#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k42 s ASP 7 N -0.37 3.68 0.37 0.00 -0.00 -0.29 -5.00 116.67 115.06 3k42 s ASP 7 Ca 0.51 -0.51 -0.27 0.00 -0.00 0.00 0.00 52.55 52.29 3k42 s ASP 7 Cb -0.42 -1.59 -0.09 0.00 -0.00 0.00 0.00 42.92 40.82 3k42 s ASP 7 CO 0.57 0.02 1.21 -0.76 -0.00 0.00 0.00 175.17 176.21 3k42 s LEU 8 N 1.19 4.30 -0.10 1.23 1.43 -1.26 -1.00 118.68 124.47 3k42 s LEU 8 Ca 0.02 2.47 -0.30 0.00 -1.03 0.00 0.00 54.13 55.29 3k42 s LEU 8 Cb -0.14 -3.86 -0.02 0.00 0.03 0.00 0.00 46.19 42.20 3k42 s LEU 8 CO -0.06 -0.60 1.21 -0.69 0.23 0.00 0.00 176.35 176.44 3k42 s VAL 9 N -1.29 4.30 0.00 -1.59 1.01 -0.02 -4.79 120.40 118.03 3k42 s VAL 9 Ca 0.53 1.60 0.00 0.00 0.00 0.00 0.00 61.98 64.12 3k42 s VAL 9 Cb -0.34 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.01 3k42 s VAL 9 CO 0.44 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.10 3k42 n GLY 10 N 3.43 0.87 2.65 4.51 0.00 -1.26 -5.02 105.19 110.37 3k42 n GLY 10 Ca 0.12 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.40 3k42 n GLY 10 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3k42 s GLU 15 N 0.00 0.18 -0.68 1.61 4.04 -1.26 -5.22 118.70 117.37 3k42 s GLU 15 Ca 0.00 -0.16 0.05 0.00 0.04 0.00 0.00 54.97 54.89 3k42 s GLU 15 Cb 0.00 -1.25 0.28 0.00 0.02 0.00 0.00 34.13 33.18 3k42 s GLU 15 CO 0.00 -0.84 0.91 0.45 -1.84 0.00 0.00 175.26 173.94 3k42 n SER 16 N 5.29 4.34 0.16 0.83 2.88 -1.26 -4.95 113.62 120.92 3k42 n SER 16 Ca -0.05 -3.51 0.00 0.00 -1.33 0.00 0.00 58.87 53.98 3k42 n SER 16 Cb 0.46 -0.72 0.01 0.00 -0.75 0.00 0.00 64.21 63.21 3k42 n SER 16 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3k42 n GLU 17 N 0.60 0.02 -0.18 -1.46 1.02 -1.26 0.35 120.64 119.73 3k42 n GLU 17 Ca 0.30 0.47 -0.09 0.00 -0.02 0.00 0.00 57.16 57.82 3k42 n GLU 17 Cb 0.39 -2.28 0.01 0.00 -0.02 0.00 0.00 31.44 29.55 3k42 n GLU 17 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3k42 h LYS 18 N 0.00 0.87 -0.14 3.49 3.64 -2.00 -0.47 116.57 121.96 3k42 h LYS 18 Ca 0.00 -0.25 -0.18 0.00 -1.27 0.00 0.00 60.65 58.96 3k42 h LYS 18 Cb 1.47 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 33.19 3k42 h LYS 18 CO 0.00 0.87 -0.64 1.96 -2.27 0.00 0.00 179.45 179.36 3k42 h GLN 19 N 0.75 0.53 -0.38 1.90 4.20 0.58 -2.59 115.11 120.11 3k42 h GLN 19 Ca 0.16 -0.38 0.02 0.00 0.06 0.00 0.00 58.65 58.51 3k42 h GLN 19 Cb 0.43 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 3k42 h GLN 19 CO 0.01 1.00 0.20 -0.07 -0.67 0.00 0.00 178.83 179.31 3k42 h LEU 20 N 0.39 0.32 -1.10 1.46 3.38 -1.53 -0.32 115.31 117.91 3k42 h LEU 20 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3k42 h LEU 20 Cb 1.21 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 3k42 h LEU 20 CO 0.12 0.23 0.57 0.00 0.09 0.00 0.00 178.44 179.45 3k42 h ALA 21 N 1.18 1.34 -0.69 1.53 0.00 -1.05 -2.06 119.26 119.50 3k42 h ALA 21 Ca 0.16 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3k42 h ALA 21 Cb 0.04 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 3k42 h ALA 21 CO -0.09 0.60 0.32 -0.07 0.00 0.00 0.00 179.25 180.00 3k42 h LEU 22 N 1.21 0.93 -1.13 0.00 3.38 -0.83 0.14 115.31 119.01 3k42 h LEU 22 Ca 0.32 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.16 3k42 h LEU 22 Cb -0.11 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.35 3k42 h LEU 22 CO -0.07 0.81 0.59 -0.07 0.09 0.00 0.00 178.44 179.80 3k42 h LEU 23 N 0.97 1.01 -0.68 1.67 -0.00 -0.42 -1.72 115.31 116.15 3k42 h LEU 23 Ca 0.24 -0.02 -0.13 0.00 -0.00 0.00 0.00 57.88 57.97 3k42 h LEU 23 Cb 0.15 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 40.55 3k42 h LEU 23 CO -0.03 0.72 -0.32 0.11 -0.00 0.00 0.00 178.44 178.92 3k42 h LYS 24 N 1.18 0.67 0.00 1.13 1.57 -0.92 -2.20 116.57 118.00 3k42 h LYS 24 Ca 0.34 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3k42 h LYS 24 Cb -0.09 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 3k42 h LYS 24 CO -0.08 0.90 -0.06 -0.09 -0.57 0.00 0.00 179.45 179.55 3k42 h ARG 25 N 0.57 0.00 -0.01 3.15 2.43 -0.13 -2.47 114.38 117.92 3k42 h ARG 25 Ca 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3k42 h ARG 25 Cb 0.83 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 3k42 h ARG 25 CO 0.07 0.06 -0.52 1.28 -1.51 0.00 0.00 179.97 179.35 3k42 n LEU 26 N -3.45 1.39 0.25 3.80 4.32 -0.82 -4.49 117.00 118.01 3k42 n LEU 26 Ca -0.02 -0.49 0.18 0.00 -0.02 0.00 0.00 56.01 55.66 3k42 n LEU 26 Cb 0.19 -0.06 0.88 0.00 -1.62 0.00 0.00 43.42 42.81 3k42 n LEU 26 CO 0.27 0.27 1.15 0.71 -1.22 0.00 0.00 177.39 178.58 3k42 h THR 27 N 1.38 0.26 0.00 -5.08 1.35 -1.04 0.08 112.91 109.85 3k42 h THR 27 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3k42 h THR 27 Cb 0.61 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 3k42 h THR 27 CO 0.00 0.00 0.00 -2.65 -0.25 0.00 0.00 175.52 172.62 3k42 n PRO 28 N -3.43 0.11 0.00 4.72 -0.02 -1.26 -1.74 135.00 133.38 3k42 n PRO 28 Ca 0.01 0.49 0.10 0.00 -2.02 0.00 0.00 63.50 62.08 3k42 n PRO 28 Cb 0.33 -1.79 -0.07 0.00 -0.02 0.00 0.00 33.50 31.96 3k42 n PRO 28 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3k42 n LEU 29 N -2.02 0.82 -0.25 2.45 4.77 0.01 -4.60 117.00 118.19 3k42 n LEU 29 Ca 0.01 -0.36 0.06 0.00 -0.03 0.00 0.00 56.01 55.68 3k42 n LEU 29 Cb 0.11 -0.04 0.19 0.00 -2.33 0.00 0.00 43.42 41.35 3k42 n LEU 29 CO 0.12 0.20 0.94 -0.26 -1.33 0.00 0.00 177.39 177.06 3k42 h PHE 30 N 0.00 0.30 -0.00 -1.77 -1.00 -1.42 -1.55 116.94 111.50 3k42 h PHE 30 Ca 0.00 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.82 3k42 h PHE 30 Cb 0.56 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.10 3k42 h PHE 30 CO 0.00 -0.08 -0.05 1.04 -1.61 0.00 0.00 178.31 177.61 3k42 n GLN 31 N -5.15 0.40 -2.18 1.51 6.02 -1.26 -4.55 117.38 112.16 3k42 n GLN 31 Ca 0.14 -0.05 -0.30 0.00 -0.01 0.00 0.00 57.00 56.78 3k42 n GLN 31 Cb 0.46 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.23 3k42 n GLN 31 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3k42 s LYS 32 N -2.64 3.62 -0.07 -1.09 1.02 -0.58 -5.08 119.74 114.92 3k42 s LYS 32 Ca 0.25 0.59 0.02 0.00 0.02 0.00 0.00 55.97 56.86 3k42 s LYS 32 Cb 0.20 -2.19 0.01 0.00 -0.52 0.00 0.00 37.83 35.34 3k42 s LYS 32 CO 0.49 -0.41 -0.12 0.45 -0.92 0.00 0.00 175.35 174.83 3k42 s SER 33 N -4.02 1.85 -0.06 2.83 0.15 -1.26 -4.67 113.70 108.53 3k42 s SER 33 Ca 0.53 -0.31 0.03 0.00 0.70 0.00 0.00 55.95 56.90 3k42 s SER 33 Cb -0.11 -0.84 -0.03 0.00 -1.71 0.00 0.00 66.02 63.33 3k42 s SER 33 CO 0.48 0.02 -0.13 -0.36 1.20 0.00 0.00 173.24 174.45 3k42 s PHE 34 N 0.77 2.74 -0.01 3.44 0.40 -0.80 -5.03 117.98 119.49 3k42 s PHE 34 Ca -0.12 -0.17 -0.07 0.00 -0.60 0.00 0.00 56.93 55.96 3k42 s PHE 34 Cb -0.15 -1.66 0.01 0.00 0.51 0.00 0.00 43.02 41.72 3k42 s PHE 34 CO 0.02 0.17 0.15 -2.00 0.70 0.00 0.00 175.22 174.27 3k42 s GLU 35 N -0.65 0.42 -0.18 0.44 -6.30 -1.26 -1.08 118.70 110.09 3k42 s GLU 35 Ca 0.10 -0.25 -0.12 0.00 -2.50 0.00 0.00 54.97 52.20 3k42 s GLU 35 Cb -0.11 0.18 0.06 0.00 0.00 0.00 0.00 34.13 34.26 3k42 s GLU 35 CO 0.01 -0.10 0.46 0.45 0.02 0.00 0.00 175.26 176.10 3k42 s SER 36 N -1.04 -0.56 -0.14 -1.70 0.15 -0.42 -4.86 113.70 105.13 3k42 s SER 36 Ca -0.11 0.98 -0.01 0.00 0.70 0.00 0.00 55.95 57.51 3k42 s SER 36 Cb -0.06 0.90 -0.02 0.00 -1.71 0.00 0.00 66.02 65.13 3k42 s SER 36 CO 0.01 -0.19 -0.11 -0.89 1.20 0.00 0.00 173.24 173.27 3k42 s THR 37 N 1.10 3.28 0.11 6.45 2.01 -1.26 -0.23 115.64 127.10 3k42 s THR 37 Ca -0.07 -0.58 0.06 0.00 0.31 0.00 0.00 61.69 61.41 3k42 s THR 37 Cb -0.06 -2.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 3k42 s THR 37 CO -0.10 0.52 -0.15 0.68 -0.69 0.00 0.00 174.62 174.88 3k42 s VAL 38 N 0.35 1.36 0.00 3.82 -7.23 -0.36 -5.00 120.40 113.34 3k42 s VAL 38 Ca -0.09 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 3k42 s VAL 38 Cb -0.15 -1.48 0.00 0.00 0.56 0.00 0.00 36.38 35.31 3k42 s VAL 38 CO 0.05 -0.35 0.00 0.61 -0.31 0.00 0.00 175.10 175.10 3k42 n GLY 39 N 0.68 0.94 3.80 2.32 0.00 -1.26 -1.89 105.19 109.78 3k42 n GLY 39 Ca -0.17 -1.76 -0.24 0.00 0.00 0.00 0.00 46.02 43.86 3k42 n GLY 39 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3k42 s GLN 40 N -3.14 2.33 1.14 1.61 0.00 -0.82 -4.72 119.66 116.06 3k42 s GLN 40 Ca 0.00 -1.76 -0.18 0.00 -0.00 0.00 0.00 55.36 53.42 3k42 s GLN 40 Cb 0.00 -2.12 0.14 0.00 0.00 0.00 0.00 33.01 31.03 3k42 s GLN 40 CO 0.00 -0.18 0.13 -1.13 0.00 0.00 0.00 175.29 174.12 3k42 n SER 41 N -1.37 -2.46 0.00 12.60 3.41 -1.26 -2.75 113.62 121.79 3k42 n SER 41 Ca 0.00 -0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 3k42 n SER 41 Cb 0.64 -0.96 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 3k42 n SER 41 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3k42 n PRO 42 N -2.44 0.00 0.00 4.33 -0.02 -1.26 -4.91 135.00 130.70 3k42 n PRO 42 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 3k42 n PRO 42 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.07 3k42 n PRO 42 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3k42 n ASP 43 N 0.00 0.00 -3.60 2.55 8.00 -1.11 -5.16 116.55 117.24 3k42 n ASP 43 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.48 3k42 n ASP 43 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 3k42 n ASP 43 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3k42 s MET 44 N -0.46 0.46 0.02 -1.24 -1.94 -1.24 -1.95 119.30 112.95 3k42 s MET 44 Ca 0.00 0.88 0.06 0.00 -1.71 0.00 0.00 55.69 54.93 3k42 s MET 44 Cb 0.00 0.25 -0.02 0.00 2.01 0.00 0.00 34.83 37.07 3k42 s MET 44 CO 0.00 -0.11 -0.18 0.71 -0.01 0.00 0.00 175.02 175.42 3k42 s TYR 45 N 1.80 1.62 -0.14 -0.03 1.51 -0.79 -1.46 117.35 119.84 3k42 s TYR 45 Ca -0.08 -0.34 0.00 0.00 -1.01 0.00 0.00 57.07 55.64 3k42 s TYR 45 Cb -0.05 -0.99 -0.01 0.00 -0.11 0.00 0.00 41.96 40.80 3k42 s TYR 45 CO -0.17 0.04 -0.15 0.45 -1.11 0.00 0.00 175.55 174.61 3k42 s SER 46 N -0.91 3.76 -0.19 2.29 0.15 -0.17 -1.23 113.70 117.39 3k42 s SER 46 Ca 0.06 -0.43 -0.05 0.00 0.70 0.00 0.00 55.95 56.23 3k42 s SER 46 Cb -0.08 -1.57 -0.03 0.00 -1.71 0.00 0.00 66.02 62.63 3k42 s SER 46 CO 0.01 0.11 0.00 -0.31 1.20 0.00 0.00 173.24 174.26 3k42 s TYR 47 N 0.65 3.06 -0.17 3.44 1.51 0.68 -0.29 117.35 126.23 3k42 s TYR 47 Ca -0.08 -0.36 -0.01 0.00 -1.01 0.00 0.00 57.07 55.61 3k42 s TYR 47 Cb -0.16 -2.07 -0.00 0.00 -0.11 0.00 0.00 41.96 39.62 3k42 s TYR 47 CO 0.02 -0.16 -0.13 0.08 -1.11 0.00 0.00 175.55 174.26 3k42 s VAL 48 N 0.84 2.81 0.01 0.71 1.01 -0.48 -1.31 120.40 123.99 3k42 s VAL 48 Ca 0.01 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.34 3k42 s VAL 48 Cb -0.14 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 3k42 s VAL 48 CO 0.02 0.50 -0.20 0.12 0.00 0.00 0.00 175.10 175.54 3k42 s PHE 49 N 1.01 1.76 0.00 5.22 5.36 -0.24 -0.91 117.98 130.18 3k42 s PHE 49 Ca -0.01 -0.35 -0.07 0.00 -0.96 0.00 0.00 56.93 55.53 3k42 s PHE 49 Cb -0.15 -1.09 0.00 0.00 -0.34 0.00 0.00 43.02 41.45 3k42 s PHE 49 CO -0.02 0.03 0.14 1.03 -1.46 0.00 0.00 175.22 174.93 3k42 s ARG 50 N -0.82 0.49 -0.43 10.12 0.52 -0.37 -1.91 118.95 126.53 3k42 s ARG 50 Ca 0.07 -0.41 -0.18 0.00 -0.52 0.00 0.00 55.73 54.69 3k42 s ARG 50 Cb -0.08 0.20 0.03 0.00 0.52 0.00 0.00 34.95 35.62 3k42 s ARG 50 CO 0.01 -0.12 0.50 0.08 0.02 0.00 0.00 175.30 175.79 3k42 s VAL 51 N -1.41 5.01 -1.45 3.52 1.01 -1.26 -4.35 120.40 121.47 3k42 s VAL 51 Ca -0.15 -0.28 -0.09 0.00 0.00 0.00 0.00 61.98 61.47 3k42 s VAL 51 Cb -0.08 -4.10 0.04 0.00 0.00 0.00 0.00 36.38 32.25 3k42 s VAL 51 CO 0.02 -0.50 0.75 0.00 0.00 0.00 0.00 175.10 175.36 3k42 s ARG 53 N -6.09 0.78 0.06 0.00 1.81 -1.26 -4.32 118.95 109.93 3k42 s ARG 53 Ca 0.46 -0.32 -0.35 0.00 -1.72 0.00 0.00 55.73 53.79 3k42 s ARG 53 Cb -0.22 0.35 -0.14 0.00 -0.45 0.00 0.00 34.95 34.48 3k42 s ARG 53 CO 0.56 -0.24 1.58 0.39 -0.68 0.00 0.00 175.30 176.92 3k42 n GLU 54 N 0.85 1.82 -0.06 3.54 -0.58 -1.26 -4.52 120.64 120.44 3k42 n GLU 54 Ca -0.20 0.66 -0.06 0.00 -0.42 0.00 0.00 57.16 57.14 3k42 n GLU 54 Cb 0.58 -2.40 -0.10 0.00 -0.57 0.00 0.00 31.44 28.94 3k42 n GLU 54 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3k42 n ALA 55 N 3.90 1.68 -1.99 0.62 0.00 -0.31 -4.90 120.51 119.51 3k42 n ALA 55 Ca 0.19 -0.85 -0.21 0.00 0.00 0.00 0.00 53.44 52.57 3k42 n ALA 55 Cb 0.25 -0.02 0.06 0.00 0.00 0.00 0.00 19.45 19.74 3k42 n ALA 55 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3k42 s GLY 56 N -4.60 1.80 0.00 0.00 0.00 -1.26 -4.80 107.32 98.47 3k42 s GLY 56 Ca -0.07 -1.63 0.02 0.00 0.00 0.00 0.00 44.72 43.04 3k42 s GLY 56 CO 0.53 -1.23 0.64 -1.06 0.00 0.00 0.00 173.10 171.97 3k42 n GLN 57 N -2.44 -0.10 -0.35 2.90 6.02 -1.26 -4.57 117.38 117.58 3k42 n GLN 57 Ca 0.12 -0.77 0.01 0.00 -0.01 0.00 0.00 57.00 56.34 3k42 n GLN 57 Cb 0.60 -1.03 0.01 0.00 1.02 0.00 0.00 30.24 30.84 3k42 n GLN 57 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3k42 n HIS 58 N 0.01 0.00 -4.46 1.08 8.25 -1.26 -5.09 115.22 113.75 3k42 n HIS 58 Ca 0.01 -0.06 -0.22 0.00 -0.26 0.00 0.00 57.72 57.19 3k42 n HIS 58 Cb 0.08 -0.04 -0.11 0.00 1.12 0.00 0.00 29.99 31.04 3k42 n HIS 58 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3k42 s SER 59 N -0.87 2.60 -0.14 0.41 1.04 -1.26 -5.11 113.70 110.37 3k42 s SER 59 Ca 0.02 -1.34 -0.03 0.00 0.48 0.00 0.00 55.95 55.07 3k42 s SER 59 Cb 0.01 -0.13 0.05 0.00 0.10 0.00 0.00 66.02 66.05 3k42 s SER 59 CO 0.00 -0.55 0.05 -0.55 0.98 0.00 0.00 173.24 173.17 3k42 s SER 60 N -3.50 2.19 0.00 7.02 0.15 -1.26 -4.78 113.70 113.51 3k42 s SER 60 Ca 0.35 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.54 3k42 s SER 60 Cb 0.08 -0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.00 3k42 s SER 60 CO 0.15 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.92 3k42 n GLY 61 N 5.18 0.75 3.73 9.45 0.00 -1.26 -5.05 105.19 117.99 3k42 n GLY 61 Ca -0.07 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 3k42 n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k42 s ALA 62 N -2.00 3.31 -0.14 4.61 0.00 -1.26 -2.14 121.76 124.14 3k42 s ALA 62 Ca 0.00 0.72 0.18 0.00 0.00 0.00 0.00 51.96 52.86 3k42 s ALA 62 Cb 0.00 -3.34 -0.25 0.00 0.00 0.00 0.00 23.12 19.53 3k42 s ALA 62 CO 0.00 -0.19 0.30 0.41 0.00 0.00 0.00 175.76 176.28 3k42 n GLY 63 N 2.38 -1.02 3.34 0.00 0.00 0.50 -1.16 105.19 109.22 3k42 n GLY 63 Ca 0.04 -0.29 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 3k42 n GLY 63 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k42 s LEU 64 N -5.48 -0.34 0.16 0.99 0.20 -1.11 -1.24 118.68 111.86 3k42 s LEU 64 Ca -0.08 1.02 0.08 0.00 0.69 0.00 0.00 54.13 55.84 3k42 s LEU 64 Cb 0.08 1.53 -0.04 0.00 -0.43 0.00 0.00 46.19 47.32 3k42 s LEU 64 CO 0.84 -0.21 -0.16 0.68 -0.29 0.00 0.00 176.35 177.21 3k42 s VAL 65 N 1.68 1.70 -0.14 1.68 -7.23 -0.09 -0.98 120.40 117.01 3k42 s VAL 65 Ca -0.08 -1.94 -0.01 0.00 -1.81 0.00 0.00 61.98 58.13 3k42 s VAL 65 Cb -0.09 -1.82 -0.02 0.00 0.56 0.00 0.00 36.38 35.01 3k42 s VAL 65 CO -0.14 -0.40 -0.09 -1.58 -0.31 0.00 0.00 175.10 172.58 3k42 s GLN 66 N -2.96 3.50 -0.22 4.82 0.74 0.10 -1.39 119.66 124.26 3k42 s GLN 66 Ca 0.16 -0.62 0.01 0.00 0.05 0.00 0.00 55.36 54.96 3k42 s GLN 66 Cb -0.04 -2.74 0.05 0.00 1.10 0.00 0.00 33.01 31.37 3k42 s GLN 66 CO 0.06 0.23 -0.11 0.42 -0.55 0.00 0.00 175.29 175.34 3k42 s ILE 67 N 0.35 1.81 -0.19 -2.34 1.01 0.61 0.23 121.20 122.67 3k42 s ILE 67 Ca -0.08 -1.20 -0.29 0.00 0.00 0.00 0.00 60.65 59.07 3k42 s ILE 67 Cb -0.15 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.39 3k42 s ILE 67 CO 0.05 0.11 1.68 -1.58 0.00 0.00 0.00 174.94 175.19 3k42 s GLN 68 N 1.31 3.81 0.43 2.79 0.74 -0.15 -1.00 119.66 127.58 3k42 s GLN 68 Ca -0.03 1.79 0.20 0.00 0.05 0.00 0.00 55.36 57.37 3k42 s GLN 68 Cb -0.17 -4.06 0.97 0.00 1.10 0.00 0.00 33.01 30.85 3k42 s GLN 68 CO -0.07 -1.28 1.89 0.87 -0.55 0.00 0.00 175.29 176.14 3k42 h LYS 69 N 10.89 0.00 -0.48 1.67 1.57 -1.59 0.89 116.57 129.52 3k42 h LYS 69 Ca -0.36 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.36 3k42 h LYS 69 Cb 1.17 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 3k42 h LYS 69 CO 0.99 0.27 0.03 0.66 -0.57 0.00 0.00 179.45 180.84 3k42 h SER 70 N 0.00 0.73 0.00 0.86 4.64 -1.90 -3.36 113.55 114.52 3k42 h SER 70 Ca -0.00 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3k42 h SER 70 Cb 0.61 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3k42 h SER 70 CO 0.04 0.78 0.00 -0.46 -0.87 0.00 0.00 176.83 176.31 3k42 n ASN 71 N -4.24 0.16 -0.01 4.97 0.23 -1.15 -5.03 115.26 110.18 3k42 n ASN 71 Ca 0.03 -0.99 -0.00 0.00 -0.53 0.00 0.00 54.58 53.08 3k42 n ASN 71 Cb 0.27 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 37.97 3k42 n ASN 71 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3k42 n GLY 72 N 0.00 0.47 3.66 4.83 0.00 0.31 -4.98 105.19 109.49 3k42 n GLY 72 Ca 0.00 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 3k42 n GLY 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3k42 s LYS 73 N -0.46 4.15 -0.31 1.61 2.20 -1.22 -4.66 119.74 121.04 3k42 s LYS 73 Ca 0.00 2.55 -0.09 0.00 -0.36 0.00 0.00 55.97 58.07 3k42 s LYS 73 Cb 0.00 -4.08 -0.00 0.00 -1.51 0.00 0.00 37.83 32.23 3k42 s LYS 73 CO 0.00 -0.93 0.14 -2.00 -0.36 0.00 0.00 175.35 172.20 3k42 s GLU 74 N 4.23 3.30 -0.16 4.03 2.12 -1.26 -0.98 118.70 129.98 3k42 s GLU 74 Ca 0.85 -0.74 -0.06 0.00 0.36 0.00 0.00 54.97 55.39 3k42 s GLU 74 Cb -0.42 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.41 3k42 s GLU 74 CO 0.39 -0.42 0.02 0.99 -0.54 0.00 0.00 175.26 175.71 3k42 s THR 75 N 1.59 4.43 -0.32 -1.70 2.01 0.14 -4.93 115.64 116.86 3k42 s THR 75 Ca 0.04 -0.17 -0.27 0.00 0.31 0.00 0.00 61.69 61.60 3k42 s THR 75 Cb -0.17 -2.96 0.01 0.00 0.01 0.00 0.00 72.50 69.39 3k42 s THR 75 CO 0.06 0.49 0.97 -0.69 -0.69 0.00 0.00 174.62 174.76 3k42 s VAL 76 N 0.21 4.60 0.03 3.82 1.01 -1.26 0.01 120.40 128.82 3k42 s VAL 76 Ca 0.02 1.50 -0.00 0.00 0.00 0.00 0.00 61.98 63.49 3k42 s VAL 76 Cb -0.13 -4.33 -0.26 0.00 0.00 0.00 0.00 36.38 31.66 3k42 s VAL 76 CO 0.01 -0.42 0.94 0.58 0.00 0.00 0.00 175.10 176.22 3k42 h VAL 77 N 5.71 1.26 -1.96 2.92 2.07 -1.41 0.73 116.25 125.57 3k42 h VAL 77 Ca -0.22 -2.92 0.04 0.00 0.82 0.00 0.00 66.70 64.42 3k42 h VAL 77 Cb 1.07 2.77 -0.19 0.00 -1.52 0.00 0.00 31.29 33.42 3k42 h VAL 77 CO 0.98 0.82 0.42 -0.83 0.02 0.00 0.00 177.57 178.98 3k42 s GLY 78 N -4.89 -0.42 -0.02 2.17 0.00 -1.15 -1.85 107.32 101.16 3k42 s GLY 78 Ca -0.06 1.48 0.04 0.00 0.00 0.00 0.00 44.72 46.18 3k42 s GLY 78 CO 0.85 0.78 -0.13 0.50 0.00 0.00 0.00 173.10 175.10 3k42 s ARG 79 N -1.81 2.44 0.00 2.90 0.52 0.72 -0.37 118.95 123.35 3k42 s ARG 79 Ca -0.02 -0.75 0.21 0.00 -0.52 0.00 0.00 55.73 54.65 3k42 s ARG 79 Cb -0.01 -2.38 1.17 0.00 0.52 0.00 0.00 34.95 34.25 3k42 s ARG 79 CO 0.00 0.60 1.76 1.97 0.02 0.00 0.00 175.30 179.66 3k42 n PHE 80 N 1.96 0.03 1.32 -0.53 1.16 -0.91 -2.56 117.46 117.93 3k42 n PHE 80 Ca -0.17 -0.02 0.13 0.00 -1.87 0.00 0.00 57.45 55.53 3k42 n PHE 80 Cb 0.52 0.00 0.45 0.00 -1.61 0.00 0.00 39.48 38.84 3k42 n PHE 80 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 3k42 n ASN 81 N -0.63 1.02 -3.22 5.98 6.94 -1.26 -1.14 115.26 122.95 3k42 n ASN 81 Ca 0.16 -0.96 -0.24 0.00 -0.02 0.00 0.00 54.58 53.52 3k42 n ASN 81 Cb 0.12 0.08 -0.06 0.00 -2.36 0.00 0.00 39.78 37.55 3k42 n ASN 81 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3k42 n GLU 82 N -0.55 1.47 -3.98 -3.83 1.02 -1.06 -4.41 120.64 109.31 3k42 n GLU 82 Ca 0.14 -3.78 -0.32 0.00 -0.02 0.00 0.00 57.16 53.18 3k42 n GLU 82 Cb 0.34 -1.67 -0.05 0.00 -0.02 0.00 0.00 31.44 30.03 3k42 n GLU 82 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3k42 s THR 83 N -2.09 5.09 0.00 2.62 2.01 -0.17 -1.75 115.64 121.35 3k42 s THR 83 Ca 0.39 -0.42 0.00 0.00 0.31 0.00 0.00 61.69 61.97 3k42 s THR 83 Cb 0.21 -3.42 -0.00 0.00 0.01 0.00 0.00 72.50 69.30 3k42 s THR 83 CO -0.08 0.22 -0.02 -1.10 -0.69 0.00 0.00 174.62 172.95 3k42 s GLN 84 N -2.20 0.15 -0.14 4.92 -0.21 -0.65 -0.84 119.66 120.69 3k42 s GLN 84 Ca 0.30 -0.14 -0.11 0.00 0.02 0.00 0.00 55.36 55.42 3k42 s GLN 84 Cb -0.13 -0.08 0.04 0.00 1.00 0.00 0.00 33.01 33.84 3k42 s GLN 84 CO 0.22 0.02 0.36 -1.50 -2.12 0.00 0.00 175.29 172.27 3k42 s ILE 85 N -0.26 -0.01 0.06 1.08 2.07 -1.26 -0.85 121.20 122.03 3k42 s ILE 85 Ca -0.02 0.04 0.03 0.00 -1.41 0.00 0.00 60.65 59.28 3k42 s ILE 85 Cb -0.02 -0.52 -0.03 0.00 0.13 0.00 0.00 42.46 42.02 3k42 s ILE 85 CO -0.00 0.01 -0.09 -0.36 -1.91 0.00 0.00 174.94 172.59 3k42 s PHE 86 N 0.57 0.83 -0.11 3.50 0.40 -0.30 -4.74 117.98 118.12 3k42 s PHE 86 Ca -0.03 -0.54 0.03 0.00 -0.60 0.00 0.00 56.93 55.78 3k42 s PHE 86 Cb -0.05 -0.48 0.01 0.00 0.51 0.00 0.00 43.02 43.01 3k42 s PHE 86 CO -0.03 -0.06 -0.19 -1.14 0.70 0.00 0.00 175.22 174.50 3k42 s GLN 87 N -1.93 2.54 0.00 0.44 0.74 -1.26 0.11 119.66 120.30 3k42 s GLN 87 Ca -0.05 -0.69 0.00 0.00 0.05 0.00 0.00 55.36 54.67 3k42 s GLN 87 Cb -0.08 -2.05 0.00 0.00 1.10 0.00 0.00 33.01 31.98 3k42 s GLN 87 CO 0.00 0.02 0.00 0.41 -0.55 0.00 0.00 175.29 175.17 3k42 n GLY 88 N 3.94 1.95 0.23 2.59 0.00 0.14 -5.00 105.19 109.04 3k42 n GLY 88 Ca -0.20 -2.10 -0.10 0.00 0.00 0.00 0.00 46.02 43.63 3k42 n GLY 88 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3k42 h SER 89 N 0.00 0.71 -0.04 1.61 4.64 -2.00 -3.36 113.55 115.11 3k42 h SER 89 Ca 0.00 -0.27 -0.18 0.00 -0.47 0.00 0.00 61.79 60.87 3k42 h SER 89 Cb 0.00 -0.19 -0.38 0.00 -0.31 0.00 0.00 62.40 61.52 3k42 h SER 89 CO 0.00 0.81 -1.02 -0.46 -0.87 0.00 0.00 176.83 175.28 3k42 n ASN 90 N -4.46 1.10 -3.66 4.97 6.94 -1.26 -4.14 115.26 114.74 3k42 n ASN 90 Ca 0.00 -2.09 -0.10 0.00 -0.02 0.00 0.00 54.58 52.37 3k42 n ASN 90 Cb 0.26 -0.33 -0.04 0.00 -2.36 0.00 0.00 39.78 37.32 3k42 n ASN 90 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 3k42 s TRP 91 N -0.49 -0.20 -0.05 -2.53 1.48 -1.15 -0.13 118.94 115.86 3k42 s TRP 91 Ca 0.34 -0.12 0.01 0.00 -1.06 0.00 0.00 56.10 55.26 3k42 s TRP 91 Cb 0.38 0.37 0.02 0.00 -1.16 0.00 0.00 33.47 33.09 3k42 s TRP 91 CO -0.15 -0.84 -0.04 0.42 -4.06 0.00 0.00 176.95 172.28 3k42 s ILE 92 N -3.84 0.50 -0.24 0.66 1.01 0.34 0.26 121.20 119.90 3k42 s ILE 92 Ca 0.06 -0.08 -0.09 0.00 0.00 0.00 0.00 60.65 60.54 3k42 s ILE 92 Cb -0.00 -0.55 -0.04 0.00 0.01 0.00 0.00 42.46 41.88 3k42 s ILE 92 CO -0.07 0.23 0.12 -0.32 0.00 0.00 0.00 174.94 174.89 3k42 s MET 93 N 1.06 3.89 -0.13 2.79 -2.45 0.12 -0.83 119.30 123.74 3k42 s MET 93 Ca -0.09 -0.37 0.01 0.00 -1.25 0.00 0.00 55.69 53.99 3k42 s MET 93 Cb -0.14 -3.43 -0.01 0.00 1.25 0.00 0.00 34.83 32.50 3k42 s MET 93 CO -0.01 -0.04 -0.15 -1.17 1.05 0.00 0.00 175.02 174.71 3k42 s LEU 94 N 1.27 2.60 -0.08 4.11 2.96 -0.40 -1.15 118.68 127.98 3k42 s LEU 94 Ca 0.06 -0.38 0.03 0.00 -0.22 0.00 0.00 54.13 53.62 3k42 s LEU 94 Cb -0.14 -1.58 0.01 0.00 0.50 0.00 0.00 46.19 44.98 3k42 s LEU 94 CO 0.05 0.16 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.44 3k42 s ILE 95 N 0.39 1.45 -0.26 6.68 1.01 -0.03 -0.40 121.20 130.04 3k42 s ILE 95 Ca -0.12 -0.66 -0.00 0.00 0.00 0.00 0.00 60.65 59.87 3k42 s ILE 95 Cb -0.16 -1.29 0.04 0.00 0.01 0.00 0.00 42.46 41.06 3k42 s ILE 95 CO 0.06 0.42 -0.06 -0.31 0.00 0.00 0.00 174.94 175.05 3k42 s TYR 96 N 0.54 3.16 0.36 3.97 4.12 0.38 -1.64 117.35 128.23 3k42 s TYR 96 Ca -0.16 -1.85 0.06 0.00 0.02 0.00 0.00 57.07 55.14 3k42 s TYR 96 Cb -0.16 -2.03 0.06 0.00 -1.52 0.00 0.00 41.96 38.30 3k42 s TYR 96 CO 0.05 -0.80 0.47 1.63 0.02 0.00 0.00 175.55 176.93 3k42 n LYS 97 N 4.59 0.78 -1.42 -0.62 5.02 -0.71 -0.38 118.16 125.42 3k42 n LYS 97 Ca -0.15 -1.96 -0.07 0.00 -2.02 0.00 0.00 58.31 54.11 3k42 n LYS 97 Cb 0.45 -0.10 -0.02 0.00 -0.02 0.00 0.00 35.03 35.33 3k42 n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k42 n GLY 98 N 0.65 0.74 3.67 0.72 0.00 -1.24 -0.20 105.19 109.54 3k42 n GLY 98 Ca 0.09 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 3k42 n GLY 98 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k42 s GLY 99 N -2.87 1.61 0.49 -0.02 0.00 -0.28 -4.55 107.32 101.70 3k42 s GLY 99 Ca 0.00 -0.87 -0.24 0.00 0.00 0.00 0.00 44.72 43.62 3k42 s GLY 99 CO 0.00 -0.07 1.37 0.99 0.00 0.00 0.00 173.10 175.40 3k42 s ASP 100 N -3.99 5.66 0.30 1.64 1.01 0.25 -2.97 116.67 118.57 3k42 s ASP 100 Ca 0.70 2.79 -0.29 0.00 0.71 0.00 0.00 52.55 56.47 3k42 s ASP 100 Cb -0.11 -2.64 -0.10 0.00 1.01 0.00 0.00 42.92 41.09 3k42 s ASP 100 CO 0.56 -1.31 1.12 -1.61 0.21 0.00 0.00 175.17 174.13 3k42 s GLU 101 N -2.65 4.55 0.42 8.23 2.02 -1.26 -0.95 118.70 129.07 3k42 s GLU 101 Ca 0.65 1.82 -0.26 0.00 0.02 0.00 0.00 54.97 57.20 3k42 s GLU 101 Cb -0.41 -3.10 -0.09 0.00 0.10 0.00 0.00 34.13 30.62 3k42 s GLU 101 CO 0.51 0.12 1.46 0.71 0.02 0.00 0.00 175.26 178.08 3k42 s TYR 102 N -1.21 2.50 -0.11 1.61 2.02 -0.79 -4.90 117.35 116.47 3k42 s TYR 102 Ca 0.46 1.22 -0.25 0.00 -0.37 0.00 0.00 57.07 58.14 3k42 s TYR 102 Cb -0.32 -3.97 -0.21 0.00 -0.40 0.00 0.00 41.96 37.06 3k42 s TYR 102 CO 0.41 -2.99 0.78 -0.44 -1.57 0.00 0.00 175.55 171.74 3k42 h ASP 103 N 2.58 -0.02 -0.94 2.29 3.32 -1.93 -3.38 116.42 118.35 3k42 h ASP 103 Ca -0.51 -0.75 -0.35 0.00 0.02 0.00 0.00 57.03 55.44 3k42 h ASP 103 Cb 1.26 0.01 -0.40 0.00 0.22 0.00 0.00 39.33 40.41 3k42 h ASP 103 CO 0.62 0.81 -1.19 -0.46 -1.72 0.00 0.00 179.24 177.30 3k42 n ASN 104 N -4.70 1.48 -3.67 6.45 2.04 -1.26 -4.85 115.26 110.76 3k42 n ASN 104 Ca -0.09 -2.64 -0.10 0.00 -0.44 0.00 0.00 54.58 51.31 3k42 n ASN 104 Cb 0.37 -0.52 -0.03 0.00 -2.53 0.00 0.00 39.78 37.07 3k42 n ASN 104 CO 0.00 0.00 0.00 -1.00 -0.44 0.00 0.00 177.26 175.82 3k42 s HIS 105 N -3.20 -0.25 -1.34 -2.53 3.76 -1.26 -5.00 115.29 105.46 3k42 s HIS 105 Ca 0.27 -0.07 -0.00 0.00 -0.15 0.00 0.00 55.06 55.11 3k42 s HIS 105 Cb 0.44 0.49 0.00 0.00 1.11 0.00 0.00 32.58 34.63 3k42 s HIS 105 CO 0.03 -0.95 0.01 0.00 -0.85 0.00 0.00 174.74 172.98 3k42 n GLY 107 N -2.37 0.07 3.66 0.00 0.00 -1.26 -2.38 105.19 102.91 3k42 n GLY 107 Ca -0.28 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 3k42 n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k42 n ARG 108 N -2.70 -3.25 -2.27 1.61 1.74 0.38 -4.93 116.66 107.24 3k42 n ARG 108 Ca -0.19 0.41 -0.28 0.00 -0.77 0.00 0.00 57.85 57.01 3k42 n ARG 108 Cb 0.63 -5.12 0.02 0.00 -1.02 0.00 0.00 32.46 26.97 3k42 n ARG 108 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 3k42 s GLU 109 N -6.32 3.21 0.24 5.56 -1.05 -1.00 -4.30 118.70 115.03 3k42 s GLU 109 Ca 0.52 0.28 -0.30 0.00 -0.15 0.00 0.00 54.97 55.32 3k42 s GLU 109 Cb -0.28 -2.22 -0.10 0.00 -0.44 0.00 0.00 34.13 31.09 3k42 s GLU 109 CO 0.64 -0.60 1.49 -0.65 0.95 0.00 0.00 175.26 177.09 3k42 s GLN 110 N -5.03 4.23 0.82 -4.83 -0.21 -1.26 -1.89 119.66 111.49 3k42 s GLN 110 Ca 0.53 2.37 -0.12 0.00 0.02 0.00 0.00 55.36 58.16 3k42 s GLN 110 Cb -0.11 -3.10 0.09 0.00 1.00 0.00 0.00 33.01 30.89 3k42 s GLN 110 CO 0.48 -0.49 1.14 1.03 -2.12 0.00 0.00 175.29 175.33 3k42 s ARG 111 N -0.14 1.73 -0.05 2.91 0.52 -0.12 -4.74 118.95 119.06 3k42 s ARG 111 Ca 0.62 1.49 -0.05 0.00 -0.52 0.00 0.00 55.73 57.27 3k42 s ARG 111 Cb -0.43 -1.81 0.01 0.00 0.52 0.00 0.00 34.95 33.24 3k42 s ARG 111 CO 0.42 -2.09 0.14 0.50 0.02 0.00 0.00 175.30 174.29 3k42 s ARG 112 N -4.50 0.19 -0.13 3.54 3.52 -0.77 -1.12 118.95 119.68 3k42 s ARG 112 Ca 0.67 0.16 0.01 0.00 -0.13 0.00 0.00 55.73 56.44 3k42 s ARG 112 Cb -0.23 0.09 -0.01 0.00 -1.56 0.00 0.00 34.95 33.24 3k42 s ARG 112 CO 0.53 -0.03 -0.15 0.00 -0.81 0.00 0.00 175.30 174.85 3k42 s ALA 113 N -0.02 2.53 -0.16 6.12 0.00 0.49 -3.77 121.76 126.95 3k42 s ALA 113 Ca -0.01 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.03 3k42 s ALA 113 Cb -0.01 -1.16 0.02 0.00 0.00 0.00 0.00 23.12 21.97 3k42 s ALA 113 CO 0.00 0.21 -0.16 0.08 0.00 0.00 0.00 175.76 175.89 3k42 s VAL 114 N 0.43 1.73 -0.20 0.00 1.01 -0.44 -0.47 120.40 122.45 3k42 s VAL 114 Ca -0.11 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.12 3k42 s VAL 114 Cb -0.16 -1.61 0.02 0.00 0.00 0.00 0.00 36.38 34.63 3k42 s VAL 114 CO 0.05 0.47 -0.14 -0.69 0.00 0.00 0.00 175.10 174.79 3k42 s VAL 115 N 1.42 2.44 -0.47 2.92 1.01 0.47 0.40 120.40 128.58 3k42 s VAL 115 Ca 0.05 -0.91 -0.19 0.00 0.00 0.00 0.00 61.98 60.93 3k42 s VAL 115 Cb -0.13 -2.10 0.04 0.00 0.00 0.00 0.00 36.38 34.19 3k42 s VAL 115 CO -0.11 0.43 0.57 -0.04 0.00 0.00 0.00 175.10 175.95 3k42 s MET 116 N 1.32 3.14 -0.44 2.72 -1.94 0.39 -1.28 119.30 123.21 3k42 s MET 116 Ca 0.04 -0.79 -0.18 0.00 -1.71 0.00 0.00 55.69 53.04 3k42 s MET 116 Cb -0.14 -4.04 0.03 0.00 2.01 0.00 0.00 34.83 32.68 3k42 s MET 116 CO -0.09 -1.09 0.52 0.42 -0.01 0.00 0.00 175.02 174.77 3k42 s ILE 117 N 2.50 4.99 0.07 2.53 1.01 -0.01 -1.50 121.20 130.78 3k42 s ILE 117 Ca 0.15 -0.27 -0.15 0.00 0.00 0.00 0.00 60.65 60.38 3k42 s ILE 117 Cb -0.18 -4.13 -0.06 0.00 0.01 0.00 0.00 42.46 38.10 3k42 s ILE 117 CO 0.13 -0.53 0.49 -0.44 0.00 0.00 0.00 174.94 174.59 3k42 s SER 118 N 2.02 6.86 0.16 3.58 0.01 0.19 -0.50 113.70 126.02 3k42 s SER 118 Ca 0.15 1.06 -0.31 0.00 1.31 0.00 0.00 55.95 58.15 3k42 s SER 118 Cb -0.17 -2.28 -0.10 0.00 0.21 0.00 0.00 66.02 63.68 3k42 s SER 118 CO 0.15 0.23 1.63 0.00 0.41 0.00 0.00 173.24 175.65 3k42 s ASN 120 N 1.43 2.38 0.00 0.00 3.84 -1.06 -4.81 114.94 116.72 3k42 s ASN 120 Ca 0.72 -0.78 0.00 0.00 0.21 0.00 0.00 52.86 53.02 3k42 s ASN 120 Cb -0.44 0.02 0.00 0.00 -0.55 0.00 0.00 41.25 40.28 3k42 s ASN 120 CO 0.32 -0.38 0.69 0.54 -2.79 0.00 0.00 177.10 175.48 3k42 n ARG 121 N 5.29 0.71 -0.09 0.43 1.74 -1.26 -2.30 116.66 121.17 3k42 n ARG 121 Ca -0.05 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.06 3k42 n ARG 121 Cb 0.46 -1.02 0.05 0.00 -1.02 0.00 0.00 32.46 30.93 3k42 n ARG 121 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3k42 n HIS 122 N -0.47 0.00 -3.66 -1.55 8.25 -1.26 -5.00 115.22 111.54 3k42 n HIS 122 Ca 0.00 -0.51 -0.13 0.00 -0.26 0.00 0.00 57.72 56.82 3k42 n HIS 122 Cb 0.01 -0.07 -0.08 0.00 1.12 0.00 0.00 29.99 30.97 3k42 n HIS 122 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3k42 s THR 123 N -1.31 -0.00 -0.01 1.59 -1.32 -1.19 -5.02 115.64 108.39 3k42 s THR 123 Ca 0.10 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 60.76 3k42 s THR 123 Cb 0.09 -0.89 0.10 0.00 -1.51 0.00 0.00 72.50 70.29 3k42 s THR 123 CO 0.01 0.00 1.58 0.25 -2.21 0.00 0.00 174.62 174.25 3k42 h LEU 124 N 5.33 0.00 -6.76 9.08 7.12 -1.88 0.75 115.31 128.94 3k42 h LEU 124 Ca -0.29 0.00 0.21 0.00 0.13 0.00 0.00 57.88 57.94 3k42 h LEU 124 Cb 1.17 0.00 -0.31 0.00 -0.53 0.00 0.00 40.66 40.99 3k42 h LEU 124 CO 0.11 0.44 0.67 0.00 -0.13 0.00 0.00 178.44 179.53 3k42 s ALA 125 N -3.24 -2.81 -0.00 1.25 0.00 -1.25 -4.13 121.76 111.57 3k42 s ALA 125 Ca 0.02 1.95 -0.30 0.00 0.00 0.00 0.00 51.96 53.63 3k42 s ALA 125 Cb 0.09 -2.05 0.11 0.00 0.00 0.00 0.00 23.12 21.27 3k42 s ALA 125 CO 0.71 -0.49 1.20 0.34 0.00 0.00 0.00 175.76 177.53 3k42 s ASP 126 N 1.33 -0.10 -1.10 0.00 -1.08 -0.40 -4.99 116.67 110.33 3k42 s ASP 126 Ca -0.06 -0.17 -0.17 0.00 -0.52 0.00 0.00 52.55 51.64 3k42 s ASP 126 Cb -0.02 0.23 -0.02 0.00 -1.46 0.00 0.00 42.92 41.65 3k42 s ASP 126 CO -0.12 -0.42 0.82 0.59 0.52 0.00 0.00 175.17 176.57 3k42 n ASN 127 N -0.43 -5.73 -4.77 -0.34 3.02 -1.26 -0.10 115.26 105.64 3k42 n ASN 127 Ca -0.07 -0.91 -0.39 0.00 -0.03 0.00 0.00 54.58 53.18 3k42 n ASN 127 Cb 0.62 -3.84 -0.06 0.00 -0.61 0.00 0.00 39.78 35.89 3k42 n ASN 127 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3k42 s PHE 128 N -3.42 3.67 -0.17 3.10 2.19 -1.26 -4.05 117.98 118.03 3k42 s PHE 128 Ca 0.45 1.13 -0.30 0.00 0.33 0.00 0.00 56.93 58.54 3k42 s PHE 128 Cb -0.14 -2.56 0.14 0.00 -1.31 0.00 0.00 43.02 39.16 3k42 s PHE 128 CO 0.83 0.37 1.07 0.54 1.83 0.00 0.00 175.22 179.86 3k42 s ASN 129 N -0.22 -0.29 0.63 6.13 4.22 -0.76 -4.57 114.94 120.07 3k42 s ASN 129 Ca 0.29 0.28 -0.17 0.00 -2.14 0.00 0.00 52.86 51.13 3k42 s ASN 129 Cb -0.18 0.25 -0.01 0.00 1.28 0.00 0.00 41.25 42.59 3k42 s ASN 129 CO 0.16 -0.30 1.14 -2.16 -2.04 0.00 0.00 177.10 173.90 3k42 s PRO 130 N -1.32 2.87 -1.13 3.55 0.04 -1.26 -1.63 135.00 136.12 3k42 s PRO 130 Ca 0.01 1.56 -0.06 0.00 0.04 0.00 0.00 61.00 62.55 3k42 s PRO 130 Cb -0.01 -1.94 0.27 0.00 0.04 0.00 0.00 34.50 32.86 3k42 s PRO 130 CO -0.01 -1.23 1.52 0.28 0.04 0.00 0.00 177.00 177.60 3k42 n VAL 131 N -2.06 5.01 -3.67 -0.36 0.31 0.84 -4.84 118.33 113.56 3k42 n VAL 131 Ca 0.12 -5.52 -0.00 0.00 -0.01 0.00 0.00 64.34 58.93 3k42 n VAL 131 Cb 0.51 -2.21 0.01 0.00 -0.91 0.00 0.00 33.84 31.23 3k42 n VAL 131 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3k42 n SER 132 N 2.17 -0.43 -1.61 4.52 3.41 -1.26 -4.84 113.62 115.57 3k42 n SER 132 Ca 0.29 -1.19 0.00 0.00 -0.26 0.00 0.00 58.87 57.71 3k42 n SER 132 Cb 0.35 0.69 0.00 0.00 -0.26 0.00 0.00 64.21 64.99 3k42 n SER 132 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3k42 n GLU 133 N -0.22 1.72 -2.00 4.33 1.02 -1.26 -5.05 120.64 119.19 3k42 n GLU 133 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 3k42 n GLU 133 Cb 0.16 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.58 3k42 n GLU 133 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3k42 n GLU 134 N -0.54 3.77 -0.39 3.49 0.00 -1.26 -3.34 120.64 122.37 3k42 n GLU 134 Ca 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 57.16 53.99 3k42 n GLU 134 Cb 0.00 -2.89 0.00 0.00 0.00 0.00 0.00 31.44 28.55 3k42 n GLU 134 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 3k42 n ARG 135 N 3.61 0.00 0.00 5.31 0.63 -1.26 -4.91 116.66 120.04 3k42 n ARG 135 Ca 0.53 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.46 3k42 n ARG 135 Cb 0.32 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.23 3k42 n ARG 135 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3k42 n GLY 136 N 0.00 0.00 0.25 5.14 0.00 -1.23 -4.77 105.19 104.59 3k42 n GLY 136 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 3k42 n GLY 136 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3k42 h MET 137 N 0.00 0.84 -0.67 1.61 2.86 -1.83 -1.16 114.93 116.58 3k42 h MET 137 Ca 0.00 -0.13 -0.08 0.00 -2.06 0.00 0.00 59.70 57.43 3k42 h MET 137 Cb 0.08 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 3k42 h MET 137 CO 0.00 0.68 0.10 0.28 1.06 0.00 0.00 176.91 179.04 3k42 h VAL 138 N 0.79 1.26 -0.66 -2.22 2.07 -1.89 -0.40 116.25 115.20 3k42 h VAL 138 Ca 0.20 -1.05 0.04 0.00 0.82 0.00 0.00 66.70 66.71 3k42 h VAL 138 Cb 0.13 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 3k42 h VAL 138 CO -0.02 0.39 0.39 1.56 0.02 0.00 0.00 177.57 179.91 3k42 h GLN 139 N 1.04 0.73 -0.00 1.57 4.20 -1.77 -1.05 115.11 119.82 3k42 h GLN 139 Ca 0.20 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3k42 h GLN 139 Cb 0.45 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.07 3k42 h GLN 139 CO 0.01 0.48 -0.04 -0.25 -0.67 0.00 0.00 178.83 178.36 3k42 n ASP 140 N -4.74 0.09 -3.80 1.46 8.00 -0.47 -4.91 116.55 112.19 3k42 n ASP 140 Ca 0.07 -0.02 -0.27 0.00 0.71 0.00 0.00 54.79 55.28 3k42 n ASP 140 Cb 0.12 -0.29 0.04 0.00 -0.02 0.00 0.00 41.12 40.97 3k42 n ASP 140 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k42 s PHE 142 N -3.37 -0.93 -0.67 0.00 5.36 -0.80 -5.03 117.98 112.55 3k42 s PHE 142 Ca 0.52 1.42 -0.20 0.00 -0.96 0.00 0.00 56.93 57.71 3k42 s PHE 142 Cb -0.25 0.29 0.10 0.00 -0.34 0.00 0.00 43.02 42.82 3k42 s PHE 142 CO 0.80 -0.61 0.85 0.71 -1.46 0.00 0.00 175.22 175.52 3k42 s TYR 143 N 2.64 2.92 -0.19 10.12 1.51 -1.25 -4.70 117.35 128.41 3k42 s TYR 143 Ca 0.04 -0.91 -0.05 0.00 -1.01 0.00 0.00 57.07 55.14 3k42 s TYR 143 Cb -0.13 -4.14 -0.03 0.00 -0.11 0.00 0.00 41.96 37.55 3k42 s TYR 143 CO -0.15 -1.44 0.01 -1.17 -1.11 0.00 0.00 175.55 171.69 3k42 s LEU 144 N 3.08 3.35 0.28 -1.29 2.96 -1.26 -1.32 118.68 124.48 3k42 s LEU 144 Ca 0.18 -0.15 0.06 0.00 -0.22 0.00 0.00 54.13 54.00 3k42 s LEU 144 Cb -0.19 -1.84 -0.06 0.00 0.50 0.00 0.00 46.19 44.60 3k42 s LEU 144 CO 0.05 0.09 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.78 3k42 s PHE 145 N 0.82 1.92 0.05 5.38 0.40 0.16 -0.11 117.98 126.61 3k42 s PHE 145 Ca 0.01 -0.75 -0.06 0.00 -0.60 0.00 0.00 56.93 55.53 3k42 s PHE 145 Cb -0.14 -1.12 -0.01 0.00 0.51 0.00 0.00 43.02 42.26 3k42 s PHE 145 CO 0.02 0.22 0.12 -1.83 0.70 0.00 0.00 175.22 174.45 3k42 s GLU 146 N -3.76 0.68 0.15 0.44 -1.05 -0.65 -0.46 118.70 114.06 3k42 s GLU 146 Ca 0.30 -0.86 -0.25 0.00 -0.15 0.00 0.00 54.97 54.02 3k42 s GLU 146 Cb 0.05 0.27 0.06 0.00 -0.44 0.00 0.00 34.13 34.07 3k42 s GLU 146 CO 0.12 -0.19 0.83 0.00 0.95 0.00 0.00 175.26 176.97 3k42 s MET 147 N -3.15 1.27 0.04 -4.83 0.23 -0.56 -1.84 119.30 110.45 3k42 s MET 147 Ca -0.00 -0.63 0.04 0.00 -1.03 0.00 0.00 55.69 54.07 3k42 s MET 147 Cb 0.02 0.48 -0.04 0.00 -1.53 0.00 0.00 34.83 33.76 3k42 s MET 147 CO -0.07 -0.57 -0.07 -0.51 -2.03 0.00 0.00 175.02 171.76 3k42 s ASP 148 N -2.81 4.57 -0.28 -1.18 1.01 0.85 -0.63 116.67 118.20 3k42 s ASP 148 Ca 0.09 -0.22 -0.21 0.00 0.71 0.00 0.00 52.55 52.91 3k42 s ASP 148 Cb -0.02 -1.01 0.13 0.00 1.01 0.00 0.00 42.92 43.02 3k42 s ASP 148 CO -0.02 0.25 1.00 -0.55 0.21 0.00 0.00 175.17 176.06 3k42 s SER 149 N -1.68 -0.49 0.36 0.27 0.15 -0.46 -1.27 113.70 110.57 3k42 s SER 149 Ca 0.19 0.87 0.27 0.00 0.70 0.00 0.00 55.95 57.98 3k42 s SER 149 Cb -0.11 1.01 1.18 0.00 -1.71 0.00 0.00 66.02 66.39 3k42 s SER 149 CO 0.10 -0.15 1.81 0.77 1.20 0.00 0.00 173.24 176.97 3k42 h SER 150 N 4.96 0.00 0.76 5.45 4.64 -0.41 -1.74 113.55 127.21 3k42 h SER 150 Ca -0.28 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.02 3k42 h SER 150 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3k42 h SER 150 CO 0.14 0.00 -0.10 -0.07 -0.87 0.00 0.00 176.83 175.93 3k42 h LEU 151 N 0.00 0.00 -0.99 5.97 3.38 -1.83 -2.02 115.31 119.81 3k42 h LEU 151 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3k42 h LEU 151 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3k42 h LEU 151 CO 0.00 0.10 0.00 0.00 0.09 0.00 0.00 178.44 178.63 3k42 n ALA 152 N -2.17 2.54 -2.44 1.53 0.00 -0.68 -4.88 120.51 114.41 3k42 n ALA 152 Ca -0.00 -0.48 -0.29 0.00 0.00 0.00 0.00 53.44 52.67 3k42 n ALA 152 Cb 0.31 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 3k42 n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50