.82 3g4s h ASP 30 N -0.58 0.73 0.77 0.00 5.19 -1.97 -2.34 116.42 118.21 3g4s h ASP 30 Ca -0.05 0.02 -0.16 0.00 -0.62 0.00 0.00 57.03 56.22 3g4s h ASP 30 Cb 0.43 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.79 3g4s h ASP 30 CO 0.08 0.47 -0.75 -0.07 -3.12 0.00 0.00 179.24 175.86 3g4s h LEU 31 N 0.86 0.00 -0.48 1.55 3.38 -1.90 -2.44 115.31 116.28 3g4s h LEU 31 Ca 0.33 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.13 3g4s h LEU 31 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3g4s h LEU 31 CO -0.16 0.75 -0.73 0.03 0.09 0.00 0.00 178.44 178.42 3g4s h ARG 32 N 0.00 0.24 -0.18 1.13 3.08 -0.83 -2.45 114.38 115.36 3g4s h ARG 32 Ca -0.01 -0.20 -0.18 0.00 0.07 0.00 0.00 59.98 59.66 3g4s h ARG 32 Cb 1.33 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.42 3g4s h ARG 32 CO 0.10 0.86 -0.62 1.49 -1.07 0.00 0.00 179.97 180.73 3g4s h GLU 33 N 0.16 0.63 0.05 0.04 4.57 -1.39 -2.94 114.58 115.69 3g4s h GLU 33 Ca -0.02 -0.43 -0.07 0.00 -1.18 0.00 0.00 59.36 57.65 3g4s h GLU 33 Cb 1.29 0.07 0.01 0.00 -0.16 0.00 0.00 28.75 29.95 3g4s h GLU 33 CO 0.11 1.05 -0.32 1.49 -1.18 0.00 0.00 179.01 180.17 3g4s h GLU 34 N 0.46 0.13 -0.02 1.92 4.81 -1.41 -3.39 114.58 117.09 3g4s h GLU 34 Ca -0.01 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 3g4s h GLU 34 Cb 1.19 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.65 3g4s h GLU 34 CO 0.12 1.07 -0.20 0.66 -0.73 0.00 0.00 179.01 179.93 3g4s n TYR 35 N -4.43 0.00 -1.36 0.92 4.02 -0.93 -4.99 117.16 110.39 3g4s n TYR 35 Ca -0.11 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.68 3g4s n TYR 35 Cb 0.60 -0.02 -0.04 0.00 -0.02 0.00 0.00 39.34 39.87 3g4s n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3g4s n GLY 36 N 1.35 1.01 1.42 2.72 0.00 -1.11 -4.73 105.19 105.86 3g4s n GLY 36 Ca 0.13 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 3g4s n GLY 36 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3g4s n GLN 37 N -2.65 1.39 0.00 1.61 6.02 -1.25 -5.07 117.38 117.43 3g4s n GLN 37 Ca -0.10 -1.45 0.00 0.00 -0.01 0.00 0.00 57.00 55.44 3g4s n GLN 37 Cb 0.34 0.45 0.00 0.00 1.02 0.00 0.00 30.24 32.05 3g4s n GLN 37 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 3g4s n ARG 38 N -0.48 1.98 -4.29 -1.09 0.63 -1.26 -4.54 116.66 107.61 3g4s n ARG 38 Ca -0.07 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.70 3g4s n ARG 38 Cb 0.25 -0.89 -0.10 0.00 0.45 0.00 0.00 32.46 32.17 3g4s n ARG 38 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3g4s s ASN 39 N -3.02 1.48 0.07 6.15 4.22 -1.26 0.47 114.94 123.05 3g4s s ASN 39 Ca 0.00 -1.23 -0.11 0.00 -2.14 0.00 0.00 52.86 49.37 3g4s s ASN 39 Cb 0.00 0.08 0.01 0.00 1.28 0.00 0.00 41.25 42.62 3g4s s ASN 39 CO 0.00 -0.58 0.25 0.54 -2.04 0.00 0.00 177.10 175.27 3g4s s VAL 40 N -3.57 0.11 -0.08 3.54 0.11 -0.48 -4.87 120.40 115.16 3g4s s VAL 40 Ca 0.29 -0.90 -0.30 0.00 -2.93 0.00 0.00 61.98 58.14 3g4s s VAL 40 Cb 0.06 -1.12 -0.02 0.00 -1.53 0.00 0.00 36.38 33.78 3g4s s VAL 40 CO 0.08 -0.50 1.06 -0.60 -3.33 0.00 0.00 175.10 171.81 3g4s s ARG 41 N -3.22 4.42 0.21 1.54 3.52 -1.26 -1.28 118.95 122.87 3g4s s ARG 41 Ca -0.00 1.47 -0.30 0.00 -0.13 0.00 0.00 55.73 56.77 3g4s s ARG 41 Cb 0.02 -3.54 -0.09 0.00 -1.56 0.00 0.00 34.95 29.78 3g4s s ARG 41 CO -0.08 -0.33 1.32 0.08 -0.81 0.00 0.00 175.30 175.49 3g4s s VAL 42 N 1.97 3.15 0.26 7.11 1.01 -0.96 -4.96 120.40 127.97 3g4s s VAL 42 Ca 0.51 0.95 0.10 0.00 0.00 0.00 0.00 61.98 63.54 3g4s s VAL 42 Cb -0.20 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 3g4s s VAL 42 CO 0.20 0.14 -0.07 0.20 0.00 0.00 0.00 175.10 175.57 3g4s s ASN 43 N 0.32 4.23 0.00 3.32 0.01 -1.26 -4.97 114.94 116.59 3g4s s ASN 43 Ca 0.57 -0.75 0.08 0.00 -0.71 0.00 0.00 52.86 52.05 3g4s s ASN 43 Cb -0.37 -0.67 0.42 0.00 0.41 0.00 0.00 41.25 41.04 3g4s s ASN 43 CO 0.39 0.03 1.08 0.00 -1.51 0.00 0.00 177.10 177.09 3g4s n ALA 44 N -0.69 1.60 0.24 0.60 0.00 -1.26 -2.07 120.51 118.93 3g4s n ALA 44 Ca -0.07 -0.04 0.06 0.00 0.00 0.00 0.00 53.44 53.39 3g4s n ALA 44 Cb 0.59 -1.13 -0.08 0.00 0.00 0.00 0.00 19.45 18.83 3g4s n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g4s n GLY 45 N -0.59 -0.37 3.75 0.00 0.00 -1.26 -4.52 105.19 102.20 3g4s n GLY 45 Ca 0.04 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 3g4s n GLY 45 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3g4s s ASP 46 N -2.84 4.83 0.07 1.61 1.01 -0.88 -4.67 116.67 115.80 3g4s s ASP 46 Ca -0.01 2.23 0.04 0.00 0.71 0.00 0.00 52.55 55.53 3g4s s ASP 46 Cb 0.08 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.40 3g4s s ASP 46 CO 0.50 -1.83 -0.01 -0.89 0.21 0.00 0.00 175.17 173.15 3g4s s THR 47 N -2.00 3.96 0.20 -1.27 2.01 -0.87 -0.49 115.64 117.18 3g4s s THR 47 Ca 0.72 -0.92 -0.11 0.00 0.31 0.00 0.00 61.69 61.69 3g4s s THR 47 Cb -0.26 -2.85 -0.00 0.00 0.01 0.00 0.00 72.50 69.40 3g4s s THR 47 CO 0.40 0.19 0.38 0.54 -0.69 0.00 0.00 174.62 175.44 3g4s s VAL 48 N -1.23 0.03 -0.04 3.82 0.11 0.15 -3.05 120.40 120.19 3g4s s VAL 48 Ca 0.23 -1.32 0.02 0.00 -2.93 0.00 0.00 61.98 57.99 3g4s s VAL 48 Cb -0.12 -1.95 0.01 0.00 -1.53 0.00 0.00 36.38 32.79 3g4s s VAL 48 CO 0.15 -0.15 -0.10 -1.83 -3.33 0.00 0.00 175.10 169.84 3g4s s GLU 49 N -3.98 1.30 -0.05 1.54 -1.05 0.22 -1.95 118.70 114.73 3g4s s GLU 49 Ca 0.19 -0.35 -0.27 0.00 -0.15 0.00 0.00 54.97 54.39 3g4s s GLU 49 Cb 0.01 -1.14 -0.03 0.00 -0.44 0.00 0.00 34.13 32.53 3g4s s GLU 49 CO 0.03 0.07 0.86 0.08 0.95 0.00 0.00 175.26 177.26 3g4s s VAL 50 N 0.44 4.93 -0.14 1.83 1.01 -0.94 -0.33 120.40 127.20 3g4s s VAL 50 Ca -0.08 1.79 0.11 0.00 0.00 0.00 0.00 61.98 63.79 3g4s s VAL 50 Cb -0.12 -4.20 -0.16 0.00 0.00 0.00 0.00 36.38 31.90 3g4s s VAL 50 CO 0.02 0.16 0.03 0.18 0.00 0.00 0.00 175.10 175.49 3g4s n LEU 51 N 4.11 0.28 -0.02 3.92 4.77 -0.49 -0.80 117.00 128.77 3g4s n LEU 51 Ca 0.03 -0.01 -0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3g4s n LEU 51 Cb 0.51 0.25 -0.06 0.00 -2.33 0.00 0.00 43.42 41.78 3g4s n LEU 51 CO 0.50 0.38 -0.68 0.54 -1.33 0.00 0.00 177.39 176.79 3g4s n ARG 52 N -2.55 1.65 0.00 3.23 5.12 -1.21 -4.83 116.66 118.07 3g4s n ARG 52 Ca -0.23 -0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.66 3g4s n ARG 52 Cb 0.93 -1.20 0.00 0.00 -1.16 0.00 0.00 32.46 31.03 3g4s n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3g4s n GLY 53 N 2.31 -0.97 0.16 -0.13 0.00 -1.26 -4.85 105.19 100.45 3g4s n GLY 53 Ca -0.08 -1.55 0.04 0.00 0.00 0.00 0.00 46.02 44.44 3g4s n GLY 53 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3g4s h ASP 54 N 0.00 0.00 -0.38 1.61 3.45 -2.01 -3.11 116.42 115.98 3g4s h ASP 54 Ca 0.00 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.40 3g4s h ASP 54 Cb 0.00 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 38.74 3g4s h ASP 54 CO 0.00 0.44 0.07 0.49 -1.57 0.00 0.00 179.24 178.67 3g4s n PHE 55 N -3.35 1.33 -2.25 4.55 3.01 -1.26 -4.94 117.46 114.56 3g4s n PHE 55 Ca 0.01 -0.59 -0.42 0.00 1.01 0.00 0.00 57.45 57.46 3g4s n PHE 55 Cb 0.63 -0.40 -0.03 0.00 -0.01 0.00 0.00 39.48 39.67 3g4s n PHE 55 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3g4s s ALA 56 N -2.01 3.55 0.00 4.37 0.00 -1.18 -2.93 121.76 123.56 3g4s s ALA 56 Ca 0.32 0.95 0.00 0.00 0.00 0.00 0.00 51.96 53.23 3g4s s ALA 56 Cb 0.25 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.82 3g4s s ALA 56 CO 0.09 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 175.53 3g4s n GLY 57 N 3.51 0.98 3.41 0.00 0.00 0.02 -4.99 105.19 108.12 3g4s n GLY 57 Ca 0.12 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 3g4s n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g4s s GLU 58 N -0.69 2.15 0.22 1.61 2.02 -1.15 -4.99 118.70 117.87 3g4s s GLU 58 Ca 0.00 -0.91 0.07 0.00 0.02 0.00 0.00 54.97 54.15 3g4s s GLU 58 Cb 0.00 -2.17 -0.04 0.00 0.10 0.00 0.00 34.13 32.03 3g4s s GLU 58 CO 0.00 0.56 0.09 -1.21 0.02 0.00 0.00 175.26 174.72 3g4s s GLU 59 N -1.01 2.65 0.00 1.61 2.02 -1.26 -2.21 118.70 120.50 3g4s s GLU 59 Ca 0.12 -1.12 0.00 0.00 0.02 0.00 0.00 54.97 53.99 3g4s s GLU 59 Cb -0.10 -2.43 0.00 0.00 0.10 0.00 0.00 34.13 31.69 3g4s s GLU 59 CO 0.02 0.42 0.00 0.41 0.02 0.00 0.00 175.26 176.13 3g4s n GLY 60 N -0.72 0.65 3.79 -1.39 0.00 -0.82 -4.91 105.19 101.79 3g4s n GLY 60 Ca -0.08 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 44.77 3g4s n GLY 60 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3g4s s GLU 61 N -2.00 4.47 -0.54 1.61 2.12 -1.26 -0.68 118.70 122.43 3g4s s GLU 61 Ca 0.00 1.06 -0.28 0.00 0.36 0.00 0.00 54.97 56.11 3g4s s GLU 61 Cb 0.00 -3.23 0.01 0.00 0.26 0.00 0.00 34.13 31.17 3g4s s GLU 61 CO 0.00 0.58 1.43 0.08 -0.54 0.00 0.00 175.26 176.80 3g4s s VAL 62 N -1.16 3.79 -0.13 3.70 1.01 0.36 0.18 120.40 128.15 3g4s s VAL 62 Ca 0.35 0.70 0.15 0.00 0.00 0.00 0.00 61.98 63.18 3g4s s VAL 62 Cb -0.22 -4.39 -0.02 0.00 0.00 0.00 0.00 36.38 31.75 3g4s s VAL 62 CO 0.24 -1.09 1.23 0.40 0.00 0.00 0.00 175.10 175.89 3g4s h ILE 63 N 6.41 0.81 -2.95 2.22 1.08 -0.96 -3.36 117.51 120.75 3g4s h ILE 63 Ca -0.27 -2.23 -0.08 0.00 -0.39 0.00 0.00 64.86 61.88 3g4s h ILE 63 Cb 1.10 2.33 -0.17 0.00 -3.07 0.00 0.00 36.82 37.00 3g4s h ILE 63 CO 1.16 0.46 -0.12 0.21 -0.69 0.00 0.00 178.15 179.18 3g4s s ASN 64 N -6.26 -0.29 -0.33 1.72 2.47 -1.12 -4.95 114.94 106.17 3g4s s ASN 64 Ca 0.02 0.07 -0.01 0.00 0.42 0.00 0.00 52.86 53.35 3g4s s ASN 64 Cb 0.08 0.41 0.12 0.00 -1.45 0.00 0.00 41.25 40.41 3g4s s ASN 64 CO 0.77 -0.61 0.17 -0.69 -3.72 0.00 0.00 177.10 173.01 3g4s s VAL 65 N -2.14 0.36 -0.44 -5.21 1.01 -1.26 -1.59 120.40 111.13 3g4s s VAL 65 Ca -0.07 -1.44 -0.22 0.00 0.00 0.00 0.00 61.98 60.24 3g4s s VAL 65 Cb -0.02 -1.28 0.02 0.00 0.00 0.00 0.00 36.38 35.11 3g4s s VAL 65 CO -0.00 -0.83 0.72 -0.62 0.00 0.00 0.00 175.10 174.37 3g4s s ASP 66 N 1.42 6.37 0.14 3.32 2.15 -0.60 -4.92 116.67 124.56 3g4s s ASP 66 Ca 0.13 -0.22 -0.09 0.00 0.43 0.00 0.00 52.55 52.81 3g4s s ASP 66 Cb -0.20 -2.36 -0.05 0.00 -0.30 0.00 0.00 42.92 40.02 3g4s s ASP 66 CO -0.17 -0.86 1.40 -0.07 -0.17 0.00 0.00 175.17 175.31 3g4s h LEU 67 N 9.94 0.82 -0.14 -1.34 3.38 -1.92 -1.34 115.31 124.70 3g4s h LEU 67 Ca -0.25 -0.49 0.05 0.00 0.09 0.00 0.00 57.88 57.28 3g4s h LEU 67 Cb 1.09 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.54 3g4s h LEU 67 CO 0.93 1.26 -0.31 -0.78 0.09 0.00 0.00 178.44 179.63 3g4s h ASP 68 N 0.52 -0.97 0.34 -0.43 3.58 -1.94 -2.49 116.42 115.03 3g4s h ASP 68 Ca -0.02 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.58 3g4s h ASP 68 Cb 1.25 0.42 0.00 0.00 1.72 0.00 0.00 39.33 42.72 3g4s h ASP 68 CO 0.13 -0.35 -0.54 0.29 -2.88 0.00 0.00 179.24 175.90 3g4s n LYS 69 N -5.40 0.22 -3.17 0.28 5.02 -1.25 -5.00 118.16 108.85 3g4s n LYS 69 Ca -0.03 -0.14 -0.14 0.00 -2.02 0.00 0.00 58.31 55.97 3g4s n LYS 69 Cb 0.32 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 33.91 3g4s n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3g4s n ALA 70 N -1.26 -1.96 -2.68 7.82 0.00 -0.58 -5.07 120.51 116.78 3g4s n ALA 70 Ca 0.07 0.02 -0.09 0.00 0.00 0.00 0.00 53.44 53.43 3g4s n ALA 70 Cb 0.34 -3.34 -0.07 0.00 0.00 0.00 0.00 19.45 16.38 3g4s n ALA 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3g4s s VAL 71 N -3.33 0.08 0.08 0.00 -7.23 -0.77 -4.80 120.40 104.43 3g4s s VAL 71 Ca 0.16 -1.35 0.08 0.00 -1.81 0.00 0.00 61.98 59.06 3g4s s VAL 71 Cb -0.02 -1.76 -0.03 0.00 0.56 0.00 0.00 36.38 35.13 3g4s s VAL 71 CO 0.64 -0.36 -0.22 0.27 -0.31 0.00 0.00 175.10 175.12 3g4s s ILE 72 N -3.95 1.83 -0.15 -0.62 -4.36 -0.11 -1.56 121.20 112.28 3g4s s ILE 72 Ca 0.15 -1.42 -0.07 0.00 -0.26 0.00 0.00 60.65 59.05 3g4s s ILE 72 Cb 0.04 -1.62 -0.04 0.00 1.25 0.00 0.00 42.46 42.09 3g4s s ILE 72 CO -0.02 0.12 0.08 -1.00 0.24 0.00 0.00 174.94 174.36 3g4s s HIS 73 N -0.96 3.34 0.05 1.37 3.76 -0.62 -1.06 115.29 121.17 3g4s s HIS 73 Ca 0.09 0.24 0.07 0.00 -0.15 0.00 0.00 55.06 55.31 3g4s s HIS 73 Cb -0.10 -2.01 -0.03 0.00 1.11 0.00 0.00 32.58 31.56 3g4s s HIS 73 CO 0.03 0.37 -0.20 0.08 -0.85 0.00 0.00 174.74 174.16 3g4s s VAL 74 N -0.18 1.65 0.52 -0.90 1.01 -1.26 -0.40 120.40 120.85 3g4s s VAL 74 Ca 0.08 -1.21 -0.22 0.00 0.00 0.00 0.00 61.98 60.63 3g4s s VAL 74 Cb -0.12 -1.44 -0.06 0.00 0.00 0.00 0.00 36.38 34.77 3g4s s VAL 74 CO 0.01 0.18 1.30 -0.70 0.00 0.00 0.00 175.10 175.89 3g4s s GLU 75 N -1.22 3.32 0.00 2.72 2.12 0.13 -3.00 118.70 122.77 3g4s s GLU 75 Ca 0.07 2.11 0.00 0.00 0.36 0.00 0.00 54.97 57.51 3g4s s GLU 75 Cb -0.09 -2.30 0.00 0.00 0.26 0.00 0.00 34.13 32.00 3g4s s GLU 75 CO 0.02 -1.01 0.00 -0.25 -0.54 0.00 0.00 175.26 173.48 3g4s n ASP 76 N -0.87 -0.31 -4.36 -1.70 8.00 -1.26 -4.60 116.55 111.45 3g4s n ASP 76 Ca 0.09 0.00 -0.45 0.00 0.71 0.00 0.00 54.79 55.14 3g4s n ASP 76 Cb 0.46 -2.09 -0.00 0.00 -0.02 0.00 0.00 41.12 39.46 3g4s n ASP 76 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3g4s s VAL 77 N -1.53 5.76 0.40 2.53 1.01 -1.16 -4.99 120.40 122.42 3g4s s VAL 77 Ca 0.00 -3.08 0.07 0.00 0.00 0.00 0.00 61.98 58.97 3g4s s VAL 77 Cb 0.00 -4.63 -0.07 0.00 0.00 0.00 0.00 36.38 31.68 3g4s s VAL 77 CO 0.00 -1.23 0.08 0.42 0.00 0.00 0.00 175.10 174.37 3g4s s THR 78 N -0.47 2.19 -0.02 3.92 -4.23 -1.26 -2.23 115.64 113.54 3g4s s THR 78 Ca 0.30 -1.87 0.01 0.00 -1.18 0.00 0.00 61.69 58.96 3g4s s THR 78 Cb -0.09 -2.98 0.01 0.00 1.34 0.00 0.00 72.50 70.78 3g4s s THR 78 CO -0.07 -0.02 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.18 3g4s s LEU 79 N -3.79 1.66 -0.20 4.79 1.43 0.72 -4.77 118.68 118.51 3g4s s LEU 79 Ca 0.38 -0.11 -0.21 0.00 -1.03 0.00 0.00 54.13 53.16 3g4s s LEU 79 Cb 0.06 -0.35 -0.02 0.00 0.03 0.00 0.00 46.19 45.91 3g4s s LEU 79 CO 0.20 0.01 0.65 -0.70 0.23 0.00 0.00 176.35 176.73 3g4s s GLU 80 N 0.38 4.21 0.98 1.70 2.12 -1.26 -0.98 118.70 125.84 3g4s s GLU 80 Ca -0.04 0.64 -0.16 0.00 0.36 0.00 0.00 54.97 55.77 3g4s s GLU 80 Cb -0.08 -3.59 0.20 0.00 0.26 0.00 0.00 34.13 30.93 3g4s s GLU 80 CO -0.00 -0.27 1.31 0.15 -0.54 0.00 0.00 175.26 175.91 3g4s s LYS 81 N 2.00 0.52 0.28 4.30 1.02 0.95 -4.96 119.74 123.85 3g4s s LYS 81 Ca 0.29 -0.38 0.02 0.00 0.02 0.00 0.00 55.97 55.92 3g4s s LYS 81 Cb -0.16 -1.83 0.39 0.00 -0.52 0.00 0.00 37.83 35.72 3g4s s LYS 81 CO 0.10 -2.50 1.72 1.15 -0.92 0.00 0.00 175.35 174.90 3g4s h THR 82 N -1.70 1.27 -0.15 2.17 2.02 -1.97 -2.48 112.91 112.06 3g4s h THR 82 Ca -0.44 -1.27 -0.03 0.00 0.77 0.00 0.00 66.41 65.43 3g4s h THR 82 Cb 1.24 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.97 3g4s h THR 82 CO 0.38 0.41 0.04 -0.90 0.37 0.00 0.00 175.52 175.81 3g4s n ASP 83 N -4.12 2.35 0.00 4.18 5.68 -1.26 -4.85 116.55 118.53 3g4s n ASP 83 Ca -0.00 -2.25 0.00 0.00 -0.50 0.00 0.00 54.79 52.04 3g4s n ASP 83 Cb 0.41 -0.55 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 3g4s n ASP 83 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3g4s n GLY 84 N 0.14 2.11 3.77 6.12 0.00 -0.93 -5.00 105.19 111.39 3g4s n GLY 84 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 3g4s n GLY 84 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3g4s s GLU 85 N -0.03 4.29 -0.57 1.61 2.12 -1.26 -4.68 118.70 120.18 3g4s s GLU 85 Ca 0.00 1.92 -0.14 0.00 0.36 0.00 0.00 54.97 57.11 3g4s s GLU 85 Cb 0.00 -2.91 0.14 0.00 0.26 0.00 0.00 34.13 31.62 3g4s s GLU 85 CO 0.00 -0.14 0.50 -1.21 -0.54 0.00 0.00 175.26 173.87 3g4s s GLU 86 N -1.94 2.94 0.23 4.30 2.02 -1.26 -0.04 118.70 124.96 3g4s s GLU 86 Ca 0.52 -1.87 -0.13 0.00 0.02 0.00 0.00 54.97 53.51 3g4s s GLU 86 Cb -0.33 -4.21 -0.08 0.00 0.10 0.00 0.00 34.13 29.61 3g4s s GLU 86 CO 0.43 -1.29 0.61 0.14 0.02 0.00 0.00 175.26 175.17 3g4s s VAL 87 N 1.26 4.82 0.55 2.63 -7.23 -0.16 -4.80 120.40 117.47 3g4s s VAL 87 Ca 0.06 0.73 -0.19 0.00 -1.81 0.00 0.00 61.98 60.77 3g4s s VAL 87 Cb -0.26 -3.66 -0.06 0.00 0.56 0.00 0.00 36.38 32.97 3g4s s VAL 87 CO 0.00 -0.01 1.14 -2.16 -0.31 0.00 0.00 175.10 173.76 3g4s s PRO 88 N -2.60 3.32 -0.28 4.82 0.04 -1.26 -0.20 135.00 138.83 3g4s s PRO 88 Ca 0.47 1.64 -0.10 0.00 0.04 0.00 0.00 61.00 63.04 3g4s s PRO 88 Cb -0.12 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 3g4s s PRO 88 CO 0.20 -0.88 0.16 0.50 0.04 0.00 0.00 177.00 177.02 3g4s s ARG 89 N -3.28 3.77 0.07 4.56 6.06 -0.95 -4.76 118.95 124.43 3g4s s ARG 89 Ca 0.73 -0.43 -0.31 0.00 -2.50 0.00 0.00 55.73 53.22 3g4s s ARG 89 Cb -0.25 -3.59 -0.08 0.00 0.06 0.00 0.00 34.95 31.10 3g4s s ARG 89 CO 0.28 -0.24 1.53 -2.14 -2.50 0.00 0.00 175.30 172.23 3g4s s PRO 90 N 1.71 4.24 0.08 5.12 0.02 -1.26 -4.64 135.00 140.27 3g4s s PRO 90 Ca 0.07 2.20 0.06 0.00 0.02 0.00 0.00 61.00 63.35 3g4s s PRO 90 Cb -0.16 -3.46 -0.04 0.00 0.02 0.00 0.00 34.50 30.86 3g4s s PRO 90 CO 0.09 -0.62 -0.08 -0.51 -0.33 0.00 0.00 177.00 175.54 3g4s s LEU 91 N 2.08 3.10 0.28 -5.54 1.43 -0.22 -4.93 118.68 114.88 3g4s s LEU 91 Ca 0.69 -0.32 -0.20 0.00 -1.03 0.00 0.00 54.13 53.27 3g4s s LEU 91 Cb -0.38 -1.87 -0.09 0.00 0.03 0.00 0.00 46.19 43.89 3g4s s LEU 91 CO 0.30 0.20 0.79 -0.62 0.23 0.00 0.00 176.35 177.25 3g4s s ASP 92 N -2.06 7.04 0.33 2.29 -1.08 -1.26 -0.94 116.67 120.99 3g4s s ASP 92 Ca 0.21 1.49 0.17 0.00 -0.52 0.00 0.00 52.55 53.90 3g4s s ASP 92 Cb -0.11 -2.45 0.39 0.00 -1.46 0.00 0.00 42.92 39.29 3g4s s ASP 92 CO 0.13 -0.07 1.59 0.71 0.52 0.00 0.00 175.17 178.06 3g4s h THR 93 N 2.48 0.83 0.00 1.71 1.35 -1.87 -3.03 112.91 114.39 3g4s h THR 93 Ca -0.48 -1.84 0.00 0.00 -0.55 0.00 0.00 66.41 63.54 3g4s h THR 93 Cb 1.19 2.17 0.00 0.00 -1.73 0.00 0.00 68.15 69.78 3g4s h THR 93 CO 0.65 0.42 0.00 -0.24 -0.25 0.00 0.00 175.52 176.10 3g4s n SER 94 N -3.35 0.00 -0.55 5.36 2.88 -1.26 -1.41 113.62 115.28 3g4s n SER 94 Ca 0.01 -0.70 0.05 0.00 -1.33 0.00 0.00 58.87 56.90 3g4s n SER 94 Cb 0.62 -0.02 0.14 0.00 -0.75 0.00 0.00 64.21 64.20 3g4s n SER 94 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3g4s n ASN 95 N -1.02 2.89 -4.19 -3.46 3.02 -1.15 -4.99 115.26 106.36 3g4s n ASN 95 Ca 0.18 -2.16 -0.14 0.00 -0.03 0.00 0.00 54.58 52.43 3g4s n ASN 95 Cb 0.09 -0.24 -0.10 0.00 -0.61 0.00 0.00 39.78 38.92 3g4s n ASN 95 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3g4s s VAL 96 N -1.29 0.95 -0.03 2.41 0.11 -0.50 -1.39 120.40 120.65 3g4s s VAL 96 Ca 0.22 -1.79 0.01 0.00 -2.93 0.00 0.00 61.98 57.49 3g4s s VAL 96 Cb 0.13 -1.53 0.02 0.00 -1.53 0.00 0.00 36.38 33.47 3g4s s VAL 96 CO 0.12 -0.66 -0.03 -0.60 -3.33 0.00 0.00 175.10 170.60 3g4s s ARG 97 N -3.21 0.57 -0.10 1.54 3.52 0.55 -3.66 118.95 118.16 3g4s s ARG 97 Ca 0.09 -0.04 -0.30 0.00 -0.13 0.00 0.00 55.73 55.35 3g4s s ARG 97 Cb -0.00 -0.64 -0.02 0.00 -1.56 0.00 0.00 34.95 32.74 3g4s s ARG 97 CO -0.01 -0.08 1.06 0.08 -0.81 0.00 0.00 175.30 175.54 3g4s s VAL 98 N 0.82 4.64 -0.22 7.11 1.01 -0.66 0.72 120.40 133.82 3g4s s VAL 98 Ca -0.10 1.93 -0.15 0.00 0.00 0.00 0.00 61.98 63.66 3g4s s VAL 98 Cb -0.13 -4.24 -0.18 0.00 0.00 0.00 0.00 36.38 31.83 3g4s s VAL 98 CO -0.01 -0.01 0.02 0.35 0.00 0.00 0.00 175.10 175.46 3g4s n THR 99 N 4.63 1.57 -4.35 3.92 -2.24 -1.17 -2.60 114.28 114.03 3g4s n THR 99 Ca 0.10 -0.27 -0.19 0.00 -2.27 0.00 0.00 64.05 61.42 3g4s n THR 99 Cb 0.48 -1.90 -0.14 0.00 -2.10 0.00 0.00 70.33 66.67 3g4s n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3g4s s ASP 100 N -7.05 1.37 0.33 3.42 3.68 -1.24 -4.91 116.67 112.27 3g4s s ASP 100 Ca -0.32 -0.35 0.07 0.00 2.13 0.00 0.00 52.55 54.08 3g4s s ASP 100 Cb 0.09 -0.10 -0.02 0.00 -1.45 0.00 0.00 42.92 41.44 3g4s s ASP 100 CO 0.59 0.04 0.38 -0.76 0.13 0.00 0.00 175.17 175.55 3g4s s LEU 101 N -0.81 3.79 -0.32 -1.34 1.43 -1.26 -2.06 118.68 118.11 3g4s s LEU 101 Ca 0.01 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 3g4s s LEU 101 Cb -0.06 -2.48 0.08 0.00 0.03 0.00 0.00 46.19 43.75 3g4s s LEU 101 CO 0.00 -0.38 0.03 -0.62 0.23 0.00 0.00 176.35 175.62 3g4s s ASP 102 N -4.08 4.86 -0.49 2.29 -1.08 -1.26 -4.88 116.67 112.03 3g4s s ASP 102 Ca 0.42 -1.65 0.03 0.00 -0.52 0.00 0.00 52.55 50.83 3g4s s ASP 102 Cb -0.08 -1.69 0.52 0.00 -1.46 0.00 0.00 42.92 40.21 3g4s s ASP 102 CO 0.29 -0.33 1.78 0.18 0.52 0.00 0.00 175.17 177.60 3g4s n LEU 103 N 4.50 6.42 0.28 -1.34 4.77 -1.26 -4.61 117.00 125.75 3g4s n LEU 103 Ca -0.07 -4.10 0.15 0.00 -0.03 0.00 0.00 56.01 51.96 3g4s n LEU 103 Cb 0.42 -0.79 0.77 0.00 -2.33 0.00 0.00 43.42 41.50 3g4s n LEU 103 CO 0.26 1.43 1.00 -0.33 -1.33 0.00 0.00 177.39 178.42 3g4s h GLU 104 N 1.60 0.00 -5.78 3.23 5.08 -2.01 -3.42 114.58 113.28 3g4s h GLU 104 Ca 0.51 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 58.26 3g4s h GLU 104 Cb 1.59 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.77 3g4s h GLU 104 CO 1.14 0.08 -0.28 0.34 -1.00 0.00 0.00 179.01 179.29 3g4s s ASP 105 N -5.87 6.62 0.20 1.42 2.15 -1.26 -4.99 116.67 114.94 3g4s s ASP 105 Ca -0.02 0.74 0.09 0.00 0.43 0.00 0.00 52.55 53.79 3g4s s ASP 105 Cb 0.12 -2.20 0.07 0.00 -0.30 0.00 0.00 42.92 40.60 3g4s s ASP 105 CO 0.55 0.26 1.44 -0.33 -0.17 0.00 0.00 175.17 176.92 3g4s h GLU 106 N 5.44 0.00 -0.01 4.34 5.08 -1.99 -2.85 114.58 124.58 3g4s h GLU 106 Ca -0.49 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.68 3g4s h GLU 106 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 3g4s h GLU 106 CO 0.66 0.79 -0.85 0.87 -1.00 0.00 0.00 179.01 179.48 3g4s h LYS 107 N 0.00 0.28 0.05 2.33 1.57 -1.96 -2.12 116.57 116.72 3g4s h LYS 107 Ca -0.01 -0.28 -0.24 0.00 -1.87 0.00 0.00 60.65 58.25 3g4s h LYS 107 Cb 1.44 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.83 3g4s h LYS 107 CO 0.10 0.97 -1.04 -0.09 -0.57 0.00 0.00 179.45 178.82 3g4s h ARG 108 N 0.16 0.37 0.00 3.15 2.43 -1.96 -1.57 114.38 116.96 3g4s h ARG 108 Ca -0.05 -0.46 -0.08 0.00 -0.81 0.00 0.00 59.98 58.58 3g4s h ARG 108 Cb 1.46 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 31.15 3g4s h ARG 108 CO 0.14 1.15 -0.39 1.49 -1.51 0.00 0.00 179.97 180.84 3g4s h GLU 109 N 0.18 0.00 0.21 0.20 4.81 -1.53 -2.24 114.58 116.21 3g4s h GLU 109 Ca -0.10 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.81 3g4s h GLU 109 Cb 1.71 0.00 0.03 0.00 0.63 0.00 0.00 28.75 31.11 3g4s h GLU 109 CO 0.18 0.39 -1.40 0.00 -0.73 0.00 0.00 179.01 177.45 3g4s h ALA 110 N 1.61 -0.07 -0.07 2.92 0.00 -1.28 -3.22 119.26 119.15 3g4s h ALA 110 Ca -0.00 -0.88 -0.18 0.00 0.00 0.00 0.00 54.91 53.85 3g4s h ALA 110 Cb 0.84 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3g4s h ALA 110 CO 0.05 0.80 -0.72 -0.09 0.00 0.00 0.00 179.25 179.29 3g4s h ARG 111 N 0.12 0.34 -0.04 0.00 2.43 -1.18 -3.21 114.38 112.84 3g4s h ARG 111 Ca -0.21 -0.28 -0.22 0.00 -0.81 0.00 0.00 59.98 58.45 3g4s h ARG 111 Cb 2.10 0.06 0.02 0.00 -0.42 0.00 0.00 29.97 31.73 3g4s h ARG 111 CO 0.25 0.92 -0.85 -0.07 -1.51 0.00 0.00 179.97 178.71 3g4s h LEU 112 N 0.23 0.82 -0.49 3.80 3.38 -1.54 -3.30 115.31 118.21 3g4s h LEU 112 Ca -0.03 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.23 3g4s h LEU 112 Cb 1.29 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3g4s h LEU 112 CO 0.12 1.42 0.00 -0.62 0.09 0.00 0.00 178.44 179.45 3g4s n GLU 113 N -3.98 1.32 -3.85 1.13 1.02 -1.22 -4.74 120.64 110.32 3g4s n GLU 113 Ca -0.10 -0.48 -0.36 0.00 -0.02 0.00 0.00 57.16 56.20 3g4s n GLU 113 Cb 0.79 -1.30 -0.11 0.00 -0.02 0.00 0.00 31.44 30.80 3g4s n GLU 113 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3g4s s SER 114 N -1.49 5.56 0.51 1.62 1.04 -1.21 -5.00 113.70 114.73 3g4s s SER 114 Ca 0.27 -0.02 0.30 0.00 0.48 0.00 0.00 55.95 56.97 3g4s s SER 114 Cb 0.13 -1.98 1.27 0.00 0.10 0.00 0.00 66.02 65.54 3g4s s SER 114 CO 0.21 0.07 1.96 1.05 0.98 0.00 0.00 173.24 177.51 3g4s h GLU 115 N 7.47 0.00 0.14 4.02 4.11 -1.88 -3.22 114.58 125.22 3g4s h GLU 115 Ca -0.37 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 58.76 3g4s h GLU 115 Cb 1.17 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.45 3g4s h GLU 115 CO 0.64 0.10 -1.26 -0.44 0.07 0.00 0.00 179.01 178.12 3g4s h ASP 116 N 0.00 0.87 -2.42 3.06 3.32 -1.94 -3.47 116.42 115.85 3g4s h ASP 116 Ca -0.00 -0.84 -0.46 0.00 0.02 0.00 0.00 57.03 55.75 3g4s h ASP 116 Cb 0.55 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 39.83 3g4s h ASP 116 CO 0.01 1.62 -0.28 -1.81 -1.72 0.00 0.00 179.24 177.06 3g4s s ASP 117 N -7.43 6.18 -0.07 6.45 1.01 -1.22 -5.12 116.67 116.47 3g4s s ASP 117 Ca -0.10 0.19 -0.01 0.00 0.71 0.00 0.00 52.55 53.34 3g4s s ASP 117 Cb 0.05 -1.76 0.03 0.00 1.01 0.00 0.00 42.92 42.25 3g4s s ASP 117 CO 0.93 -0.31 0.00 -0.94 0.21 0.00 0.00 175.17 175.07 3g4s s SER 118 N -4.07 1.45 0.00 0.27 1.04 -1.26 -4.75 113.70 106.37 3g4s s SER 118 Ca 0.40 -0.08 0.14 0.00 0.48 0.00 0.00 55.95 56.90 3g4s s SER 118 Cb -0.09 -0.41 0.11 0.00 0.10 0.00 0.00 66.02 65.72 3g4s s SER 118 CO 0.33 -0.18 0.95 0.00 0.98 0.00 0.00 173.24 175.32