#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 4.07 0.33 0.03 1.70 -1.26 -5.03 118.95 118.79 3kvi s ARG 6 Ca 0.00 -0.28 -0.28 0.00 -0.47 0.00 0.00 55.73 54.70 3kvi s ARG 6 Cb 0.00 -3.44 -0.10 0.00 -0.57 0.00 0.00 34.95 30.84 3kvi s ARG 6 CO 0.00 0.15 1.21 0.08 -1.08 0.00 0.00 175.30 175.66 3kvi s VAL 7 N 0.77 3.07 0.00 4.99 1.01 -1.26 -2.40 120.40 126.58 3kvi s VAL 7 Ca 0.07 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.08 3kvi s VAL 7 Cb -0.13 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.62 3kvi s VAL 7 CO 0.02 0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.94 3kvi n GLY 8 N 0.88 1.39 3.75 4.51 0.00 0.10 -4.96 105.19 110.86 3kvi n GLY 8 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.40 4.69 0.02 1.61 2.12 -1.01 -4.80 118.70 120.93 3kvi s GLU 9 Ca 0.00 1.65 0.01 0.00 0.36 0.00 0.00 54.97 56.99 3kvi s GLU 9 Cb 0.00 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 3kvi s GLU 9 CO 0.00 0.25 0.07 1.03 -0.54 0.00 0.00 175.26 176.08 3kvi s ARG 10 N -0.87 2.99 0.01 4.30 0.52 -1.26 -2.37 118.95 122.26 3kvi s ARG 10 Ca 0.45 -0.55 0.03 0.00 -0.52 0.00 0.00 55.73 55.14 3kvi s ARG 10 Cb -0.29 -2.80 -0.01 0.00 0.52 0.00 0.00 34.95 32.37 3kvi s ARG 10 CO 0.35 0.62 -0.09 -0.06 0.02 0.00 0.00 175.30 176.15 3kvi s PHE 11 N -1.23 0.76 0.13 -0.53 0.40 0.25 -4.97 117.98 112.77 3kvi s PHE 11 Ca 0.24 -0.25 0.09 0.00 -0.60 0.00 0.00 56.93 56.41 3kvi s PHE 11 Cb -0.12 -0.47 -0.04 0.00 0.51 0.00 0.00 43.02 42.90 3kvi s PHE 11 CO 0.16 -0.02 -0.22 0.95 0.70 0.00 0.00 175.22 176.79 3kvi s THR 12 N -0.57 1.89 -0.06 0.64 -4.23 -1.26 -0.60 115.64 111.46 3kvi s THR 12 Ca -0.00 -1.70 -0.03 0.00 -1.18 0.00 0.00 61.69 58.78 3kvi s THR 12 Cb -0.05 -1.75 0.04 0.00 1.34 0.00 0.00 72.50 72.08 3kvi s THR 12 CO 0.00 -0.08 0.12 -2.28 -0.54 0.00 0.00 174.62 171.84 3kvi s HIS 13 N -1.35 -0.09 -0.01 3.99 5.04 -0.43 -4.99 115.29 117.45 3kvi s HIS 13 Ca 0.11 0.46 0.01 0.00 -1.54 0.00 0.00 55.06 54.11 3kvi s HIS 13 Cb -0.09 -0.30 -0.04 0.00 0.04 0.00 0.00 32.58 32.19 3kvi s HIS 13 CO 0.05 -0.22 -0.01 -0.51 -2.34 0.00 0.00 174.74 171.71 3kvi s ASP 14 N 2.04 5.04 -0.22 9.88 1.01 -1.26 -0.74 116.67 132.42 3kvi s ASP 14 Ca 0.01 -0.02 -0.05 0.00 0.71 0.00 0.00 52.55 53.21 3kvi s ASP 14 Cb -0.12 -1.30 0.11 0.00 1.01 0.00 0.00 42.92 42.62 3kvi s ASP 14 CO -0.05 0.29 0.39 0.12 0.21 0.00 0.00 175.17 176.14 3kvi s PHE 15 N -1.05 -0.80 -0.09 4.23 5.36 -0.07 -4.99 117.98 120.57 3kvi s PHE 15 Ca 0.19 1.20 -0.30 0.00 -0.96 0.00 0.00 56.93 57.06 3kvi s PHE 15 Cb -0.11 0.17 -0.02 0.00 -0.34 0.00 0.00 43.02 42.72 3kvi s PHE 15 CO 0.09 -0.58 1.02 0.08 -1.46 0.00 0.00 175.22 174.37 3kvi s VAL 16 N 2.58 4.75 -0.21 3.12 1.01 -1.26 -0.71 120.40 129.68 3kvi s VAL 16 Ca 0.05 2.01 -0.29 0.00 0.00 0.00 0.00 61.98 63.75 3kvi s VAL 16 Cb -0.14 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 31.95 3kvi s VAL 16 CO -0.14 0.02 1.26 -0.69 0.00 0.00 0.00 175.10 175.56 3kvi s VAL 17 N 1.91 4.26 0.70 2.92 1.01 0.27 -4.91 120.40 126.56 3kvi s VAL 17 Ca 0.49 1.50 -0.06 0.00 0.00 0.00 0.00 61.98 63.91 3kvi s VAL 17 Cb -0.19 -4.06 0.06 0.00 0.00 0.00 0.00 36.38 32.19 3kvi s VAL 17 CO 0.19 -0.23 1.00 -2.16 0.00 0.00 0.00 175.10 173.90 3kvi s PRO 18 N 3.68 2.17 0.53 2.72 0.04 -1.26 -0.63 135.00 142.24 3kvi s PRO 18 Ca 0.55 -0.34 0.27 0.00 0.04 0.00 0.00 61.00 61.51 3kvi s PRO 18 Cb -0.20 -2.20 1.48 0.00 0.04 0.00 0.00 34.50 33.63 3kvi s PRO 18 CO 0.16 -1.23 2.10 -1.35 0.04 0.00 0.00 177.00 176.73 3kvi h PRO 19 N -0.56 0.00 -0.54 0.56 0.11 -1.95 -2.57 132.00 127.05 3kvi h PRO 19 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3kvi h PRO 19 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3kvi h PRO 19 CO 0.58 0.10 0.00 -2.39 -0.21 0.00 0.00 178.00 176.08 3kvi n HIS 20 N -3.75 0.38 -1.19 0.65 1.44 -1.26 -3.56 115.22 107.92 3kvi n HIS 20 Ca -0.02 -0.15 0.07 0.00 -2.01 0.00 0.00 57.72 55.61 3kvi n HIS 20 Cb 0.21 -0.10 0.19 0.00 0.12 0.00 0.00 29.99 30.40 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 0.10 1.79 -2.24 -1.40 4.76 -0.97 -4.76 118.16 115.43 3kvi n LYS 21 Ca 0.06 -2.84 -0.26 0.00 -2.87 0.00 0.00 58.31 52.40 3kvi n LYS 21 Cb 0.32 -1.64 0.08 0.00 -1.84 0.00 0.00 35.03 31.95 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 -2.98 2.25 0.20 -0.18 -4.23 -1.23 -2.09 115.64 107.38 3kvi s THR 22 Ca 0.37 -0.30 -0.17 0.00 -1.18 0.00 0.00 61.69 60.40 3kvi s THR 22 Cb 0.33 -2.95 0.17 0.00 1.34 0.00 0.00 72.50 71.39 3kvi s THR 22 CO 0.02 0.00 1.61 0.58 -0.54 0.00 0.00 174.62 176.29 3kvi h VAL 23 N -0.66 0.27 -0.11 2.29 2.07 -1.53 -1.34 116.25 117.24 3kvi h VAL 23 Ca -0.43 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.12 3kvi h VAL 23 Cb 1.30 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3kvi h VAL 23 CO 0.55 0.00 0.08 0.08 0.02 0.00 0.00 177.57 178.30 3kvi h ARG 24 N -0.10 0.00 0.00 1.57 0.11 -1.87 -1.60 114.38 112.49 3kvi h ARG 24 Ca 0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.34 3kvi h ARG 24 Cb 0.51 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.59 3kvi h ARG 24 CO -0.65 0.00 0.00 0.45 0.10 0.00 0.00 179.97 179.87 3kvi h HIS 25 N 0.00 0.00 -0.37 4.08 3.86 -1.54 -2.69 115.15 118.49 3kvi h HIS 25 Ca 0.05 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.15 3kvi h HIS 25 Cb 0.22 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 3kvi h HIS 25 CO 0.00 0.00 -0.23 1.25 0.86 0.00 0.00 177.93 179.81 3kvi h LEU 26 N 0.00 0.84 -6.71 2.43 5.85 -1.14 -3.38 115.31 113.20 3kvi h LEU 26 Ca 0.00 -0.42 -0.60 0.00 0.84 0.00 0.00 57.88 57.69 3kvi h LEU 26 Cb 0.72 -0.23 -0.40 0.00 0.37 0.00 0.00 40.66 41.12 3kvi h LEU 26 CO 0.00 1.08 -0.80 -0.31 -0.34 0.00 0.00 178.44 178.07 3kvi s TYR 27 N -4.55 2.04 0.66 1.25 2.02 -1.22 -4.94 117.35 112.61 3kvi s TYR 27 Ca -0.12 -2.65 0.40 0.00 -0.37 0.00 0.00 57.07 54.33 3kvi s TYR 27 Cb 0.10 -1.66 2.21 0.00 -0.40 0.00 0.00 41.96 42.21 3kvi s TYR 27 CO 0.84 -0.73 2.27 -1.35 -1.57 0.00 0.00 175.55 175.01 3kvi h PRO 28 N 5.78 0.00 0.00 -1.71 0.11 -1.66 -1.77 132.00 132.74 3kvi h PRO 28 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3kvi h PRO 28 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3kvi h PRO 28 CO 0.50 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.44 3kvi n GLU 29 N -3.14 0.38 -3.56 1.05 0.00 -1.26 -4.76 120.64 109.35 3kvi n GLU 29 Ca -0.03 0.07 -0.40 0.00 0.00 0.00 0.00 57.16 56.81 3kvi n GLU 29 Cb 0.14 -1.50 -0.11 0.00 0.00 0.00 0.00 31.44 29.97 3kvi n GLU 29 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3kvi s SER 30 N -2.44 5.91 0.32 -1.84 0.15 -0.67 -4.96 113.70 110.17 3kvi s SER 30 Ca 0.22 -0.51 0.02 0.00 0.70 0.00 0.00 55.95 56.38 3kvi s SER 30 Cb 0.14 -2.10 0.54 0.00 -1.71 0.00 0.00 66.02 62.89 3kvi s SER 30 CO 0.30 -0.25 1.87 -0.65 1.20 0.00 0.00 173.24 175.71 3kvi h PRO 31 N 8.46 0.66 -0.90 5.44 0.11 -1.88 -2.70 132.00 141.20 3kvi h PRO 31 Ca -0.31 -0.13 0.06 0.00 0.11 0.00 0.00 66.00 65.74 3kvi h PRO 31 Cb 1.15 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 32.09 3kvi h PRO 31 CO 0.64 0.62 0.56 0.93 -0.21 0.00 0.00 178.00 180.54 3kvi h GLU 32 N 0.64 1.00 0.00 1.05 3.07 -1.96 -2.64 114.58 115.74 3kvi h GLU 32 Ca 0.14 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 3kvi h GLU 32 Cb 0.27 -0.22 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 3kvi h GLU 32 CO 0.00 0.66 -0.20 0.74 -1.40 0.00 0.00 179.01 178.81 3kvi h PHE 33 N 1.03 0.00 0.00 4.33 0.05 -1.83 -3.18 116.94 117.33 3kvi h PHE 33 Ca 0.39 0.00 -0.04 0.00 3.82 0.00 0.00 57.97 62.14 3kvi h PHE 33 Cb 0.17 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.11 3kvi h PHE 33 CO -0.02 0.00 -0.20 0.00 -0.18 0.00 0.00 178.31 177.90 3kvi h ALA 34 N 2.24 1.51 -0.00 2.45 0.00 -1.15 -2.27 119.26 122.02 3kvi h ALA 34 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3kvi h ALA 34 Cb 0.88 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3kvi h ALA 34 CO 0.00 0.25 -0.28 -0.85 0.00 0.00 0.00 179.25 178.37 3kvi n GLU 35 N -4.07 0.51 -1.72 0.00 0.28 -1.20 -4.96 120.64 109.49 3kvi n GLU 35 Ca -0.02 -0.27 -0.36 0.00 -0.16 0.00 0.00 57.16 56.35 3kvi n GLU 35 Cb 0.28 -1.49 0.07 0.00 1.43 0.00 0.00 31.44 31.72 3kvi n GLU 35 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 3kvi s PHE 36 N -2.67 2.13 0.55 -1.84 2.99 -0.86 -4.95 117.98 113.34 3kvi s PHE 36 Ca 0.21 1.52 -0.19 0.00 0.00 0.00 0.00 56.93 58.47 3kvi s PHE 36 Cb 0.19 -3.60 -0.09 0.00 0.00 0.00 0.00 43.02 39.52 3kvi s PHE 36 CO 0.56 -2.71 0.57 -2.30 -0.00 0.00 0.00 175.22 171.34 3kvi n PRO 37 N -2.04 0.57 -2.26 0.24 -0.02 -1.26 -4.84 135.00 125.38 3kvi n PRO 37 Ca 0.15 0.22 -0.43 0.00 -2.02 0.00 0.00 63.50 61.42 3kvi n PRO 37 Cb 0.49 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 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 -0.06 3.18 -4.13 -0.52 -0.58 -1.26 -4.48 120.64 112.78 3kvi n GLU 38 Ca 0.12 -3.16 -0.14 0.00 -0.42 0.00 0.00 57.16 53.56 3kvi n GLU 38 Cb 0.47 -3.24 -0.11 0.00 -0.57 0.00 0.00 31.44 27.99 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 2.68 0.78 -0.01 2.62 -7.23 -1.26 -4.34 120.40 113.63 3kvi s VAL 39 Ca 0.47 -1.45 -0.36 0.00 -1.81 0.00 0.00 61.98 58.83 3kvi s VAL 39 Cb 0.08 -1.11 -0.15 0.00 0.56 0.00 0.00 36.38 35.77 3kvi s VAL 39 CO -0.01 -0.51 1.60 0.33 -0.31 0.00 0.00 175.10 176.21 3kvi n PHE 40 N 0.87 2.00 -2.48 2.82 -0.00 0.12 -1.61 117.46 119.17 3kvi n PHE 40 Ca -0.18 0.39 -0.40 0.00 -0.00 0.00 0.00 57.45 57.26 3kvi n PHE 40 Cb 0.57 -2.48 -0.04 0.00 -0.00 0.00 0.00 39.48 37.52 3kvi n PHE 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3kvi s ALA 41 N 2.02 3.34 0.36 3.13 0.00 -0.89 -4.75 121.76 124.97 3kvi s ALA 41 Ca 0.88 0.86 0.04 0.00 0.00 0.00 0.00 51.96 53.74 3kvi s ALA 41 Cb -0.86 -3.32 0.68 0.00 0.00 0.00 0.00 23.12 19.62 3kvi s ALA 41 CO 0.50 -0.18 1.99 0.00 0.00 0.00 0.00 175.76 178.07 3kvi h ALA 42 N 3.54 1.61 -0.29 0.00 0.00 -1.93 0.14 119.26 122.34 3kvi h ALA 42 Ca -0.47 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 3kvi h ALA 42 Cb 1.21 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3kvi h ALA 42 CO 0.66 0.33 -0.01 0.78 0.00 0.00 0.00 179.25 181.00 3kvi h GLY 43 N 0.82 0.47 1.38 0.00 0.00 -1.98 0.04 103.07 103.79 3kvi h GLY 43 Ca 0.26 -0.27 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 3kvi h GLY 43 CO -0.07 0.26 -0.71 0.74 0.00 0.00 0.00 176.54 176.76 3kvi h PHE 44 N 0.43 0.82 -0.69 5.60 0.04 -1.44 -1.91 116.94 119.79 3kvi h PHE 44 Ca 0.09 -0.34 -0.04 0.00 2.80 0.00 0.00 57.97 60.48 3kvi h PHE 44 Cb 0.31 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.29 3kvi h PHE 44 CO 0.01 1.13 0.28 1.98 -0.60 0.00 0.00 178.31 181.11 3kvi h MET 45 N 0.43 1.01 -0.16 1.51 4.05 -0.16 -0.61 114.93 121.01 3kvi h MET 45 Ca -0.03 -0.17 -0.00 0.00 -0.28 0.00 0.00 59.70 59.22 3kvi h MET 45 Cb 1.30 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.92 3kvi h MET 45 CO 0.14 0.82 0.08 0.28 0.23 0.00 0.00 176.91 178.46 3kvi h VAL 46 N 0.99 1.11 -1.00 -5.77 2.07 -0.95 -0.04 116.25 112.67 3kvi h VAL 46 Ca 0.23 -0.32 0.07 0.00 0.82 0.00 0.00 66.70 67.50 3kvi h VAL 46 Cb 0.18 1.03 -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 0.00 177.57 179.55 3kvi h GLY 47 N 0.15 1.54 1.56 2.17 0.00 -1.03 0.40 103.07 107.86 3kvi h GLY 47 Ca 0.06 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 46.79 3kvi h GLY 47 CO -0.01 0.32 -0.38 -2.00 0.00 0.00 0.00 176.54 174.48 3kvi h LEU 48 N 1.16 0.52 -0.23 3.11 5.85 -0.59 0.20 115.31 125.34 3kvi h LEU 48 Ca 0.44 -0.22 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 3kvi h LEU 48 Cb 0.19 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 3kvi h LEU 48 CO -0.18 0.85 -0.17 0.24 -0.34 0.00 0.00 178.44 178.84 3kvi h MET 49 N 0.41 0.52 -0.50 1.25 2.86 -0.21 -0.93 114.93 118.32 3kvi h MET 49 Ca 0.04 -0.25 0.08 0.00 -2.06 0.00 0.00 59.70 57.50 3kvi h MET 49 Cb 0.85 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.45 3kvi h MET 49 CO 0.07 0.82 0.14 0.93 1.06 0.00 0.00 176.91 179.94 3kvi h GLU 50 N 0.22 0.29 -0.46 1.72 5.08 -0.83 -1.85 114.58 118.75 3kvi h GLU 50 Ca 0.04 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3kvi h GLU 50 Cb 0.70 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 3kvi h GLU 50 CO 0.05 0.19 0.28 2.35 -1.00 0.00 0.00 179.01 180.88 3kvi h TRP 51 N 0.30 0.52 -0.31 4.33 2.91 -0.72 0.23 115.95 123.21 3kvi h TRP 51 Ca 0.25 0.02 0.05 0.00 1.13 0.00 0.00 58.89 60.33 3kvi h TRP 51 Cb 0.30 -0.17 -0.04 0.00 -0.51 0.00 0.00 29.16 28.73 3kvi h TRP 51 CO -0.19 0.31 0.03 0.00 -1.03 0.00 0.00 178.44 177.55 3kvi h ALA 52 N 1.19 0.30 -0.38 2.65 0.00 -0.81 -1.06 119.26 121.15 3kvi h ALA 52 Ca 0.18 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 3kvi h ALA 52 Cb -0.00 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3kvi h ALA 52 CO -0.07 -0.38 -0.15 0.00 0.00 0.00 0.00 179.25 178.65 3kvi h VAL 54 N 0.63 1.14 -0.51 0.00 2.07 -0.33 -0.84 116.25 118.40 3kvi h VAL 54 Ca 0.10 -0.29 -0.11 0.00 0.82 0.00 0.00 66.70 67.23 3kvi h VAL 54 Cb 0.60 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3kvi h VAL 54 CO 0.04 0.16 -0.09 0.03 0.02 0.00 0.00 177.57 177.72 3kvi h ARG 55 N 0.85 0.97 -0.62 1.57 3.08 -0.88 -2.14 114.38 117.21 3kvi h ARG 55 Ca 0.25 -0.36 0.01 0.00 0.07 0.00 0.00 59.98 59.95 3kvi h ARG 55 Cb -0.06 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 3kvi h ARG 55 CO -0.07 1.03 0.40 0.00 -1.07 0.00 0.00 179.97 180.26 3kvi h ALA 56 N 0.91 0.79 0.00 0.04 0.00 -1.01 -2.85 119.26 117.15 3kvi h ALA 56 Ca 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3kvi h ALA 56 Cb 0.65 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3kvi h ALA 56 CO 0.04 0.19 -0.04 0.52 0.00 0.00 0.00 179.25 179.97 3kvi h MET 57 N 0.82 0.00 -0.41 0.00 2.86 -0.97 -3.39 114.93 113.84 3kvi h MET 57 Ca 0.23 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.93 3kvi h MET 57 Cb -0.07 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.54 3kvi h MET 57 CO -0.06 0.04 0.11 0.00 1.06 0.00 0.00 176.91 178.06 3kvi h ALA 58 N 1.96 0.46 0.00 6.32 0.00 -1.13 -1.00 119.26 125.87 3kvi h ALA 58 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3kvi h ALA 58 Cb 0.66 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3kvi h ALA 58 CO 0.01 -0.29 0.00 -1.35 0.00 0.00 0.00 179.25 177.61 3kvi h PRO 59 N 0.25 0.00 -0.01 0.00 0.11 -1.78 -2.86 132.00 127.72 3kvi h PRO 59 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3kvi h PRO 59 Cb 0.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.33 3kvi h PRO 59 CO -0.23 0.00 -0.77 0.66 -0.21 0.00 0.00 178.00 177.44 3kvi n TYR 60 N -2.37 0.00 -2.65 0.65 4.01 -0.38 -4.96 117.16 111.45 3kvi n TYR 60 Ca -0.01 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.42 3kvi n TYR 60 Cb 0.09 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.09 3kvi n TYR 60 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3kvi s LEU 61 N -2.75 3.74 0.70 7.72 1.43 -1.08 -5.00 118.68 123.43 3kvi s LEU 61 Ca 0.11 1.33 -0.11 0.00 -1.03 0.00 0.00 54.13 54.44 3kvi s LEU 61 Cb 0.16 -4.24 0.02 0.00 0.03 0.00 0.00 46.19 42.16 3kvi s LEU 61 CO 0.72 -0.48 1.07 -1.61 0.23 0.00 0.00 176.35 176.28 3kvi s GLU 62 N -3.94 2.79 0.26 1.70 0.41 -1.26 -4.98 118.70 113.69 3kvi s GLU 62 Ca 0.55 0.36 -0.30 0.00 -0.41 0.00 0.00 54.97 55.17 3kvi s GLU 62 Cb -0.10 -2.05 -0.10 0.00 -1.78 0.00 0.00 34.13 30.10 3kvi s GLU 62 CO 0.31 -1.03 1.32 -2.14 -0.49 0.00 0.00 175.26 173.23 3kvi s PRO 63 N -5.32 4.37 0.00 0.39 0.02 -1.26 -2.08 135.00 131.12 3kvi s PRO 63 Ca 0.58 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.75 3kvi s PRO 63 Cb -0.11 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.28 3kvi s PRO 63 CO 0.50 -0.23 0.00 0.41 -0.33 0.00 0.00 177.00 177.35 3kvi n GLY 64 N 1.68 0.67 3.90 0.52 0.00 -1.26 -5.05 105.19 105.65 3kvi n GLY 64 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.84 3.63 0.00 1.61 2.02 -0.88 -0.47 118.70 123.77 3kvi s GLU 65 Ca 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 54.97 54.95 3kvi s GLU 65 Cb 0.00 -2.71 0.00 0.00 0.10 0.00 0.00 34.13 31.52 3kvi s GLU 65 CO 0.00 0.30 0.00 0.41 0.02 0.00 0.00 175.26 175.99 3kvi n GLY 66 N -0.65 4.59 3.30 -1.39 0.00 -0.19 -4.83 105.19 106.03 3kvi n GLY 66 Ca -0.02 -1.18 -0.09 0.00 0.00 0.00 0.00 46.02 44.73 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 1.30 0.06 0.07 1.61 1.04 -1.26 -1.07 113.70 115.45 3kvi s SER 67 Ca 0.00 -0.83 0.07 0.00 0.48 0.00 0.00 55.95 55.68 3kvi s SER 67 Cb 0.00 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.50 3kvi s SER 67 CO 0.00 -0.85 -0.19 -0.76 0.98 0.00 0.00 173.24 172.42 3kvi s LEU 68 N -2.94 2.24 0.21 2.42 1.43 0.20 -4.89 118.68 117.34 3kvi s LEU 68 Ca 0.14 -0.59 -0.30 0.00 -1.03 0.00 0.00 54.13 52.35 3kvi s LEU 68 Cb 0.04 -0.83 -0.09 0.00 0.03 0.00 0.00 46.19 45.33 3kvi s LEU 68 CO -0.03 0.07 1.34 -0.83 0.23 0.00 0.00 176.35 177.14 3kvi s GLY 69 N -1.55 2.42 -0.00 -3.19 0.00 -1.26 -0.67 107.32 103.06 3kvi s GLY 69 Ca 0.05 1.15 0.04 0.00 0.00 0.00 0.00 44.72 45.96 3kvi s GLY 69 CO 0.03 2.12 0.15 -1.30 0.00 0.00 0.00 173.10 174.10 3kvi n THR 70 N 2.60 0.00 -3.54 0.90 -2.24 0.35 -4.89 114.28 107.46 3kvi n THR 70 Ca 0.06 -0.34 -0.11 0.00 -2.27 0.00 0.00 64.05 61.39 3kvi n THR 70 Cb 0.42 0.87 -0.04 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 -1.56 -1.86 -0.02 6.98 0.00 -1.15 -4.94 121.76 119.21 3kvi s ALA 71 Ca 0.01 1.35 -0.02 0.00 0.00 0.00 0.00 51.96 53.30 3kvi s ALA 71 Cb 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.93 3kvi s ALA 71 CO 0.16 -0.44 0.05 -1.50 0.00 0.00 0.00 175.76 174.03 3kvi s ILE 72 N -1.75 0.01 -0.29 0.00 1.10 -1.26 -1.56 121.20 117.44 3kvi s ILE 72 Ca -0.02 -0.10 0.01 0.00 -0.51 0.00 0.00 60.65 60.03 3kvi s ILE 72 Cb -0.01 -0.11 0.15 0.00 0.15 0.00 0.00 42.46 42.65 3kvi s ILE 72 CO -0.00 -0.06 0.37 0.00 -2.11 0.00 0.00 174.94 173.14 3kvi s VAL 74 N 2.44 0.17 0.47 0.00 -7.23 -1.26 -0.56 120.40 114.42 3kvi s VAL 74 Ca 0.10 -1.36 -0.01 0.00 -1.81 0.00 0.00 61.98 58.90 3kvi s VAL 74 Cb -0.13 -1.19 -0.00 0.00 0.56 0.00 0.00 36.38 35.62 3kvi s VAL 74 CO -0.30 -0.75 0.71 0.42 -0.31 0.00 0.00 175.10 174.86 3kvi s THR 75 N -3.31 3.95 -0.22 5.32 -4.23 -0.46 -4.93 115.64 111.76 3kvi s THR 75 Ca 0.01 -0.42 -0.02 0.00 -1.18 0.00 0.00 61.69 60.09 3kvi s THR 75 Cb 0.03 -3.47 0.07 0.00 1.34 0.00 0.00 72.50 70.46 3kvi s THR 75 CO -0.08 -0.36 0.02 -1.00 -0.54 0.00 0.00 174.62 172.67 3kvi s HIS 76 N -2.62 1.40 -0.29 3.99 0.09 -1.26 -3.43 115.29 113.17 3kvi s HIS 76 Ca 0.49 -1.16 0.11 0.00 -0.00 0.00 0.00 55.06 54.50 3kvi s HIS 76 Cb -0.10 -1.23 -0.15 0.00 -0.00 0.00 0.00 32.58 31.10 3kvi s HIS 76 CO 0.39 -0.68 0.38 0.25 -0.00 0.00 0.00 174.74 175.07 3kvi n THR 77 N 4.94 0.00 -3.70 1.30 -2.24 -0.35 -4.97 114.28 109.26 3kvi n THR 77 Ca -0.09 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.32 3kvi n THR 77 Cb 0.46 0.64 -0.07 0.00 -2.10 0.00 0.00 70.33 69.26 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 -2.42 -0.91 0.09 6.98 0.00 -1.26 -4.99 121.76 119.25 3kvi s ALA 78 Ca 0.00 0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.26 3kvi s ALA 78 Cb 0.08 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.43 3kvi s ALA 78 CO 0.47 -0.40 0.13 0.00 0.00 0.00 0.00 175.76 175.97 3kvi s ALA 79 N -2.22 3.72 -0.15 0.00 0.00 -1.26 -4.77 121.76 117.08 3kvi s ALA 79 Ca -0.07 -0.98 -0.00 0.00 0.00 0.00 0.00 51.96 50.90 3kvi s ALA 79 Cb -0.02 -1.56 0.04 0.00 0.00 0.00 0.00 23.12 21.58 3kvi s ALA 79 CO -0.01 0.74 -0.06 0.99 0.00 0.00 0.00 175.76 177.42 3kvi s THR 80 N -1.48 1.12 0.60 0.00 2.01 -1.26 -5.01 115.64 111.62 3kvi s THR 80 Ca 0.31 -0.56 -0.13 0.00 0.31 0.00 0.00 61.69 61.63 3kvi s THR 80 Cb -0.12 -1.25 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 3kvi s THR 80 CO 0.24 0.20 1.02 -2.16 -0.69 0.00 0.00 174.62 173.24 3kvi s PRO 81 N 1.64 3.58 0.57 4.92 0.04 -1.26 0.11 135.00 144.59 3kvi s PRO 81 Ca 0.02 0.89 -0.21 0.00 0.04 0.00 0.00 61.00 61.74 3kvi s PRO 81 Cb -0.15 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 3kvi s PRO 81 CO -0.08 -0.58 1.26 -2.30 0.04 0.00 0.00 177.00 175.34 3kvi n PRO 82 N -2.38 1.44 0.00 0.56 -0.02 -1.26 -3.17 135.00 130.17 3kvi n PRO 82 Ca 0.07 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3kvi n PRO 82 Cb 0.54 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 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 0.90 2.23 3.83 -1.23 0.00 0.19 -4.99 105.19 106.13 3kvi n GLY 83 Ca 0.12 0.00 -0.31 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 3.27 -0.27 0.99 1.43 -1.19 -4.74 118.68 118.17 3kvi s LEU 84 Ca 0.00 1.60 -0.12 0.00 -1.03 0.00 0.00 54.13 54.59 3kvi s LEU 84 Cb 0.00 -4.50 -0.05 0.00 0.03 0.00 0.00 46.19 41.68 3kvi s LEU 84 CO 0.00 -1.17 0.23 -0.89 0.23 0.00 0.00 176.35 174.75 3kvi s THR 85 N -2.92 5.29 -0.22 5.49 2.01 -1.26 -0.56 115.64 123.46 3kvi s THR 85 Ca 0.58 0.27 -0.18 0.00 0.31 0.00 0.00 61.69 62.67 3kvi s THR 85 Cb -0.13 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 3kvi s THR 85 CO 0.49 0.24 0.53 -0.69 -0.69 0.00 0.00 174.62 174.50 3kvi s VAL 86 N 1.71 5.08 -0.24 3.82 1.01 0.11 -3.66 120.40 128.24 3kvi s VAL 86 Ca 0.09 0.95 -0.08 0.00 0.00 0.00 0.00 61.98 62.94 3kvi s VAL 86 Cb -0.16 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 3kvi s VAL 86 CO 0.10 0.14 0.10 -0.89 0.00 0.00 0.00 175.10 174.55 3kvi s THR 87 N 1.91 4.74 -0.10 3.92 2.01 0.41 -0.89 115.64 127.65 3kvi s THR 87 Ca 0.24 -0.03 -0.15 0.00 0.31 0.00 0.00 61.69 62.06 3kvi s THR 87 Cb -0.15 -3.21 -0.05 0.00 0.01 0.00 0.00 72.50 69.10 3kvi s THR 87 CO 0.09 0.35 0.36 -0.69 -0.69 0.00 0.00 174.62 174.04 3kvi s VAL 88 N 1.30 5.21 -0.19 3.82 1.01 0.08 -1.56 120.40 130.06 3kvi s VAL 88 Ca 0.06 0.70 -0.03 0.00 0.00 0.00 0.00 61.98 62.71 3kvi s VAL 88 Cb -0.15 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 3kvi s VAL 88 CO 0.05 0.45 -0.06 -0.89 0.00 0.00 0.00 175.10 174.64 3kvi s THR 89 N -0.06 3.34 -0.09 3.92 2.01 0.31 -1.31 115.64 123.76 3kvi s THR 89 Ca 0.21 -0.52 0.01 0.00 0.31 0.00 0.00 61.69 61.69 3kvi s THR 89 Cb -0.14 -2.49 -0.02 0.00 0.01 0.00 0.00 72.50 69.85 3kvi s THR 89 CO 0.08 0.45 -0.10 0.00 -0.69 0.00 0.00 174.62 174.36 3kvi s ALA 90 N 1.13 2.78 -0.08 7.40 0.00 0.24 -0.79 121.76 132.43 3kvi s ALA 90 Ca 0.01 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.08 3kvi s ALA 90 Cb -0.15 -1.20 0.02 0.00 0.00 0.00 0.00 23.12 21.80 3kvi s ALA 90 CO -0.01 0.41 -0.08 -2.00 0.00 0.00 0.00 175.76 174.08 3kvi s GLU 91 N -0.25 1.44 0.00 0.00 2.12 0.17 -0.59 118.70 121.58 3kvi s GLU 91 Ca 0.02 -0.27 -0.30 0.00 0.36 0.00 0.00 54.97 54.78 3kvi s GLU 91 Cb -0.13 -1.38 -0.05 0.00 0.26 0.00 0.00 34.13 32.83 3kvi s GLU 91 CO 0.03 -0.14 1.29 -1.17 -0.54 0.00 0.00 175.26 174.73 3kvi s LEU 92 N 1.25 4.32 -0.14 2.70 2.96 -1.00 -0.81 118.68 127.94 3kvi s LEU 92 Ca -0.04 2.01 -0.11 0.00 -0.22 0.00 0.00 54.13 55.76 3kvi s LEU 92 Cb -0.14 -3.57 -0.24 0.00 0.50 0.00 0.00 46.19 42.74 3kvi s LEU 92 CO -0.03 -0.62 0.32 0.54 -1.32 0.00 0.00 176.35 175.25 3kvi n ARG 93 N 4.91 0.70 -3.51 1.98 1.74 0.20 0.01 116.66 122.69 3kvi n ARG 93 Ca 0.11 0.36 -0.09 0.00 -0.77 0.00 0.00 57.85 57.46 3kvi n ARG 93 Cb 0.45 -1.72 -0.02 0.00 -1.02 0.00 0.00 32.46 30.15 3kvi n ARG 93 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3kvi s SER 94 N -7.00 -0.42 -0.06 0.55 1.04 -1.09 -4.83 113.70 101.89 3kvi s SER 94 Ca -0.24 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.13 3kvi s SER 94 Cb 0.06 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.69 3kvi s SER 94 CO 0.72 -0.79 -0.04 -0.69 0.98 0.00 0.00 173.24 173.42 3kvi s VAL 95 N -3.38 0.54 -0.21 5.02 1.01 -1.26 -1.01 120.40 121.11 3kvi s VAL 95 Ca 0.04 -0.07 -0.04 0.00 0.00 0.00 0.00 61.98 61.91 3kvi s VAL 95 Cb -0.01 -0.60 0.07 0.00 0.00 0.00 0.00 36.38 35.84 3kvi s VAL 95 CO -0.09 0.25 0.10 -1.61 0.00 0.00 0.00 175.10 173.75 3kvi s GLU 96 N 1.28 0.17 7.22 2.72 2.02 0.49 -5.00 118.70 127.59 3kvi s GLU 96 Ca -0.05 -0.26 0.00 0.00 0.02 0.00 0.00 54.97 54.68 3kvi s GLU 96 Cb -0.14 -1.68 0.00 0.00 0.10 0.00 0.00 34.13 32.41 3kvi s GLU 96 CO -0.02 -0.77 0.00 0.41 0.02 0.00 0.00 175.26 174.90 3kvi n GLY 97 N 5.24 3.75 0.21 -1.39 0.00 -1.26 -1.36 105.19 110.38 3kvi n GLY 97 Ca -0.07 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.09 3kvi n GLY 97 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kvi n ARG 98 N 14.00 1.29 -4.03 1.61 1.85 -1.26 -4.83 116.66 125.29 3kvi n ARG 98 Ca 0.00 -0.42 -0.34 0.00 -1.00 0.00 0.00 57.85 56.09 3kvi n ARG 98 Cb 0.00 -1.46 -0.10 0.00 -1.05 0.00 0.00 32.46 29.85 3kvi n ARG 98 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 3kvi s ARG 99 N -1.98 3.95 -0.05 2.89 3.52 -0.46 -0.52 118.95 126.30 3kvi s ARG 99 Ca 0.41 -0.36 0.06 0.00 -0.13 0.00 0.00 55.73 55.70 3kvi s ARG 99 Cb 0.20 -3.20 -0.01 0.00 -1.56 0.00 0.00 34.95 30.38 3kvi s ARG 99 CO 0.33 0.26 -0.22 -0.51 -0.81 0.00 0.00 175.30 174.35 3kvi s LEU 100 N 0.40 2.01 -0.03 -0.88 1.02 -0.39 -0.38 118.68 120.43 3kvi s LEU 100 Ca 0.03 -0.44 0.07 0.00 0.02 0.00 0.00 54.13 53.80 3kvi s LEU 100 Cb -0.13 -1.20 -0.01 0.00 0.02 0.00 0.00 46.19 44.87 3kvi s LEU 100 CO 0.00 0.21 -0.22 -0.44 0.02 0.00 0.00 176.35 175.93 3kvi s SER 101 N -0.13 2.63 0.07 2.29 0.01 -0.18 -0.72 113.70 117.67 3kvi s SER 101 Ca -0.02 -0.41 0.06 0.00 1.31 0.00 0.00 55.95 56.88 3kvi s SER 101 Cb -0.12 -0.40 -0.03 0.00 0.21 0.00 0.00 66.02 65.68 3kvi s SER 101 CO 0.03 0.26 -0.17 0.26 0.41 0.00 0.00 173.24 174.03 3kvi s TRP 102 N -0.42 1.43 -0.19 2.43 0.52 0.91 0.59 118.94 124.21 3kvi s TRP 102 Ca 0.06 -0.41 -0.08 0.00 0.02 0.00 0.00 56.10 55.69 3kvi s TRP 102 Cb -0.10 -0.82 -0.04 0.00 -1.15 0.00 0.00 33.47 31.37 3kvi s TRP 102 CO 0.00 0.09 0.09 0.50 0.02 0.00 0.00 176.95 177.65 3kvi s ARG 103 N -1.54 4.02 0.08 4.98 3.00 0.01 -1.88 118.95 127.62 3kvi s ARG 103 Ca 0.02 -0.30 0.07 0.00 -1.00 0.00 0.00 55.73 54.53 3kvi s ARG 103 Cb -0.09 -3.28 -0.03 0.00 0.00 0.00 0.00 34.95 31.55 3kvi s ARG 103 CO 0.02 0.30 -0.19 0.14 0.00 0.00 0.00 175.30 175.58 3kvi s VAL 104 N 0.31 1.53 0.07 7.11 -7.23 0.08 -0.66 120.40 121.62 3kvi s VAL 104 Ca 0.05 -1.41 -0.09 0.00 -1.81 0.00 0.00 61.98 58.72 3kvi s VAL 104 Cb -0.12 -1.40 -0.00 0.00 0.56 0.00 0.00 36.38 35.42 3kvi s VAL 104 CO -0.01 -0.06 0.19 -0.44 -0.31 0.00 0.00 175.10 174.47 3kvi s SER 105 N -1.72 0.10 -0.10 4.85 0.01 0.03 -0.92 113.70 115.94 3kvi s SER 105 Ca 0.04 -0.58 -0.16 0.00 1.31 0.00 0.00 55.95 56.56 3kvi s SER 105 Cb -0.10 0.32 0.04 0.00 0.21 0.00 0.00 66.02 66.50 3kvi s SER 105 CO 0.03 -0.68 0.42 0.00 0.41 0.00 0.00 173.24 173.42 3kvi s ALA 106 N -3.50 -1.04 -0.03 1.44 0.00 -0.08 -0.53 121.76 118.02 3kvi s ALA 106 Ca 0.02 0.93 -0.02 0.00 0.00 0.00 0.00 51.96 52.89 3kvi s ALA 106 Cb 0.03 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.78 3kvi s ALA 106 CO -0.09 -0.24 0.07 -1.58 0.00 0.00 0.00 175.76 173.92 3kvi s HIS 107 N -0.42 -0.08 -0.25 0.00 5.04 -0.60 -0.05 115.29 118.92 3kvi s HIS 107 Ca -0.06 0.20 0.13 0.00 -1.54 0.00 0.00 55.06 53.80 3kvi s HIS 107 Cb -0.03 0.01 0.76 0.00 0.04 0.00 0.00 32.58 33.35 3kvi s HIS 107 CO 0.03 -0.05 1.72 -0.40 -2.34 0.00 0.00 174.74 173.70 3kvi n ASP 108 N 3.16 5.22 0.00 9.88 5.68 -0.34 -0.44 116.55 139.71 3kvi n ASP 108 Ca -0.14 -3.04 0.00 0.00 -0.50 0.00 0.00 54.79 51.11 3kvi n ASP 108 Cb 0.59 -0.68 0.00 0.00 -1.14 0.00 0.00 41.12 39.88 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 0.23 2.84 0.97 6.12 0.00 -1.24 -4.03 105.19 110.08 3kvi n GLY 109 Ca 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.31 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 0.57 -4.27 1.61 0.31 -1.26 -5.08 118.33 108.21 3kvi n VAL 110 Ca 0.00 0.15 -0.22 0.00 -0.01 0.00 0.00 64.34 64.26 3kvi n VAL 110 Cb 0.00 -1.57 -0.12 0.00 -0.91 0.00 0.00 33.84 31.24 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 -5.49 2.39 0.26 4.52 1.01 -1.26 -5.11 116.67 112.99 3kvi s ASP 111 Ca -0.02 -0.71 -0.30 0.00 0.71 0.00 0.00 52.55 52.23 3kvi s ASP 111 Cb 0.01 -0.12 -0.11 0.00 1.01 0.00 0.00 42.92 43.70 3kvi s ASP 111 CO 0.02 0.01 1.55 -0.70 0.21 0.00 0.00 175.17 176.26 3kvi s GLU 112 N -2.08 4.18 0.00 8.23 2.12 -1.26 -1.20 118.70 128.68 3kvi s GLU 112 Ca 0.07 2.47 0.04 0.00 0.36 0.00 0.00 54.97 57.90 3kvi s GLU 112 Cb -0.09 -3.07 -0.03 0.00 0.26 0.00 0.00 34.13 31.20 3kvi s GLU 112 CO 0.04 -0.57 0.21 0.44 -0.54 0.00 0.00 175.26 174.85 3kvi n ILE 113 N 2.50 0.00 -3.63 -3.70 -5.35 0.92 -4.09 119.36 106.02 3kvi n ILE 113 Ca 0.09 -0.42 -0.03 0.00 -0.27 0.00 0.00 62.75 62.11 3kvi n ILE 113 Cb 0.38 1.01 -0.03 0.00 -1.74 0.00 0.00 39.64 39.26 3kvi n ILE 113 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3kvi s GLY 114 N -1.23 -0.10 -0.08 3.28 0.00 -1.03 -1.21 107.32 106.94 3kvi s GLY 114 Ca 0.02 2.24 -0.30 0.00 0.00 0.00 0.00 44.72 46.68 3kvi s GLY 114 CO 0.14 0.84 0.85 -1.35 0.00 0.00 0.00 173.10 173.58 3kvi s SER 115 N -1.56 -0.48 0.00 1.64 1.04 -1.22 -0.91 113.70 112.21 3kvi s SER 115 Ca 0.09 0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.93 3kvi s SER 115 Cb -0.01 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.52 3kvi s SER 115 CO -0.05 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.26 3kvi n GLY 116 N 0.55 -0.70 3.27 7.32 0.00 -0.10 -1.36 105.19 114.18 3kvi n GLY 116 Ca -0.13 -0.27 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 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 1.31 -0.07 2.61 -4.23 0.27 -0.74 115.64 110.79 3kvi s THR 117 Ca 0.00 -2.07 -0.08 0.00 -1.18 0.00 0.00 61.69 58.36 3kvi s THR 117 Cb 0.00 -1.87 0.02 0.00 1.34 0.00 0.00 72.50 71.99 3kvi s THR 117 CO 0.00 -0.69 0.22 -2.28 -0.54 0.00 0.00 174.62 171.33 3kvi s HIS 118 N -3.16 -0.21 0.10 3.99 5.04 -0.79 -0.45 115.29 119.80 3kvi s HIS 118 Ca 0.17 0.50 0.08 0.00 -1.54 0.00 0.00 55.06 54.28 3kvi s HIS 118 Cb 0.01 0.07 -0.03 0.00 0.04 0.00 0.00 32.58 32.67 3kvi s HIS 118 CO 0.02 -0.15 -0.20 -1.21 -2.34 0.00 0.00 174.74 170.87 3kvi s GLU 119 N -0.10 1.08 0.13 2.88 8.01 -0.60 -0.06 118.70 130.03 3kvi s GLU 119 Ca -0.02 -1.14 0.00 0.00 0.01 0.00 0.00 54.97 53.82 3kvi s GLU 119 Cb -0.02 -1.28 -0.04 0.00 -4.31 0.00 0.00 34.13 28.47 3kvi s GLU 119 CO 0.01 0.29 0.02 1.03 0.01 0.00 0.00 175.26 176.62 3kvi s ARG 120 N -1.93 0.92 -0.03 1.61 0.52 0.10 -0.50 118.95 119.64 3kvi s ARG 120 Ca 0.05 -1.43 0.02 0.00 -0.52 0.00 0.00 55.73 53.86 3kvi s ARG 120 Cb -0.10 0.05 0.01 0.00 0.52 0.00 0.00 34.95 35.43 3kvi s ARG 120 CO 0.04 -0.18 -0.09 0.00 0.02 0.00 0.00 175.30 175.09 3kvi s ALA 121 N -3.88 0.92 0.17 2.13 0.00 0.15 -1.26 121.76 120.00 3kvi s ALA 121 Ca 0.20 -0.33 -0.30 0.00 0.00 0.00 0.00 51.96 51.53 3kvi s ALA 121 Cb 0.07 -0.37 -0.08 0.00 0.00 0.00 0.00 23.12 22.74 3kvi s ALA 121 CO 0.00 0.13 1.27 0.08 0.00 0.00 0.00 175.76 177.25 3kvi s VAL 122 N 0.31 3.41 0.12 0.00 1.01 0.32 -0.63 120.40 124.94 3kvi s VAL 122 Ca -0.05 1.13 0.05 0.00 0.00 0.00 0.00 61.98 63.11 3kvi s VAL 122 Cb -0.10 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 3kvi s VAL 122 CO 0.01 0.15 -0.13 0.27 0.00 0.00 0.00 175.10 175.40 3kvi s ILE 123 N 0.28 1.27 -0.45 2.22 -4.36 -0.23 -4.93 121.20 115.00 3kvi s ILE 123 Ca 0.57 -1.75 -0.26 0.00 -0.26 0.00 0.00 60.65 58.95 3kvi s ILE 123 Cb -0.35 -1.54 0.03 0.00 1.25 0.00 0.00 42.46 41.85 3kvi s ILE 123 CO 0.36 -0.47 0.96 -2.28 0.24 0.00 0.00 174.94 173.75 3kvi s HIS 124 N -2.31 2.93 0.19 1.37 5.65 -1.26 -1.02 115.29 120.84 3kvi s HIS 124 Ca 0.09 0.49 -0.12 0.00 0.25 0.00 0.00 55.06 55.78 3kvi s HIS 124 Cb -0.04 -4.00 0.17 0.00 -1.18 0.00 0.00 32.58 27.53 3kvi s HIS 124 CO 0.02 -1.09 1.80 -0.07 -0.65 0.00 0.00 174.74 174.75 3kvi h LEU 125 N 10.60 0.46 -0.44 8.88 3.38 -1.10 0.25 115.31 137.34 3kvi h LEU 125 Ca -0.24 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.65 3kvi h LEU 125 Cb 1.07 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 3kvi h LEU 125 CO 1.04 0.31 -0.16 -0.08 0.09 0.00 0.00 178.44 179.63 3kvi h GLU 126 N 0.59 0.89 -0.19 1.13 4.81 -1.93 0.25 114.58 120.13 3kvi h GLU 126 Ca 0.25 -0.37 -0.04 0.00 -0.13 0.00 0.00 59.36 59.07 3kvi h GLU 126 Cb 0.13 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 3kvi h GLU 126 CO -0.15 1.01 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.89 3kvi h LYS 127 N 0.72 0.36 -0.34 1.92 3.64 -1.88 -1.74 116.57 119.26 3kvi h LYS 127 Ca 0.10 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3kvi h LYS 127 Cb 0.72 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 3kvi h LYS 127 CO 0.05 0.60 0.13 0.35 -2.27 0.00 0.00 179.45 178.32 3kvi h PHE 128 N 0.09 0.52 -0.53 1.91 3.57 -0.74 -1.82 116.94 119.96 3kvi h PHE 128 Ca 0.05 -0.04 0.11 0.00 3.53 0.00 0.00 57.97 61.62 3kvi h PHE 128 Cb 0.45 -0.16 -0.10 0.00 2.79 0.00 0.00 35.95 38.93 3kvi h PHE 128 CO 0.05 0.49 -0.15 -0.91 -2.23 0.00 0.00 178.31 175.56 3kvi h ASN 129 N 0.40 -0.55 -0.87 0.41 2.35 -0.38 -0.13 115.58 116.81 3kvi h ASN 129 Ca 0.11 0.16 0.10 0.00 -0.55 0.00 0.00 56.30 56.12 3kvi h ASN 129 Cb 0.19 0.35 -0.06 0.00 0.05 0.00 0.00 38.32 38.85 3kvi h ASN 129 CO -0.01 -0.19 0.57 0.00 -1.65 0.00 0.00 177.43 176.15 3kvi h ALA 130 N 1.48 1.66 -0.24 -0.83 0.00 -1.02 0.51 119.26 120.81 3kvi h ALA 130 Ca 0.25 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.00 3kvi h ALA 130 Cb 0.41 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3kvi h ALA 130 CO -0.55 0.17 -0.48 0.87 0.00 0.00 0.00 179.25 179.25 3kvi h LYS 131 N 0.86 0.74 -0.58 0.00 1.57 -0.50 -2.35 116.57 116.31 3kvi h LYS 131 Ca 0.40 -0.48 0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3kvi h LYS 131 Cb 0.41 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 3kvi h LYS 131 CO -0.17 1.11 0.37 0.28 -0.57 0.00 0.00 179.45 180.47 3kvi h VAL 132 N 0.47 1.11 -0.54 0.50 2.07 -0.24 -2.31 116.25 117.31 3kvi h VAL 132 Ca 0.01 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.32 3kvi h VAL 132 Cb 1.09 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3kvi h VAL 132 CO 0.11 0.14 0.36 0.03 0.02 0.00 0.00 177.57 178.22 3kvi h ARG 133 N 0.74 0.53 0.00 1.57 3.08 -0.84 -0.39 114.38 119.07 3kvi h ARG 133 Ca 0.22 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 3kvi h ARG 133 Cb -0.04 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.89 3kvi h ARG 133 CO -0.07 0.35 -0.04 1.96 -1.07 0.00 0.00 179.97 181.10 3kvi h GLN 134 N 0.55 0.00 0.00 0.04 4.20 -0.90 -2.37 115.11 116.63 3kvi h GLN 134 Ca 0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 3kvi h GLN 134 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 3kvi h GLN 134 CO -0.06 0.04 -0.10 -0.22 -0.67 0.00 0.00 178.83 177.82 3kvi h LYS 135 N 0.00 0.00 -6.59 1.46 3.64 -0.60 -3.47 116.57 111.01 3kvi h LYS 135 Ca -0.00 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.86 3kvi h LYS 135 Cb 0.95 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.76 3kvi h LYS 135 CO 0.01 0.00 0.45 0.99 -2.27 0.00 0.00 179.45 178.62 3kvi s THR 136 N -3.18 4.15 -2.00 1.00 2.01 -0.79 -5.11 115.64 111.72 3kvi s THR 136 Ca 0.08 1.76 0.25 0.00 0.31 0.00 0.00 61.69 64.08 3kvi s THR 136 Cb 0.09 -4.12 0.70 0.00 0.01 0.00 0.00 72.50 69.17 3kvi s THR 136 CO 0.65 0.26 1.83 -0.81 -0.69 0.00 0.00 174.62 175.86