#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kvi s ARG 6 N 0.00 3.09 0.14 0.03 3.00 -1.26 -5.05 118.95 118.90 3kvi s ARG 6 Ca 0.00 -0.78 -0.35 0.00 0.00 0.00 0.00 55.73 54.60 3kvi s ARG 6 Cb 0.00 -2.66 -0.16 0.00 0.00 0.00 0.00 34.95 32.13 3kvi s ARG 6 CO 0.00 -0.18 1.30 0.28 0.00 0.00 0.00 175.30 176.70 3kvi n VAL 7 N 4.59 0.41 0.00 3.52 0.31 -1.26 -1.55 118.33 124.34 3kvi n VAL 7 Ca -0.20 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 3kvi n VAL 7 Cb 0.50 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 3kvi n VAL 7 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kvi n GLY 8 N 2.39 1.89 3.76 2.92 0.00 0.75 -4.99 105.19 111.92 3kvi n GLY 8 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3kvi n GLY 8 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kvi s GLU 9 N -0.79 4.46 -0.03 1.61 -6.30 -0.60 -4.73 118.70 112.33 3kvi s GLU 9 Ca 0.00 2.05 0.01 0.00 -2.50 0.00 0.00 54.97 54.53 3kvi s GLU 9 Cb 0.00 -3.13 -0.03 0.00 0.00 0.00 0.00 34.13 30.96 3kvi s GLU 9 CO 0.00 -0.06 -0.01 1.03 0.02 0.00 0.00 175.26 176.24 3kvi s ARG 10 N -1.39 2.83 0.03 4.30 0.52 -1.26 -0.91 118.95 123.07 3kvi s ARG 10 Ca 0.49 -0.56 0.08 0.00 -0.52 0.00 0.00 55.73 55.22 3kvi s ARG 10 Cb -0.37 -2.69 -0.02 0.00 0.52 0.00 0.00 34.95 32.39 3kvi s ARG 10 CO 0.46 0.65 -0.23 0.12 0.02 0.00 0.00 175.30 176.32 3kvi s PHE 11 N -1.02 2.05 0.08 -0.53 5.36 0.11 -4.96 117.98 119.08 3kvi s PHE 11 Ca 0.17 -0.39 0.07 0.00 -0.96 0.00 0.00 56.93 55.82 3kvi s PHE 11 Cb -0.11 -1.25 -0.03 0.00 -0.34 0.00 0.00 43.02 41.29 3kvi s PHE 11 CO 0.08 0.07 -0.18 0.95 -1.46 0.00 0.00 175.22 174.68 3kvi s THR 12 N -0.73 1.41 -0.06 0.12 -4.23 -1.26 -0.24 115.64 110.65 3kvi s THR 12 Ca 0.09 -1.39 -0.01 0.00 -1.18 0.00 0.00 61.69 59.20 3kvi s THR 12 Cb -0.09 -1.30 0.03 0.00 1.34 0.00 0.00 72.50 72.47 3kvi s THR 12 CO 0.01 -0.12 -0.00 -2.28 -0.54 0.00 0.00 174.62 171.69 3kvi s HIS 13 N -1.18 0.64 -0.02 3.99 2.46 -0.18 -4.99 115.29 116.00 3kvi s HIS 13 Ca 0.02 -0.15 -0.00 0.00 0.47 0.00 0.00 55.06 55.41 3kvi s HIS 13 Cb -0.10 -0.74 -0.04 0.00 -0.13 0.00 0.00 32.58 31.58 3kvi s HIS 13 CO 0.03 -0.29 0.03 -0.51 -2.47 0.00 0.00 174.74 171.53 3kvi s ASP 14 N 1.73 5.34 -0.15 9.88 1.01 -1.26 -0.60 116.67 132.62 3kvi s ASP 14 Ca 0.01 0.08 -0.05 0.00 0.71 0.00 0.00 52.55 53.31 3kvi s ASP 14 Cb -0.13 -1.47 0.08 0.00 1.01 0.00 0.00 42.92 42.41 3kvi s ASP 14 CO -0.04 0.30 0.27 0.12 0.21 0.00 0.00 175.17 176.04 3kvi s PHE 15 N -1.07 -0.45 -0.09 4.23 5.36 0.38 -4.99 117.98 121.35 3kvi s PHE 15 Ca 0.19 0.87 -0.29 0.00 -0.96 0.00 0.00 56.93 56.74 3kvi s PHE 15 Cb -0.12 -0.07 -0.02 0.00 -0.34 0.00 0.00 43.02 42.48 3kvi s PHE 15 CO 0.09 -0.43 0.98 0.08 -1.46 0.00 0.00 175.22 174.49 3kvi s VAL 16 N 2.43 4.81 -0.28 3.12 1.01 -1.26 -0.37 120.40 129.85 3kvi s VAL 16 Ca 0.03 2.01 -0.29 0.00 0.00 0.00 0.00 61.98 63.73 3kvi s VAL 16 Cb -0.13 -4.30 0.01 0.00 0.00 0.00 0.00 36.38 31.97 3kvi s VAL 16 CO -0.10 0.04 1.06 -0.69 0.00 0.00 0.00 175.10 175.41 3kvi s VAL 17 N 1.81 4.58 0.52 2.92 1.01 -0.05 -4.92 120.40 126.27 3kvi s VAL 17 Ca 0.48 1.85 -0.01 0.00 0.00 0.00 0.00 61.98 64.29 3kvi s VAL 17 Cb -0.19 -4.37 0.01 0.00 0.00 0.00 0.00 36.38 31.83 3kvi s VAL 17 CO 0.19 -0.36 0.77 -2.16 0.00 0.00 0.00 175.10 173.54 3kvi s PRO 18 N 3.47 2.86 0.54 2.72 0.04 -1.26 -0.32 135.00 143.05 3kvi s PRO 18 Ca 0.45 -0.43 0.24 0.00 0.04 0.00 0.00 61.00 61.29 3kvi s PRO 18 Cb -0.13 -2.45 1.42 0.00 0.04 0.00 0.00 34.50 33.37 3kvi s PRO 18 CO 0.12 -0.52 2.05 -1.35 0.04 0.00 0.00 177.00 177.33 3kvi h PRO 19 N 0.14 0.00 -0.60 0.56 0.11 -1.95 -2.32 132.00 127.93 3kvi h PRO 19 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kvi h PRO 19 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3kvi h PRO 19 CO 0.57 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 175.97 3kvi n HIS 20 N -4.29 0.74 -1.40 0.65 1.44 -1.26 -3.48 115.22 107.63 3kvi n HIS 20 Ca 0.05 -0.29 0.04 0.00 -2.01 0.00 0.00 57.72 55.52 3kvi n HIS 20 Cb 0.43 -0.16 0.20 0.00 0.12 0.00 0.00 29.99 30.58 3kvi n HIS 20 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3kvi n LYS 21 N 0.39 1.70 -2.54 -1.40 4.76 -0.87 -4.77 118.16 115.42 3kvi n LYS 21 Ca 0.12 -3.08 -0.22 0.00 -2.87 0.00 0.00 58.31 52.26 3kvi n LYS 21 Cb 0.51 -1.66 0.05 0.00 -1.84 0.00 0.00 35.03 32.09 3kvi n LYS 21 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3kvi s THR 22 N -3.13 2.53 0.23 -0.18 -4.23 -1.23 -1.73 115.64 107.91 3kvi s THR 22 Ca 0.39 -0.58 -0.15 0.00 -1.18 0.00 0.00 61.69 60.17 3kvi s THR 22 Cb 0.36 -2.96 0.27 0.00 1.34 0.00 0.00 72.50 71.51 3kvi s THR 22 CO -0.02 0.00 1.58 0.58 -0.54 0.00 0.00 174.62 176.22 3kvi h VAL 23 N -0.12 0.13 0.00 2.29 2.07 -1.62 -1.00 116.25 118.00 3kvi h VAL 23 Ca -0.42 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 3kvi h VAL 23 Cb 1.30 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3kvi h VAL 23 CO 0.53 0.00 -0.03 0.08 0.02 0.00 0.00 177.57 178.16 3kvi h ARG 24 N -0.05 0.00 0.00 1.57 0.11 -1.87 -1.87 114.38 112.28 3kvi h ARG 24 Ca 0.34 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.41 3kvi h ARG 24 Cb 0.59 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.67 3kvi h ARG 24 CO -0.84 0.03 -0.36 0.45 0.10 0.00 0.00 179.97 179.35 3kvi h HIS 25 N 0.00 0.00 -0.43 4.08 3.86 -1.49 -2.97 115.15 118.20 3kvi h HIS 25 Ca -0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 3kvi h HIS 25 Cb 0.11 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 3kvi h HIS 25 CO 0.00 0.05 0.14 1.25 0.86 0.00 0.00 177.93 180.24 3kvi h LEU 26 N 0.00 0.62 -6.78 2.43 5.85 -1.04 -3.36 115.31 113.03 3kvi h LEU 26 Ca -0.01 -0.20 -0.61 0.00 0.84 0.00 0.00 57.88 57.91 3kvi h LEU 26 Cb 1.04 -0.16 -0.40 0.00 0.37 0.00 0.00 40.66 41.51 3kvi h LEU 26 CO 0.01 0.65 -0.77 -0.31 -0.34 0.00 0.00 178.44 177.68 3kvi s TYR 27 N -5.43 2.24 -0.36 1.25 2.02 -1.24 -4.91 117.35 110.91 3kvi s TYR 27 Ca -0.13 -2.73 0.19 0.00 -0.37 0.00 0.00 57.07 54.02 3kvi s TYR 27 Cb 0.10 -1.82 0.98 0.00 -0.40 0.00 0.00 41.96 40.83 3kvi s TYR 27 CO 0.77 -0.71 1.58 -2.30 -1.57 0.00 0.00 175.55 173.32 3kvi n PRO 28 N 2.67 0.13 0.09 -1.71 -0.02 -1.12 -1.91 135.00 133.12 3kvi n PRO 28 Ca 0.21 0.58 0.08 0.00 -2.02 0.00 0.00 63.50 62.35 3kvi n PRO 28 Cb 0.40 -1.88 0.39 0.00 -0.02 0.00 0.00 33.50 32.39 3kvi n PRO 28 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kvi n GLU 29 N -2.14 0.10 -3.79 -0.52 4.71 -1.26 -4.71 120.64 113.03 3kvi n GLU 29 Ca -0.01 0.48 -0.37 0.00 -0.01 0.00 0.00 57.16 57.26 3kvi n GLU 29 Cb 0.06 -1.76 -0.13 0.00 -1.01 0.00 0.00 31.44 28.60 3kvi n GLU 29 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3kvi s SER 30 N -3.71 5.22 0.39 1.62 0.15 -0.80 -4.91 113.70 111.65 3kvi s SER 30 Ca 0.02 -1.17 0.15 0.00 0.70 0.00 0.00 55.95 55.65 3kvi s SER 30 Cb 0.06 -1.83 0.79 0.00 -1.71 0.00 0.00 66.02 63.33 3kvi s SER 30 CO 0.22 -0.31 1.83 -0.65 1.20 0.00 0.00 173.24 175.53 3kvi h PRO 31 N 8.17 0.00 -0.49 5.44 0.11 -1.88 -2.28 132.00 141.07 3kvi h PRO 31 Ca -0.23 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.98 3kvi h PRO 31 Cb 1.08 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 3kvi h PRO 31 CO 0.59 0.35 0.33 0.93 -0.21 0.00 0.00 178.00 179.99 3kvi h GLU 32 N 0.00 0.25 -0.01 1.05 3.07 -1.96 -2.20 114.58 114.77 3kvi h GLU 32 Ca -0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3kvi h GLU 32 Cb 0.68 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 3kvi h GLU 32 CO 0.05 0.16 -0.49 1.19 -1.40 0.00 0.00 179.01 178.52 3kvi n PHE 33 N -4.46 0.00 -0.26 4.33 3.72 -0.89 -4.60 117.46 115.31 3kvi n PHE 33 Ca 0.08 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.54 3kvi n PHE 33 Cb 0.38 -0.03 0.20 0.00 -0.94 0.00 0.00 39.48 39.08 3kvi n PHE 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kvi h ALA 34 N 3.74 1.08 -1.31 4.37 0.00 -1.03 -2.60 119.26 123.52 3kvi h ALA 34 Ca 0.00 0.13 -0.66 0.00 0.00 0.00 0.00 54.91 54.37 3kvi h ALA 34 Cb 0.68 0.11 -0.36 0.00 0.00 0.00 0.00 17.79 18.22 3kvi h ALA 34 CO 0.00 -0.23 -0.01 0.39 0.00 0.00 0.00 179.25 179.40 3kvi n GLU 35 N -5.02 3.16 -3.71 0.00 -0.58 -1.26 -4.91 120.64 108.31 3kvi n GLU 35 Ca 0.15 -4.11 -0.31 0.00 -0.42 0.00 0.00 57.16 52.47 3kvi n GLU 35 Cb 0.44 -2.26 -0.04 0.00 -0.57 0.00 0.00 31.44 29.01 3kvi n GLU 35 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3kvi s PHE 36 N -3.76 3.48 0.46 -0.32 5.36 -0.98 -5.06 117.98 117.17 3kvi s PHE 36 Ca 0.50 0.48 -0.22 0.00 -0.96 0.00 0.00 56.93 56.72 3kvi s PHE 36 Cb 0.42 -1.94 -0.10 0.00 -0.34 0.00 0.00 43.02 41.05 3kvi s PHE 36 CO -0.28 0.45 0.79 -2.30 -1.46 0.00 0.00 175.22 172.42 3kvi n PRO 37 N -0.00 0.94 -2.47 10.12 -0.02 -1.26 -4.81 135.00 137.50 3kvi n PRO 37 Ca -0.03 0.34 -0.43 0.00 -2.02 0.00 0.00 63.50 61.36 3kvi n PRO 37 Cb 0.52 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 3kvi n PRO 37 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kvi n GLU 38 N 0.14 3.25 -4.23 -0.52 -0.58 -1.26 -4.55 120.64 112.89 3kvi n GLU 38 Ca 0.11 -3.34 -0.19 0.00 -0.42 0.00 0.00 57.16 53.32 3kvi n GLU 38 Cb 0.41 -3.24 -0.12 0.00 -0.57 0.00 0.00 31.44 27.93 3kvi n GLU 38 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 3kvi s VAL 39 N 2.65 1.32 -0.00 2.62 -7.23 -1.26 -4.30 120.40 114.21 3kvi s VAL 39 Ca 0.47 -1.58 -0.36 0.00 -1.81 0.00 0.00 61.98 58.70 3kvi s VAL 39 Cb 0.05 -1.40 -0.15 0.00 0.56 0.00 0.00 36.38 35.44 3kvi s VAL 39 CO 0.01 -0.31 1.58 0.33 -0.31 0.00 0.00 175.10 176.40 3kvi n PHE 40 N 0.82 1.97 -2.40 2.82 7.35 0.60 -1.90 117.46 126.72 3kvi n PHE 40 Ca -0.18 0.41 -0.39 0.00 -0.76 0.00 0.00 57.45 56.54 3kvi n PHE 40 Cb 0.56 -2.47 -0.03 0.00 0.35 0.00 0.00 39.48 37.88 3kvi n PHE 40 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3kvi s ALA 41 N 1.86 3.23 0.26 3.13 0.00 -0.70 -4.74 121.76 124.80 3kvi s ALA 41 Ca 0.87 0.90 -0.01 0.00 0.00 0.00 0.00 51.96 53.72 3kvi s ALA 41 Cb -0.86 -3.34 0.50 0.00 0.00 0.00 0.00 23.12 19.41 3kvi s ALA 41 CO 0.49 -0.35 1.81 0.00 0.00 0.00 0.00 175.76 177.71 3kvi h ALA 42 N 3.00 1.35 -0.77 0.00 0.00 -1.93 0.04 119.26 120.95 3kvi h ALA 42 Ca -0.48 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 3kvi h ALA 42 Cb 1.22 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 3kvi h ALA 42 CO 0.64 0.11 0.40 0.78 0.00 0.00 0.00 179.25 181.17 3kvi h GLY 43 N 0.84 1.16 1.41 0.00 0.00 -1.98 0.60 103.07 105.09 3kvi h GLY 43 Ca 0.46 -0.54 -0.06 0.00 0.00 0.00 0.00 47.33 47.19 3kvi h GLY 43 CO -0.28 0.51 0.02 0.74 0.00 0.00 0.00 176.54 177.53 3kvi h PHE 44 N 1.08 0.76 -0.58 5.60 0.04 -1.54 -1.51 116.94 120.79 3kvi h PHE 44 Ca 0.27 -0.09 -0.08 0.00 2.80 0.00 0.00 57.97 60.86 3kvi h PHE 44 Cb 0.06 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 37.98 3kvi h PHE 44 CO 0.01 0.71 0.04 1.98 -0.60 0.00 0.00 178.31 180.45 3kvi h MET 45 N 0.69 0.99 -0.31 1.51 1.85 -0.09 -0.17 114.93 119.40 3kvi h MET 45 Ca 0.14 -0.30 -0.00 0.00 -0.61 0.00 0.00 59.70 58.93 3kvi h MET 45 Cb 0.40 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 32.31 3kvi h MET 45 CO 0.01 0.97 0.19 0.28 -0.40 0.00 0.00 176.91 177.96 3kvi h VAL 46 N 0.89 1.11 -1.01 -5.77 2.07 -0.80 0.15 116.25 112.89 3kvi h VAL 46 Ca 0.17 -0.26 0.07 0.00 0.82 0.00 0.00 66.70 67.50 3kvi h VAL 46 Cb 0.50 0.72 -0.07 0.00 -1.52 0.00 0.00 31.29 30.91 3kvi h VAL 46 CO 0.02 0.11 0.65 1.23 0.02 0.00 0.00 177.57 179.60 3kvi h GLY 47 N 0.40 1.54 1.08 2.17 0.00 -0.84 0.44 103.07 107.86 3kvi h GLY 47 Ca 0.11 -0.48 -0.12 0.00 0.00 0.00 0.00 47.33 46.85 3kvi h GLY 47 CO -0.02 0.34 -0.14 -2.00 0.00 0.00 0.00 176.54 174.71 3kvi h LEU 48 N 1.18 1.00 -0.36 3.11 5.85 -0.27 0.56 115.31 126.38 3kvi h LEU 48 Ca 0.44 -0.37 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 3kvi h LEU 48 Cb 0.17 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3kvi h LEU 48 CO -0.18 1.14 -0.05 0.24 -0.34 0.00 0.00 178.44 179.25 3kvi h MET 49 N 0.86 0.68 -0.33 1.25 2.86 -0.13 0.56 114.93 120.68 3kvi h MET 49 Ca 0.13 -0.24 0.04 0.00 -2.06 0.00 0.00 59.70 57.56 3kvi h MET 49 Cb 0.71 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.28 3kvi h MET 49 CO 0.05 0.81 0.10 0.93 1.06 0.00 0.00 176.91 179.87 3kvi h GLU 50 N 0.48 0.22 -0.51 1.72 5.08 -0.75 -2.01 114.58 118.81 3kvi h GLU 50 Ca 0.10 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.51 3kvi h GLU 50 Cb 0.54 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.68 3kvi h GLU 50 CO 0.03 0.15 0.18 2.35 -1.00 0.00 0.00 179.01 180.72 3kvi h TRP 51 N 0.23 0.32 -0.62 4.33 7.01 -0.63 0.13 115.95 126.73 3kvi h TRP 51 Ca 0.15 0.03 0.09 0.00 2.11 0.00 0.00 58.89 61.26 3kvi h TRP 51 Cb 0.13 -0.07 -0.07 0.00 -2.10 0.00 0.00 29.16 27.06 3kvi h TRP 51 CO -0.15 0.11 0.25 0.00 -2.79 0.00 0.00 178.44 175.85 3kvi h ALA 52 N 1.34 0.81 -0.15 2.65 0.00 -0.50 -1.04 119.26 122.36 3kvi h ALA 52 Ca 0.24 0.07 -0.23 0.00 0.00 0.00 0.00 54.91 55.00 3kvi h ALA 52 Cb 0.26 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.09 3kvi h ALA 52 CO -0.25 -0.16 -0.79 0.00 0.00 0.00 0.00 179.25 178.05 3kvi h VAL 54 N 0.54 0.50 -0.63 0.00 2.07 -0.57 0.20 116.25 118.36 3kvi h VAL 54 Ca -0.06 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 3kvi h VAL 54 Cb 1.42 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 3kvi h VAL 54 CO 0.16 0.00 0.31 0.03 0.02 0.00 0.00 177.57 178.10 3kvi h ARG 55 N 0.01 0.90 -0.48 1.57 3.08 -0.95 -2.05 114.38 116.46 3kvi h ARG 55 Ca 0.25 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 3kvi h ARG 55 Cb 0.38 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 3kvi h ARG 55 CO -0.51 0.71 0.23 0.00 -1.07 0.00 0.00 179.97 179.33 3kvi h ALA 56 N 1.14 1.50 -0.11 0.04 0.00 -0.58 -2.81 119.26 118.44 3kvi h ALA 56 Ca 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3kvi h ALA 56 Cb 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3kvi h ALA 56 CO -0.03 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.62 3kvi n MET 57 N -4.38 2.02 -0.24 0.00 0.00 0.01 -4.40 117.12 110.12 3kvi n MET 57 Ca 0.04 -1.51 0.10 0.00 0.00 0.00 0.00 57.70 56.33 3kvi n MET 57 Cb 0.13 -1.46 0.37 0.00 0.00 0.00 0.00 33.22 32.25 3kvi n MET 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3kvi h ALA 58 N 4.43 1.80 0.00 3.17 0.00 -1.10 0.26 119.26 127.82 3kvi h ALA 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kvi h ALA 58 Cb 0.73 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3kvi h ALA 58 CO 0.00 0.01 0.00 -1.35 0.00 0.00 0.00 179.25 177.91 3kvi h PRO 59 N 0.71 0.00 0.00 0.00 0.11 -1.82 -2.48 132.00 128.52 3kvi h PRO 59 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 3kvi h PRO 59 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 3kvi h PRO 59 CO -0.16 0.00 -0.20 -0.92 -0.21 0.00 0.00 178.00 176.51 3kvi h TYR 60 N 0.00 0.00 -3.71 0.65 3.20 -1.25 -3.46 116.97 112.39 3kvi h TYR 60 Ca 0.00 0.00 -0.51 0.00 3.14 0.00 0.00 58.73 61.36 3kvi h TYR 60 Cb 0.17 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.45 3kvi h TYR 60 CO 0.00 0.00 0.48 -0.51 -1.64 0.00 0.00 178.16 176.49 3kvi s LEU 61 N -5.40 4.53 0.56 2.82 1.43 -0.94 -5.07 118.68 116.62 3kvi s LEU 61 Ca 0.07 2.21 -0.03 0.00 -1.03 0.00 0.00 54.13 55.35 3kvi s LEU 61 Cb 0.09 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.70 3kvi s LEU 61 CO 0.67 -0.18 0.83 -1.61 0.23 0.00 0.00 176.35 176.29 3kvi s GLU 62 N -1.04 2.81 0.38 1.70 0.41 -1.26 -5.00 118.70 116.70 3kvi s GLU 62 Ca 0.46 -0.29 -0.25 0.00 -0.41 0.00 0.00 54.97 54.48 3kvi s GLU 62 Cb -0.31 -2.37 -0.09 0.00 -1.78 0.00 0.00 34.13 29.58 3kvi s GLU 62 CO 0.39 -0.65 1.08 -2.14 -0.49 0.00 0.00 175.26 173.45 3kvi s PRO 63 N -4.87 4.20 0.00 0.39 0.02 -1.26 -2.08 135.00 131.41 3kvi s PRO 63 Ca 0.54 1.63 0.00 0.00 0.02 0.00 0.00 61.00 63.18 3kvi s PRO 63 Cb -0.10 -2.66 0.00 0.00 0.02 0.00 0.00 34.50 31.75 3kvi s PRO 63 CO 0.42 -0.13 0.00 0.41 -0.33 0.00 0.00 177.00 177.37 3kvi n GLY 64 N 0.54 0.32 3.79 0.52 0.00 -1.26 -5.05 105.19 104.04 3kvi n GLY 64 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 3kvi n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kvi s GLU 65 N -0.94 2.81 0.00 1.61 2.02 -0.88 -0.53 118.70 122.80 3kvi s GLU 65 Ca 0.00 -1.07 0.00 0.00 0.02 0.00 0.00 54.97 53.92 3kvi s GLU 65 Cb 0.00 -2.52 0.00 0.00 0.10 0.00 0.00 34.13 31.71 3kvi s GLU 65 CO 0.00 0.41 0.00 0.41 0.02 0.00 0.00 175.26 176.10 3kvi n GLY 66 N -0.94 4.52 3.21 -1.39 0.00 -0.23 -4.80 105.19 105.56 3kvi n GLY 66 Ca -0.08 -1.23 -0.09 0.00 0.00 0.00 0.00 46.02 44.62 3kvi n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kvi s SER 67 N 1.24 0.11 0.01 1.61 1.04 -1.26 -0.12 113.70 116.33 3kvi s SER 67 Ca 0.00 -0.64 0.04 0.00 0.48 0.00 0.00 55.95 55.83 3kvi s SER 67 Cb 0.00 0.34 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 3kvi s SER 67 CO 0.00 -0.73 -0.13 -0.76 0.98 0.00 0.00 173.24 172.60 3kvi s LEU 68 N -2.84 2.07 0.27 2.42 1.43 -0.29 -4.89 118.68 116.85 3kvi s LEU 68 Ca 0.05 -0.30 -0.30 0.00 -1.03 0.00 0.00 54.13 52.55 3kvi s LEU 68 Cb 0.05 -0.62 -0.09 0.00 0.03 0.00 0.00 46.19 45.55 3kvi s LEU 68 CO -0.11 0.11 1.05 -0.83 0.23 0.00 0.00 176.35 176.80 3kvi s GLY 69 N -0.56 3.08 0.00 -3.19 0.00 -1.26 -1.00 107.32 104.39 3kvi s GLY 69 Ca 0.04 0.81 0.00 0.00 0.00 0.00 0.00 44.72 45.56 3kvi s GLY 69 CO 0.00 1.40 0.00 -1.30 0.00 0.00 0.00 173.10 173.20 3kvi n THR 70 N 1.26 0.00 -3.52 0.90 -2.24 0.01 -4.88 114.28 105.81 3kvi n THR 70 Ca -0.01 -0.34 -0.17 0.00 -2.27 0.00 0.00 64.05 61.26 3kvi n THR 70 Cb 0.46 0.85 -0.06 0.00 -2.10 0.00 0.00 70.33 69.48 3kvi n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kvi s ALA 71 N -1.26 -1.78 -0.02 6.98 0.00 -1.17 -4.95 121.76 119.55 3kvi s ALA 71 Ca 0.00 1.30 -0.01 0.00 0.00 0.00 0.00 51.96 53.25 3kvi s ALA 71 Cb 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.11 3kvi s ALA 71 CO 0.00 -0.39 0.05 -1.50 0.00 0.00 0.00 175.76 173.92 3kvi s ILE 72 N -1.36 -0.02 -0.33 0.00 1.10 -1.26 -1.60 121.20 117.73 3kvi s ILE 72 Ca -0.09 0.07 -0.00 0.00 -0.51 0.00 0.00 60.65 60.12 3kvi s ILE 72 Cb -0.00 -0.09 0.14 0.00 0.15 0.00 0.00 42.46 42.66 3kvi s ILE 72 CO 0.07 0.03 0.27 0.00 -2.11 0.00 0.00 174.94 173.20 3kvi s VAL 74 N 1.75 0.81 0.26 0.00 -7.23 -1.26 -0.86 120.40 113.86 3kvi s VAL 74 Ca 0.13 -1.98 0.07 0.00 -1.81 0.00 0.00 61.98 58.39 3kvi s VAL 74 Cb -0.17 -1.82 -0.03 0.00 0.56 0.00 0.00 36.38 34.92 3kvi s VAL 74 CO -0.17 -0.76 0.25 0.42 -0.31 0.00 0.00 175.10 174.53 3kvi s THR 75 N -3.56 4.55 -0.20 5.32 -4.23 -0.55 -4.95 115.64 112.03 3kvi s THR 75 Ca 0.16 -1.30 -0.00 0.00 -1.18 0.00 0.00 61.69 59.37 3kvi s THR 75 Cb 0.05 -3.49 0.05 0.00 1.34 0.00 0.00 72.50 70.45 3kvi s THR 75 CO -0.02 -0.33 -0.04 -1.00 -0.54 0.00 0.00 174.62 172.70 3kvi s HIS 76 N -2.11 1.89 -0.53 3.99 0.09 -1.26 -3.20 115.29 114.15 3kvi s HIS 76 Ca 0.34 -1.32 0.08 0.00 -0.00 0.00 0.00 55.06 54.16 3kvi s HIS 76 Cb -0.08 -1.38 -0.06 0.00 -0.00 0.00 0.00 32.58 31.06 3kvi s HIS 76 CO 0.26 -0.68 0.43 0.25 -0.00 0.00 0.00 174.74 175.00 3kvi n THR 77 N 4.82 0.00 -3.46 1.30 -2.24 -0.25 -4.95 114.28 109.51 3kvi n THR 77 Ca -0.12 -0.34 -0.13 0.00 -2.27 0.00 0.00 64.05 61.19 3kvi n THR 77 Cb 0.46 1.04 -0.03 0.00 -2.10 0.00 0.00 70.33 69.70 3kvi n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kvi s ALA 78 N -1.58 -1.68 0.15 6.98 0.00 -1.25 -4.93 121.76 119.46 3kvi s ALA 78 Ca 0.05 0.76 0.05 0.00 0.00 0.00 0.00 51.96 52.82 3kvi s ALA 78 Cb 0.06 0.59 -0.04 0.00 0.00 0.00 0.00 23.12 23.74 3kvi s ALA 78 CO 0.29 -0.66 0.12 0.00 0.00 0.00 0.00 175.76 175.51 3kvi s ALA 79 N -3.07 3.54 -0.16 0.00 0.00 -1.26 -4.79 121.76 116.02 3kvi s ALA 79 Ca -0.01 -1.20 -0.01 0.00 0.00 0.00 0.00 51.96 50.75 3kvi s ALA 79 Cb -0.01 -1.35 0.04 0.00 0.00 0.00 0.00 23.12 21.81 3kvi s ALA 79 CO -0.07 0.54 -0.03 0.99 0.00 0.00 0.00 175.76 177.18 3kvi s THR 80 N -1.69 0.91 0.72 0.00 2.01 -1.26 -5.00 115.64 111.32 3kvi s THR 80 Ca 0.30 -0.52 -0.12 0.00 0.31 0.00 0.00 61.69 61.67 3kvi s THR 80 Cb -0.10 -1.14 0.02 0.00 0.01 0.00 0.00 72.50 71.29 3kvi s THR 80 CO 0.23 0.08 1.11 -2.16 -0.69 0.00 0.00 174.62 173.18 3kvi s PRO 81 N 1.72 2.73 0.57 4.92 0.04 -1.26 -0.29 135.00 143.42 3kvi s PRO 81 Ca 0.01 0.43 -0.21 0.00 0.04 0.00 0.00 61.00 61.27 3kvi s PRO 81 Cb -0.15 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 3kvi s PRO 81 CO -0.07 -1.12 1.25 -2.30 0.04 0.00 0.00 177.00 174.80 3kvi n PRO 82 N -3.06 1.41 0.00 0.56 -0.02 -1.26 -3.19 135.00 129.44 3kvi n PRO 82 Ca 0.07 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3kvi n PRO 82 Cb 0.58 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 3kvi n PRO 82 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kvi n GLY 83 N 0.92 2.72 3.84 -1.23 0.00 0.57 -4.99 105.19 107.02 3kvi n GLY 83 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3kvi n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kvi s LEU 84 N 0.00 3.83 -0.23 0.99 1.43 -1.19 -4.74 118.68 118.76 3kvi s LEU 84 Ca 0.00 1.50 -0.20 0.00 -1.03 0.00 0.00 54.13 54.40 3kvi s LEU 84 Cb 0.00 -4.38 -0.02 0.00 0.03 0.00 0.00 46.19 41.82 3kvi s LEU 84 CO 0.00 -0.42 0.62 -0.89 0.23 0.00 0.00 176.35 175.89 3kvi s THR 85 N -2.34 5.00 -0.20 5.49 2.01 -1.25 -0.87 115.64 123.48 3kvi s THR 85 Ca 0.58 1.14 -0.20 0.00 0.31 0.00 0.00 61.69 63.51 3kvi s THR 85 Cb -0.10 -3.93 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 3kvi s THR 85 CO 0.23 0.07 0.61 -0.69 -0.69 0.00 0.00 174.62 174.15 3kvi s VAL 86 N 2.24 5.03 -0.21 3.82 1.01 0.50 -3.62 120.40 129.17 3kvi s VAL 86 Ca 0.27 1.16 -0.06 0.00 0.00 0.00 0.00 61.98 63.35 3kvi s VAL 86 Cb -0.16 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 3kvi s VAL 86 CO 0.09 0.12 0.02 -0.89 0.00 0.00 0.00 175.10 174.45 3kvi s THR 87 N 1.86 4.08 -0.18 3.92 2.01 0.58 -0.47 115.64 127.44 3kvi s THR 87 Ca 0.28 -0.26 -0.08 0.00 0.31 0.00 0.00 61.69 61.94 3kvi s THR 87 Cb -0.16 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 3kvi s THR 87 CO 0.10 0.40 0.09 -0.69 -0.69 0.00 0.00 174.62 173.83 3kvi s VAL 88 N 1.17 5.03 -0.21 3.82 1.01 0.23 -1.92 120.40 129.53 3kvi s VAL 88 Ca 0.03 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 62.02 3kvi s VAL 88 Cb -0.14 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 3kvi s VAL 88 CO 0.02 0.47 -0.01 -0.89 0.00 0.00 0.00 175.10 174.69 3kvi s THR 89 N 0.20 3.77 -0.31 3.92 2.01 0.16 -1.01 115.64 124.38 3kvi s THR 89 Ca 0.06 -0.37 -0.03 0.00 0.31 0.00 0.00 61.69 61.66 3kvi s THR 89 Cb -0.12 -2.72 0.04 0.00 0.01 0.00 0.00 72.50 69.72 3kvi s THR 89 CO -0.00 0.41 0.03 0.00 -0.69 0.00 0.00 174.62 174.37 3kvi s ALA 90 N 1.25 2.88 -0.28 7.40 0.00 0.67 -0.90 121.76 132.78 3kvi s ALA 90 Ca 0.03 -1.71 -0.10 0.00 0.00 0.00 0.00 51.96 50.18 3kvi s ALA 90 Cb -0.15 -2.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.92 3kvi s ALA 90 CO 0.00 -1.23 0.16 -2.00 0.00 0.00 0.00 175.76 172.70 3kvi s GLU 91 N 1.31 3.75 0.21 0.00 2.12 0.39 0.07 118.70 126.55 3kvi s GLU 91 Ca -0.03 -0.44 -0.30 0.00 0.36 0.00 0.00 54.97 54.55 3kvi s GLU 91 Cb -0.19 -3.58 -0.09 0.00 0.26 0.00 0.00 34.13 30.52 3kvi s GLU 91 CO -0.00 -0.24 1.39 -1.17 -0.54 0.00 0.00 175.26 174.70 3kvi s LEU 92 N 1.70 4.40 -0.10 2.70 2.96 -0.08 -0.68 118.68 129.57 3kvi s LEU 92 Ca 0.06 2.51 0.04 0.00 -0.22 0.00 0.00 54.13 56.52 3kvi s LEU 92 Cb -0.16 -3.61 -0.09 0.00 0.50 0.00 0.00 46.19 42.83 3kvi s LEU 92 CO 0.09 -0.63 -0.04 0.54 -1.32 0.00 0.00 176.35 174.98 3kvi n ARG 93 N 2.77 1.27 -3.57 1.98 5.12 0.55 -0.18 116.66 124.60 3kvi n ARG 93 Ca 0.08 0.04 -0.17 0.00 -1.93 0.00 0.00 57.85 55.87 3kvi n ARG 93 Cb 0.41 -1.23 -0.07 0.00 -1.16 0.00 0.00 32.46 30.42 3kvi n ARG 93 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3kvi s SER 94 N -4.67 -0.64 -0.10 0.55 1.04 -1.04 -4.85 113.70 104.01 3kvi s SER 94 Ca -0.11 0.84 -0.04 0.00 0.48 0.00 0.00 55.95 57.13 3kvi s SER 94 Cb 0.03 0.75 0.05 0.00 0.10 0.00 0.00 66.02 66.95 3kvi s SER 94 CO 0.31 -0.50 0.18 -0.69 0.98 0.00 0.00 173.24 173.52 3kvi s VAL 95 N -0.79 -0.29 -0.31 5.02 1.01 -1.26 -1.40 120.40 122.39 3kvi s VAL 95 Ca -0.08 0.33 0.01 0.00 0.00 0.00 0.00 61.98 62.24 3kvi s VAL 95 Cb -0.02 -0.33 0.15 0.00 0.00 0.00 0.00 36.38 36.18 3kvi s VAL 95 CO 0.07 0.13 0.36 -1.61 0.00 0.00 0.00 175.10 174.05 3kvi s GLU 96 N 2.31 0.42 7.64 2.72 2.02 -0.07 -5.02 118.70 128.72 3kvi s GLU 96 Ca 0.03 -0.18 0.00 0.00 0.02 0.00 0.00 54.97 54.84 3kvi s GLU 96 Cb -0.12 -0.53 0.00 0.00 0.10 0.00 0.00 34.13 33.58 3kvi s GLU 96 CO -0.06 -1.07 0.00 0.41 0.02 0.00 0.00 175.26 174.56 3kvi n GLY 97 N 5.11 3.31 0.00 -1.39 0.00 -1.26 -1.55 105.19 109.42 3kvi n GLY 97 Ca 0.02 0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.18 3kvi n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kvi n ARG 98 N 10.95 0.02 -4.81 1.61 1.74 -1.26 -4.89 116.66 120.01 3kvi n ARG 98 Ca 0.00 -0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.75 3kvi n ARG 98 Cb 0.00 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 29.79 3kvi n ARG 98 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3kvi s ARG 99 N -2.98 3.35 0.05 5.56 0.52 -0.59 0.21 118.95 125.06 3kvi s ARG 99 Ca 0.14 -0.70 0.03 0.00 -0.52 0.00 0.00 55.73 54.67 3kvi s ARG 99 Cb 0.19 -2.60 -0.02 0.00 0.52 0.00 0.00 34.95 33.03 3kvi s ARG 99 CO 0.57 0.21 -0.09 -0.51 0.02 0.00 0.00 175.30 175.50 3kvi s LEU 100 N 0.35 2.25 0.01 2.53 1.02 -0.49 -0.89 118.68 123.45 3kvi s LEU 100 Ca -0.12 -0.54 0.00 0.00 0.02 0.00 0.00 54.13 53.49 3kvi s LEU 100 Cb -0.16 -0.25 -0.01 0.00 0.02 0.00 0.00 46.19 45.80 3kvi s LEU 100 CO 0.06 -0.16 -0.01 -0.55 0.02 0.00 0.00 176.35 175.70 3kvi s SER 101 N -1.54 0.12 0.10 2.29 0.15 -0.49 -0.63 113.70 113.69 3kvi s SER 101 Ca -0.08 -0.14 0.06 0.00 0.70 0.00 0.00 55.95 56.49 3kvi s SER 101 Cb -0.10 0.02 -0.03 0.00 -1.71 0.00 0.00 66.02 64.20 3kvi s SER 101 CO 0.01 -0.08 -0.15 0.26 1.20 0.00 0.00 173.24 174.48 3kvi s TRP 102 N -0.41 1.42 -0.16 3.44 0.51 -0.10 -0.33 118.94 123.31 3kvi s TRP 102 Ca -0.04 -0.49 -0.21 0.00 -2.12 0.00 0.00 56.10 53.24 3kvi s TRP 102 Cb -0.03 -0.77 -0.03 0.00 -0.81 0.00 0.00 33.47 31.84 3kvi s TRP 102 CO -0.00 0.13 0.62 0.50 -0.51 0.00 0.00 176.95 177.69 3kvi s ARG 103 N -2.19 4.27 0.00 4.98 3.52 0.14 -1.43 118.95 128.25 3kvi s ARG 103 Ca 0.05 0.64 0.02 0.00 -0.13 0.00 0.00 55.73 56.31 3kvi s ARG 103 Cb -0.08 -3.53 -0.03 0.00 -1.56 0.00 0.00 34.95 29.75 3kvi s ARG 103 CO 0.03 -0.12 -0.03 0.14 -0.81 0.00 0.00 175.30 174.51 3kvi s VAL 104 N 1.50 3.89 0.04 7.11 -7.23 0.73 -0.46 120.40 125.99 3kvi s VAL 104 Ca 0.30 -0.70 -0.08 0.00 -1.81 0.00 0.00 61.98 59.69 3kvi s VAL 104 Cb -0.16 -2.72 -0.00 0.00 0.56 0.00 0.00 36.38 34.06 3kvi s VAL 104 CO 0.12 0.38 0.17 -0.94 -0.31 0.00 0.00 175.10 174.52 3kvi s SER 105 N -1.50 0.07 -0.03 4.85 1.04 -0.08 -0.33 113.70 117.72 3kvi s SER 105 Ca 0.18 -0.40 -0.07 0.00 0.48 0.00 0.00 55.95 56.14 3kvi s SER 105 Cb -0.11 0.27 0.01 0.00 0.10 0.00 0.00 66.02 66.29 3kvi s SER 105 CO 0.09 -0.54 0.16 0.00 0.98 0.00 0.00 173.24 173.93 3kvi s ALA 106 N -2.52 -0.39 -0.02 5.32 0.00 0.10 0.38 121.76 124.63 3kvi s ALA 106 Ca -0.05 0.16 -0.08 0.00 0.00 0.00 0.00 51.96 51.99 3kvi s ALA 106 Cb -0.01 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.05 3kvi s ALA 106 CO -0.04 -0.16 0.16 -1.58 0.00 0.00 0.00 175.76 174.15 3kvi s HIS 107 N -0.73 -0.04 -0.22 0.00 2.46 -0.81 -1.19 115.29 114.77 3kvi s HIS 107 Ca -0.08 0.05 0.15 0.00 0.47 0.00 0.00 55.06 55.65 3kvi s HIS 107 Cb -0.05 -0.01 0.62 0.00 -0.13 0.00 0.00 32.58 33.02 3kvi s HIS 107 CO 0.01 -0.25 1.55 -0.40 -2.47 0.00 0.00 174.74 173.19 3kvi n ASP 108 N 1.82 4.32 0.00 9.88 5.68 -0.28 -0.31 116.55 137.66 3kvi n ASP 108 Ca -0.20 -3.09 0.00 0.00 -0.50 0.00 0.00 54.79 51.00 3kvi n ASP 108 Cb 0.56 -0.61 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 3kvi n ASP 108 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kvi n GLY 109 N -0.27 2.89 0.55 6.12 0.00 -1.24 -3.97 105.19 109.27 3kvi n GLY 109 Ca 0.26 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.18 3kvi n GLY 109 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kvi n VAL 110 N -2.00 0.58 -4.26 1.61 0.31 -1.26 -5.05 118.33 108.25 3kvi n VAL 110 Ca 0.00 -0.16 -0.22 0.00 -0.01 0.00 0.00 64.34 63.95 3kvi n VAL 110 Cb 0.00 -1.48 -0.12 0.00 -0.91 0.00 0.00 33.84 31.33 3kvi n VAL 110 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3kvi s ASP 111 N -5.74 2.21 0.22 4.52 1.01 -1.26 -5.12 116.67 112.51 3kvi s ASP 111 Ca -0.14 -0.65 -0.32 0.00 0.71 0.00 0.00 52.55 52.15 3kvi s ASP 111 Cb 0.05 -0.11 -0.12 0.00 1.01 0.00 0.00 42.92 43.76 3kvi s ASP 111 CO 0.19 0.02 1.69 -1.61 0.21 0.00 0.00 175.17 175.67 3kvi s GLU 112 N -1.79 4.13 0.00 8.23 0.41 -1.26 -1.12 118.70 127.29 3kvi s GLU 112 Ca 0.03 2.59 0.02 0.00 -0.41 0.00 0.00 54.97 57.20 3kvi s GLU 112 Cb -0.10 -3.07 -0.00 0.00 -1.78 0.00 0.00 34.13 29.18 3kvi s GLU 112 CO 0.03 -0.72 0.33 0.44 -0.49 0.00 0.00 175.26 174.85 3kvi n ILE 113 N 3.62 0.00 0.00 -1.63 -5.35 -0.33 -4.07 119.36 111.60 3kvi n ILE 113 Ca 0.14 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 3kvi n ILE 113 Cb 0.36 1.02 0.00 0.00 -1.74 0.00 0.00 39.64 39.28 3kvi n ILE 113 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kvi n GLY 114 N 0.58 2.84 3.70 3.28 0.00 -1.19 -1.08 105.19 113.31 3kvi n GLY 114 Ca 0.01 -0.93 -0.08 0.00 0.00 0.00 0.00 46.02 45.01 3kvi n GLY 114 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kvi s SER 115 N 0.00 -0.35 0.00 1.61 1.04 -1.19 -0.73 113.70 114.08 3kvi s SER 115 Ca 0.00 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.06 3kvi s SER 115 Cb 0.00 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.76 3kvi s SER 115 CO 0.00 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 173.70 3kvi n GLY 116 N -0.42 -0.54 3.25 7.32 0.00 0.55 -1.49 105.19 113.85 3kvi n GLY 116 Ca -0.08 -0.52 -0.15 0.00 0.00 0.00 0.00 46.02 45.27 3kvi n GLY 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kvi s THR 117 N -4.00 1.20 -0.02 2.61 -4.23 -0.04 -0.19 115.64 110.97 3kvi s THR 117 Ca 0.00 -1.97 -0.01 0.00 -1.18 0.00 0.00 61.69 58.53 3kvi s THR 117 Cb 0.00 -1.75 0.01 0.00 1.34 0.00 0.00 72.50 72.10 3kvi s THR 117 CO 0.00 -0.67 0.04 -2.28 -0.54 0.00 0.00 174.62 171.18 3kvi s HIS 118 N -3.03 -0.04 0.10 3.99 5.04 -0.52 -0.72 115.29 120.13 3kvi s HIS 118 Ca 0.15 0.14 0.09 0.00 -1.54 0.00 0.00 55.06 53.89 3kvi s HIS 118 Cb 0.01 -0.05 -0.04 0.00 0.04 0.00 0.00 32.58 32.54 3kvi s HIS 118 CO 0.01 -0.05 -0.22 -1.21 -2.34 0.00 0.00 174.74 170.94 3kvi s GLU 119 N 0.33 1.73 0.10 2.88 8.01 -0.63 -0.92 118.70 130.20 3kvi s GLU 119 Ca -0.03 -1.18 0.01 0.00 0.01 0.00 0.00 54.97 53.78 3kvi s GLU 119 Cb -0.04 -2.05 -0.04 0.00 -4.31 0.00 0.00 34.13 27.69 3kvi s GLU 119 CO -0.01 0.49 -0.05 1.03 0.01 0.00 0.00 175.26 176.73 3kvi s ARG 120 N -1.88 0.83 -0.07 1.61 0.52 0.20 -0.81 118.95 119.35 3kvi s ARG 120 Ca 0.15 -1.34 0.05 0.00 -0.52 0.00 0.00 55.73 54.07 3kvi s ARG 120 Cb -0.10 -0.13 -0.00 0.00 0.52 0.00 0.00 34.95 35.24 3kvi s ARG 120 CO 0.07 -0.06 -0.22 0.00 0.02 0.00 0.00 175.30 175.12 3kvi s ALA 121 N -3.69 1.93 0.29 2.13 0.00 -0.17 -1.40 121.76 120.85 3kvi s ALA 121 Ca 0.13 -0.89 -0.29 0.00 0.00 0.00 0.00 51.96 50.91 3kvi s ALA 121 Cb 0.06 -0.66 -0.10 0.00 0.00 0.00 0.00 23.12 22.42 3kvi s ALA 121 CO -0.04 0.32 1.25 0.08 0.00 0.00 0.00 175.76 177.37 3kvi s VAL 122 N 0.09 3.02 0.13 0.00 1.01 0.13 -1.14 120.40 123.65 3kvi s VAL 122 Ca -0.09 0.99 0.06 0.00 0.00 0.00 0.00 61.98 62.94 3kvi s VAL 122 Cb -0.15 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 3kvi s VAL 122 CO 0.05 0.22 -0.15 0.27 0.00 0.00 0.00 175.10 175.48 3kvi s ILE 123 N -0.89 1.44 -0.31 2.22 -4.36 0.83 -4.91 121.20 115.23 3kvi s ILE 123 Ca 0.49 -1.74 -0.21 0.00 -0.26 0.00 0.00 60.65 58.93 3kvi s ILE 123 Cb -0.37 -1.59 -0.01 0.00 1.25 0.00 0.00 42.46 41.75 3kvi s ILE 123 CO 0.47 -0.38 0.66 -2.28 0.24 0.00 0.00 174.94 173.65 3kvi s HIS 124 N -2.06 3.21 0.07 1.37 5.65 -1.26 -1.06 115.29 121.21 3kvi s HIS 124 Ca 0.10 0.62 -0.33 0.00 0.25 0.00 0.00 55.06 55.70 3kvi s HIS 124 Cb -0.05 -3.05 -0.18 0.00 -1.18 0.00 0.00 32.58 28.12 3kvi s HIS 124 CO 0.04 -0.50 1.62 -0.07 -0.65 0.00 0.00 174.74 175.17 3kvi h LEU 125 N 9.23 -0.84 -0.41 8.88 3.38 -1.12 -0.76 115.31 133.67 3kvi h LEU 125 Ca -0.26 0.04 0.08 0.00 0.09 0.00 0.00 57.88 57.82 3kvi h LEU 125 Cb 1.11 0.23 -0.07 0.00 0.09 0.00 0.00 40.66 42.03 3kvi h LEU 125 CO 0.82 -0.57 0.01 -0.33 0.09 0.00 0.00 178.44 178.47 3kvi h GLU 126 N -0.92 0.12 -0.54 1.13 4.39 -1.94 -0.07 114.58 116.75 3kvi h GLU 126 Ca -0.09 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.64 3kvi h GLU 126 Cb 0.72 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.31 3kvi h GLU 126 CO 0.12 0.08 0.32 -0.22 -1.16 0.00 0.00 179.01 178.15 3kvi h LYS 127 N 0.12 0.62 -0.09 2.33 3.64 -1.89 -2.34 116.57 118.96 3kvi h LYS 127 Ca 0.20 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3kvi h LYS 127 Cb 0.29 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3kvi h LYS 127 CO -0.33 0.41 0.06 0.35 -2.27 0.00 0.00 179.45 177.66 3kvi h PHE 128 N 0.63 0.11 -0.89 1.91 3.57 -0.46 -2.16 116.94 119.65 3kvi h PHE 128 Ca 0.22 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.88 3kvi h PHE 128 Cb 0.04 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 38.67 3kvi h PHE 128 CO -0.07 0.09 0.58 -0.91 -2.23 0.00 0.00 178.31 175.77 3kvi h ASN 129 N 0.10 0.62 -0.44 0.41 2.35 -0.82 0.00 115.58 117.79 3kvi h ASN 129 Ca 0.03 0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.74 3kvi h ASN 129 Cb 0.01 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 3kvi h ASN 129 CO -0.01 0.30 -0.01 0.00 -1.65 0.00 0.00 177.43 176.06 3kvi h ALA 130 N 1.60 1.02 -0.52 -0.83 0.00 -0.89 -0.07 119.26 119.58 3kvi h ALA 130 Ca 0.45 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3kvi h ALA 130 Cb 0.79 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3kvi h ALA 130 CO -0.21 0.60 -0.00 0.87 0.00 0.00 0.00 179.25 180.51 3kvi h LYS 131 N 0.80 0.92 -0.34 0.00 1.57 -0.45 -2.22 116.57 116.86 3kvi h LYS 131 Ca 0.15 -0.29 -0.04 0.00 -1.87 0.00 0.00 60.65 58.59 3kvi h LYS 131 Cb 0.49 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3kvi h LYS 131 CO 0.02 0.94 0.05 -0.24 -0.57 0.00 0.00 179.45 179.65 3kvi h VAL 132 N 0.79 1.24 -1.00 0.50 3.04 -0.51 -2.60 116.25 117.72 3kvi h VAL 132 Ca 0.15 -0.85 0.20 0.00 -1.01 0.00 0.00 66.70 65.18 3kvi h VAL 132 Cb 0.53 1.14 -0.10 0.00 -2.01 0.00 0.00 31.29 30.84 3kvi h VAL 132 CO 0.03 0.28 0.61 0.03 -1.01 0.00 0.00 177.57 177.52 3kvi h ARG 133 N 0.40 0.67 0.00 4.17 3.08 -0.96 -2.00 114.38 119.74 3kvi h ARG 133 Ca 0.10 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3kvi h ARG 133 Cb 0.37 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3kvi h ARG 133 CO 0.01 0.44 0.00 0.00 -1.07 0.00 0.00 179.97 179.35 3kvi n GLN 134 N -4.74 0.13 -0.17 0.04 10.64 -0.84 -1.80 117.38 120.64 3kvi n GLN 134 Ca 0.23 0.26 0.05 0.00 -1.83 0.00 0.00 57.00 55.71 3kvi n GLN 134 Cb 0.62 -1.70 0.14 0.00 -0.86 0.00 0.00 30.24 28.44 3kvi n GLN 134 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 3kvi n LYS 135 N -1.93 2.88 -2.75 2.61 2.85 -0.81 -4.97 118.16 116.04 3kvi n LYS 135 Ca 0.04 -2.03 -0.42 0.00 -1.05 0.00 0.00 58.31 54.85 3kvi n LYS 135 Cb 0.28 -1.26 -0.03 0.00 -0.65 0.00 0.00 35.03 33.37 3kvi n LYS 135 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3kvi s THR 136 N -1.06 4.79 -2.00 0.58 2.01 -0.75 -5.10 115.64 114.11 3kvi s THR 136 Ca 0.22 1.89 0.01 0.00 0.31 0.00 0.00 61.69 64.12 3kvi s THR 136 Cb 0.12 -4.25 0.02 0.00 0.01 0.00 0.00 72.50 68.40 3kvi s THR 136 CO 0.14 -0.05 0.55 -0.81 -0.69 0.00 0.00 174.62 173.76