#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kvz s ARG 6 N 0.00 4.42 0.33 0.03 0.52 -1.26 -5.03 118.95 117.96 3kvz s ARG 6 Ca 0.00 0.87 -0.26 0.00 -0.52 0.00 0.00 55.73 55.82 3kvz s ARG 6 Cb 0.00 -3.41 -0.13 0.00 0.52 0.00 0.00 34.95 31.93 3kvz s ARG 6 CO 0.00 0.18 0.87 0.28 0.02 0.00 0.00 175.30 176.65 3kvz n VAL 7 N 3.34 2.04 0.00 3.52 0.31 -1.26 -2.52 118.33 123.76 3kvz n VAL 7 Ca -0.03 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.80 3kvz n VAL 7 Cb 0.51 -0.84 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 3kvz n VAL 7 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kvz n GLY 8 N 1.40 1.60 3.74 2.92 0.00 0.19 -5.00 105.19 110.03 3kvz n GLY 8 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3kvz n GLY 8 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kvz s GLU 9 N -0.56 4.64 -0.00 1.61 -1.05 -1.05 -4.78 118.70 117.51 3kvz s GLU 9 Ca 0.00 1.68 0.02 0.00 -0.15 0.00 0.00 54.97 56.52 3kvz s GLU 9 Cb 0.00 -3.28 -0.03 0.00 -0.44 0.00 0.00 34.13 30.38 3kvz s GLU 9 CO 0.00 0.15 -0.04 1.03 0.95 0.00 0.00 175.26 177.36 3kvz s ARG 10 N -0.55 2.67 -0.04 -4.83 0.52 -1.26 -2.44 118.95 113.02 3kvz s ARG 10 Ca 0.48 -0.66 0.04 0.00 -0.52 0.00 0.00 55.73 55.07 3kvz s ARG 10 Cb -0.29 -2.59 -0.00 0.00 0.52 0.00 0.00 34.95 32.60 3kvz s ARG 10 CO 0.35 0.62 -0.16 0.12 0.02 0.00 0.00 175.30 176.24 3kvz s PHE 11 N -1.02 1.66 0.29 -0.53 2.19 -0.32 -4.99 117.98 115.25 3kvz s PHE 11 Ca 0.18 -0.48 0.02 0.00 0.33 0.00 0.00 56.93 56.98 3kvz s PHE 11 Cb -0.11 -1.12 -0.06 0.00 -1.31 0.00 0.00 43.02 40.42 3kvz s PHE 11 CO 0.08 -0.16 0.08 0.95 1.83 0.00 0.00 175.22 178.00 3kvz s THR 12 N 0.06 0.80 -0.30 0.12 -4.23 -1.26 -0.87 115.64 109.97 3kvz s THR 12 Ca -0.04 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.33 3kvz s THR 12 Cb -0.11 -2.70 0.15 0.00 1.34 0.00 0.00 72.50 71.18 3kvz s THR 12 CO 0.02 0.00 0.89 -2.28 -0.54 0.00 0.00 174.62 172.71 3kvz s HIS 13 N -3.58 -0.83 0.07 3.99 2.46 -0.99 -5.00 115.29 111.41 3kvz s HIS 13 Ca 0.37 1.50 0.09 0.00 0.47 0.00 0.00 55.06 57.49 3kvz s HIS 13 Cb 0.08 0.50 -0.03 0.00 -0.13 0.00 0.00 32.58 33.00 3kvz s HIS 13 CO 0.14 -0.41 -0.23 -0.51 -2.47 0.00 0.00 174.74 171.26 3kvz s ASP 14 N 2.21 2.83 -0.18 9.88 1.01 -1.26 -0.36 116.67 130.80 3kvz s ASP 14 Ca -0.05 -0.62 -0.05 0.00 0.71 0.00 0.00 52.55 52.54 3kvz s ASP 14 Cb -0.07 -0.22 0.09 0.00 1.01 0.00 0.00 42.92 43.74 3kvz s ASP 14 CO -0.17 0.17 0.33 0.12 0.21 0.00 0.00 175.17 175.83 3kvz s PHE 15 N -0.92 -0.62 -0.25 4.23 5.36 0.10 -4.95 117.98 120.93 3kvz s PHE 15 Ca 0.10 1.06 -0.29 0.00 -0.96 0.00 0.00 56.93 56.83 3kvz s PHE 15 Cb -0.10 0.06 -0.01 0.00 -0.34 0.00 0.00 43.02 42.64 3kvz s PHE 15 CO 0.03 -0.50 1.32 0.08 -1.46 0.00 0.00 175.22 174.70 3kvz s VAL 16 N 2.50 4.14 -0.13 3.12 1.01 -1.26 0.86 120.40 130.64 3kvz s VAL 16 Ca 0.03 1.32 -0.29 0.00 0.00 0.00 0.00 61.98 63.04 3kvz s VAL 16 Cb -0.13 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 3kvz s VAL 16 CO -0.12 -0.35 1.78 -0.69 0.00 0.00 0.00 175.10 175.72 3kvz s VAL 17 N 4.17 3.45 0.37 2.92 1.01 -0.72 -4.92 120.40 126.67 3kvz s VAL 17 Ca 0.57 0.52 0.02 0.00 0.00 0.00 0.00 61.98 63.09 3kvz s VAL 17 Cb -0.19 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 3kvz s VAL 17 CO 0.21 -0.14 0.56 -2.16 0.00 0.00 0.00 175.10 173.57 3kvz s PRO 18 N 4.72 3.26 0.49 2.72 0.04 -1.26 -0.71 135.00 144.26 3kvz s PRO 18 Ca 0.79 -0.55 0.27 0.00 0.04 0.00 0.00 61.00 61.55 3kvz s PRO 18 Cb -0.31 -2.67 1.35 0.00 0.04 0.00 0.00 34.50 32.90 3kvz s PRO 18 CO 0.32 0.01 1.86 -1.35 0.04 0.00 0.00 177.00 177.88 3kvz h PRO 19 N 0.69 0.14 -0.68 0.56 0.11 -1.96 -1.52 132.00 129.34 3kvz h PRO 19 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3kvz h PRO 19 Cb 1.24 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3kvz h PRO 19 CO 0.58 0.09 0.00 -2.39 -0.21 0.00 0.00 178.00 176.07 3kvz n HIS 20 N -4.36 0.46 -0.26 0.65 1.44 -1.26 -3.56 115.22 108.33 3kvz n HIS 20 Ca 0.20 -0.17 0.05 0.00 -2.01 0.00 0.00 57.72 55.79 3kvz n HIS 20 Cb 0.91 -0.15 0.13 0.00 0.12 0.00 0.00 29.99 31.00 3kvz n HIS 20 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3kvz n LYS 21 N 0.14 2.86 -1.96 -1.40 4.76 -0.57 -4.77 118.16 117.22 3kvz n LYS 21 Ca 0.07 -2.04 -0.29 0.00 -2.87 0.00 0.00 58.31 53.17 3kvz n LYS 21 Cb 0.40 -1.29 0.05 0.00 -1.84 0.00 0.00 35.03 32.35 3kvz n LYS 21 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3kvz s THR 22 N -1.27 3.20 0.25 -0.18 -4.23 -1.23 -2.70 115.64 109.48 3kvz s THR 22 Ca 0.21 0.32 -0.05 0.00 -1.18 0.00 0.00 61.69 60.99 3kvz s THR 22 Cb 0.13 -3.37 0.26 0.00 1.34 0.00 0.00 72.50 70.85 3kvz s THR 22 CO 0.11 -0.48 1.66 0.58 -0.54 0.00 0.00 174.62 175.96 3kvz h VAL 23 N -0.67 0.42 0.00 2.29 2.07 -1.71 -0.52 116.25 118.13 3kvz h VAL 23 Ca -0.45 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3kvz h VAL 23 Cb 1.27 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 3kvz h VAL 23 CO 0.64 0.04 0.00 0.08 0.02 0.00 0.00 177.57 178.34 3kvz h ARG 24 N 0.19 0.00 0.00 1.57 0.11 -1.87 -1.72 114.38 112.66 3kvz h ARG 24 Ca 0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.51 3kvz h ARG 24 Cb 0.78 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.86 3kvz h ARG 24 CO -0.59 0.00 -0.34 0.72 0.10 0.00 0.00 179.97 179.87 3kvz n HIS 25 N -3.06 0.66 -0.04 4.08 8.25 -0.21 -2.69 115.22 122.22 3kvz n HIS 25 Ca -0.00 0.19 -0.14 0.00 -0.26 0.00 0.00 57.72 57.51 3kvz n HIS 25 Cb 0.24 -0.75 -0.08 0.00 1.12 0.00 0.00 29.99 30.51 3kvz n HIS 25 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3kvz h LEU 26 N 0.00 0.41 -7.00 2.41 5.85 -1.24 -3.36 115.31 112.39 3kvz h LEU 26 Ca 0.00 -0.57 -0.61 0.00 0.84 0.00 0.00 57.88 57.53 3kvz h LEU 26 Cb 0.72 -0.12 -0.40 0.00 0.37 0.00 0.00 40.66 41.23 3kvz h LEU 26 CO 0.00 0.91 -0.73 -0.31 -0.34 0.00 0.00 178.44 177.97 3kvz s TYR 27 N -3.93 2.19 0.55 1.25 2.02 -1.24 -4.97 117.35 113.22 3kvz s TYR 27 Ca -0.14 -2.58 0.23 0.00 -0.37 0.00 0.00 57.07 54.21 3kvz s TYR 27 Cb 0.04 -2.00 1.47 0.00 -0.40 0.00 0.00 41.96 41.07 3kvz s TYR 27 CO 0.77 -0.76 2.11 -1.00 -1.57 0.00 0.00 175.55 175.10 3kvz h PRO 28 N 6.52 0.00 0.00 -1.71 0.13 -1.66 -1.24 132.00 134.04 3kvz h PRO 28 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 3kvz h PRO 28 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 3kvz h PRO 28 CO 0.52 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.44 3kvz n GLU 29 N -4.23 0.88 -2.98 0.86 0.00 -1.26 -4.75 120.64 109.16 3kvz n GLU 29 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 56.74 3kvz n GLU 29 Cb 0.28 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.17 3kvz n GLU 29 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3kvz s SER 30 N -2.11 6.29 0.29 -1.84 0.15 -0.47 -4.91 113.70 111.10 3kvz s SER 30 Ca 0.44 -0.59 0.01 0.00 0.70 0.00 0.00 55.95 56.51 3kvz s SER 30 Cb 0.21 -2.37 0.44 0.00 -1.71 0.00 0.00 66.02 62.59 3kvz s SER 30 CO 0.38 -1.08 1.80 -0.65 1.20 0.00 0.00 173.24 174.90 3kvz h PRO 31 N 9.17 0.68 -0.49 5.44 0.11 -1.87 -1.99 132.00 143.04 3kvz h PRO 31 Ca -0.27 -0.17 0.08 0.00 0.11 0.00 0.00 66.00 65.75 3kvz h PRO 31 Cb 1.08 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 3kvz h PRO 31 CO 1.03 0.70 0.33 0.93 -0.21 0.00 0.00 178.00 180.78 3kvz h GLU 32 N 0.64 0.33 0.00 1.05 3.07 -1.96 -1.86 114.58 115.84 3kvz h GLU 32 Ca 0.13 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 3kvz h GLU 32 Cb 0.41 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 3kvz h GLU 32 CO 0.02 0.22 -0.47 1.19 -1.40 0.00 0.00 179.01 178.56 3kvz n PHE 33 N -4.47 0.33 0.31 4.33 0.99 -0.80 -4.35 117.46 113.80 3kvz n PHE 33 Ca 0.07 0.10 0.16 0.00 -0.00 0.00 0.00 57.45 57.78 3kvz n PHE 33 Cb 0.31 -0.52 0.69 0.00 -1.00 0.00 0.00 39.48 38.97 3kvz n PHE 33 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3kvz h ALA 34 N 2.73 1.00 -0.22 4.37 0.00 -0.74 -1.89 119.26 124.52 3kvz h ALA 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kvz h ALA 34 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3kvz h ALA 34 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.64 3kvz n GLU 35 N -2.74 2.61 -1.09 0.00 1.02 -1.26 -4.96 120.64 114.22 3kvz n GLU 35 Ca 0.00 -1.79 -0.34 0.00 -0.02 0.00 0.00 57.16 55.01 3kvz n GLU 35 Cb 0.22 -1.18 0.11 0.00 -0.02 0.00 0.00 31.44 30.57 3kvz n GLU 35 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3kvz n PHE 36 N 0.24 0.06 -0.73 -0.32 0.99 -0.71 -4.96 117.46 112.03 3kvz n PHE 36 Ca 0.08 0.35 -0.32 0.00 -0.00 0.00 0.00 57.45 57.56 3kvz n PHE 36 Cb 0.35 -1.98 0.15 0.00 -1.00 0.00 0.00 39.48 37.00 3kvz n PHE 36 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 3kvz n PRO 37 N -2.16 -0.38 -2.56 -1.08 -0.04 -1.26 -4.85 135.00 122.66 3kvz n PRO 37 Ca 0.11 -0.06 -0.43 0.00 -0.04 0.00 0.00 63.50 63.08 3kvz n PRO 37 Cb 0.51 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 3kvz n PRO 37 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3kvz n GLU 38 N -3.02 3.35 -4.21 0.54 -0.58 -1.26 -4.55 120.64 110.91 3kvz n GLU 38 Ca 0.09 -3.50 -0.13 0.00 -0.42 0.00 0.00 57.16 53.21 3kvz n GLU 38 Cb 0.53 -3.13 -0.10 0.00 -0.57 0.00 0.00 31.44 28.17 3kvz n GLU 38 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 3kvz s VAL 39 N 1.95 0.91 0.02 2.62 -7.23 -1.26 -4.35 120.40 113.06 3kvz s VAL 39 Ca 0.45 -2.00 -0.32 0.00 -1.81 0.00 0.00 61.98 58.30 3kvz s VAL 39 Cb 0.04 -1.81 -0.10 0.00 0.56 0.00 0.00 36.38 35.07 3kvz s VAL 39 CO 0.01 -0.77 1.91 0.33 -0.31 0.00 0.00 175.10 176.27 3kvz n PHE 40 N -0.14 2.48 -2.63 2.82 -0.00 0.36 -2.39 117.46 117.97 3kvz n PHE 40 Ca -0.11 -0.21 -0.36 0.00 -0.00 0.00 0.00 57.45 56.77 3kvz n PHE 40 Cb 0.61 -2.75 -0.05 0.00 -0.00 0.00 0.00 39.48 37.29 3kvz n PHE 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3kvz s ALA 41 N 3.90 3.11 0.21 3.13 0.00 -1.10 -4.75 121.76 126.27 3kvz s ALA 41 Ca 0.88 0.63 -0.09 0.00 0.00 0.00 0.00 51.96 53.38 3kvz s ALA 41 Cb -0.52 -3.24 0.16 0.00 0.00 0.00 0.00 23.12 19.52 3kvz s ALA 41 CO 0.44 -0.08 1.82 1.15 0.00 0.00 0.00 175.76 179.09 3kvz h THR 42 N 2.27 1.24 -0.51 0.00 2.02 -1.93 0.67 112.91 116.67 3kvz h THR 42 Ca -0.48 -0.62 0.08 0.00 0.77 0.00 0.00 66.41 66.16 3kvz h THR 42 Cb 1.21 0.21 -0.07 0.00 -1.74 0.00 0.00 68.15 67.76 3kvz h THR 42 CO 0.63 0.27 0.12 1.23 0.37 0.00 0.00 175.52 178.15 3kvz h GLY 43 N 1.10 0.64 1.07 2.16 0.00 -1.98 0.65 103.07 106.71 3kvz h GLY 43 Ca 0.27 -0.04 -0.08 0.00 0.00 0.00 0.00 47.33 47.48 3kvz h GLY 43 CO -0.04 -0.05 0.13 0.74 0.00 0.00 0.00 176.54 177.31 3kvz h PHE 44 N 0.27 1.18 -0.20 5.60 0.04 -1.66 -1.65 116.94 120.52 3kvz h PHE 44 Ca 0.25 -0.16 -0.00 0.00 2.80 0.00 0.00 57.97 60.87 3kvz h PHE 44 Cb 0.33 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 3kvz h PHE 44 CO -0.21 0.98 0.12 1.98 -0.60 0.00 0.00 178.31 180.58 3kvz h MET 45 N 1.04 0.28 -0.24 1.51 4.05 0.21 -0.81 114.93 120.97 3kvz h MET 45 Ca 0.21 -0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.66 3kvz h MET 45 Cb 0.43 -0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 31.12 3kvz h MET 45 CO 0.01 0.22 -0.09 0.28 0.23 0.00 0.00 176.91 177.56 3kvz h VAL 46 N 0.25 0.69 -0.72 -5.77 2.07 0.42 -1.11 116.25 112.08 3kvz h VAL 46 Ca 0.07 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.75 3kvz h VAL 46 Cb 0.02 0.69 -0.11 0.00 -1.52 0.00 0.00 31.29 30.37 3kvz h VAL 46 CO -0.01 0.00 0.18 1.23 0.02 0.00 0.00 177.57 178.98 3kvz h GLY 47 N -0.05 0.99 2.00 2.17 0.00 -1.14 -1.54 103.07 105.50 3kvz h GLY 47 Ca 0.12 -0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 3kvz h GLY 47 CO -0.27 -0.18 -0.26 -2.00 0.00 0.00 0.00 176.54 173.83 3kvz h LEU 48 N 0.28 0.00 -0.11 3.11 5.85 -0.04 0.56 115.31 124.95 3kvz h LEU 48 Ca 0.40 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.94 3kvz h LEU 48 Cb 0.67 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.71 3kvz h LEU 48 CO -0.49 0.26 -0.64 0.24 -0.34 0.00 0.00 178.44 177.46 3kvz h MET 49 N 0.00 0.62 -0.46 1.25 2.86 -0.52 -2.34 114.93 116.33 3kvz h MET 49 Ca -0.00 -0.53 -0.07 0.00 -2.06 0.00 0.00 59.70 57.04 3kvz h MET 49 Cb 0.49 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 3kvz h MET 49 CO 0.03 1.15 0.03 0.93 1.06 0.00 0.00 176.91 180.10 3kvz h GLU 50 N 0.26 0.79 -0.83 1.72 5.08 -1.07 -2.71 114.58 117.83 3kvz h GLU 50 Ca -0.05 -0.24 0.17 0.00 -1.00 0.00 0.00 59.36 58.24 3kvz h GLU 50 Cb 1.29 -0.08 -0.11 0.00 0.50 0.00 0.00 28.75 30.35 3kvz h GLU 50 CO 0.13 0.84 0.37 2.35 -1.00 0.00 0.00 179.01 181.69 3kvz h TRP 51 N 0.65 0.62 -0.29 4.33 2.91 -0.90 0.27 115.95 123.54 3kvz h TRP 51 Ca 0.13 0.04 0.02 0.00 1.13 0.00 0.00 58.89 60.21 3kvz h TRP 51 Cb 0.46 -0.15 -0.03 0.00 -0.51 0.00 0.00 29.16 28.94 3kvz h TRP 51 CO 0.03 0.05 0.13 0.00 -1.03 0.00 0.00 178.44 177.62 3kvz h ALA 52 N 1.62 0.34 -0.46 2.65 0.00 -1.12 -0.85 119.26 121.44 3kvz h ALA 52 Ca 0.48 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.28 3kvz h ALA 52 Cb 0.80 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3kvz h ALA 52 CO -0.45 -0.26 -0.22 0.00 0.00 0.00 0.00 179.25 178.32 3kvz h VAL 54 N 0.81 1.24 -0.70 0.00 2.07 -0.36 -1.48 116.25 117.83 3kvz h VAL 54 Ca 0.10 -0.68 -0.07 0.00 0.82 0.00 0.00 66.70 66.87 3kvz h VAL 54 Cb 0.80 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 3kvz h VAL 54 CO 0.07 0.29 0.17 0.03 0.02 0.00 0.00 177.57 178.15 3kvz h ARG 55 N 1.07 1.12 -0.77 1.57 3.08 -1.01 -0.90 114.38 118.55 3kvz h ARG 55 Ca 0.26 -0.27 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3kvz h ARG 55 Cb 0.12 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 3kvz h ARG 55 CO -0.03 0.98 0.37 0.00 -1.07 0.00 0.00 179.97 180.22 3kvz h ALA 56 N 1.12 1.21 0.07 0.04 0.00 -1.07 -3.28 119.26 117.35 3kvz h ALA 56 Ca 0.22 -0.15 -0.28 0.00 0.00 0.00 0.00 54.91 54.71 3kvz h ALA 56 Cb 0.37 -0.31 0.02 0.00 0.00 0.00 0.00 17.79 17.87 3kvz h ALA 56 CO 0.00 0.61 -1.14 0.52 0.00 0.00 0.00 179.25 179.24 3kvz h MET 57 N 1.09 0.56 -0.90 0.00 2.86 -1.02 -3.38 114.93 114.14 3kvz h MET 57 Ca 0.26 -0.70 0.21 0.00 -2.06 0.00 0.00 59.70 57.42 3kvz h MET 57 Cb 0.11 0.22 -0.17 0.00 0.06 0.00 0.00 31.60 31.82 3kvz h MET 57 CO -0.03 1.30 -0.11 0.00 1.06 0.00 0.00 176.91 179.13 3kvz n ALA 58 N -2.63 0.33 0.13 6.32 0.00 -0.36 0.74 120.51 125.04 3kvz n ALA 58 Ca -0.11 0.98 0.06 0.00 0.00 0.00 0.00 53.44 54.36 3kvz n ALA 58 Cb 0.94 -0.65 0.29 0.00 0.00 0.00 0.00 19.45 20.03 3kvz n ALA 58 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3kvz n PRO 59 N -5.39 0.07 0.00 0.00 -0.02 -1.26 -2.48 135.00 125.92 3kvz n PRO 59 Ca 0.18 0.53 0.07 0.00 -2.02 0.00 0.00 63.50 62.25 3kvz n PRO 59 Cb 0.57 -1.70 0.03 0.00 -0.02 0.00 0.00 33.50 32.37 3kvz n PRO 59 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3kvz n TYR 60 N -1.84 0.00 -2.89 6.00 4.01 0.23 -4.98 117.16 117.68 3kvz n TYR 60 Ca -0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.40 3kvz n TYR 60 Cb 0.04 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.01 3kvz n TYR 60 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3kvz s LEU 61 N -1.44 4.06 0.56 7.72 1.43 -1.03 -5.05 118.68 124.93 3kvz s LEU 61 Ca 0.13 1.62 -0.15 0.00 -1.03 0.00 0.00 54.13 54.70 3kvz s LEU 61 Cb 0.11 -4.29 -0.06 0.00 0.03 0.00 0.00 46.19 41.98 3kvz s LEU 61 CO 0.24 -0.25 1.01 -1.61 0.23 0.00 0.00 176.35 175.97 3kvz s GLU 62 N -2.86 3.68 0.27 1.70 0.41 -1.26 -4.98 118.70 115.66 3kvz s GLU 62 Ca 0.57 0.98 -0.30 0.00 -0.41 0.00 0.00 54.97 55.81 3kvz s GLU 62 Cb -0.11 -2.09 -0.11 0.00 -1.78 0.00 0.00 34.13 30.04 3kvz s GLU 62 CO 0.16 -0.50 1.50 -2.14 -0.49 0.00 0.00 175.26 173.79 3kvz s PRO 63 N -4.32 4.21 0.00 0.39 0.02 -1.26 -1.36 135.00 132.68 3kvz s PRO 63 Ca 0.59 2.42 0.00 0.00 0.02 0.00 0.00 61.00 64.03 3kvz s PRO 63 Cb -0.12 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.33 3kvz s PRO 63 CO 0.38 -0.51 0.00 0.41 -0.33 0.00 0.00 177.00 176.95 3kvz n GLY 64 N 2.14 3.24 3.82 0.52 0.00 -1.26 -5.06 105.19 108.59 3kvz n GLY 64 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 3kvz n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kvz s GLU 65 N -0.54 4.23 0.00 1.61 2.02 -0.46 -0.48 118.70 125.08 3kvz s GLU 65 Ca 0.00 0.87 0.00 0.00 0.02 0.00 0.00 54.97 55.86 3kvz s GLU 65 Cb 0.00 -2.77 0.00 0.00 0.10 0.00 0.00 34.13 31.46 3kvz s GLU 65 CO 0.00 0.33 0.00 0.41 0.02 0.00 0.00 175.26 176.02 3kvz n GLY 66 N 0.47 5.00 3.09 -1.39 0.00 -0.01 -4.79 105.19 107.56 3kvz n GLY 66 Ca -0.01 -1.77 -0.09 0.00 0.00 0.00 0.00 46.02 44.16 3kvz n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kvz s SER 67 N -0.14 0.28 0.05 1.61 1.04 -1.26 -0.57 113.70 114.71 3kvz s SER 67 Ca 0.00 -0.67 0.06 0.00 0.48 0.00 0.00 55.95 55.82 3kvz s SER 67 Cb 0.00 0.20 -0.02 0.00 0.10 0.00 0.00 66.02 66.30 3kvz s SER 67 CO 0.00 -0.51 -0.17 -0.76 0.98 0.00 0.00 173.24 172.78 3kvz s LEU 68 N -2.28 2.19 0.16 2.42 1.43 -0.19 -4.94 118.68 117.48 3kvz s LEU 68 Ca -0.03 -0.51 -0.31 0.00 -1.03 0.00 0.00 54.13 52.25 3kvz s LEU 68 Cb 0.00 -0.77 -0.09 0.00 0.03 0.00 0.00 46.19 45.37 3kvz s LEU 68 CO -0.06 0.08 1.44 -0.83 0.23 0.00 0.00 176.35 177.21 3kvz s GLY 69 N -1.27 1.95 -0.00 -3.19 0.00 -1.26 -0.10 107.32 103.45 3kvz s GLY 69 Ca 0.04 1.22 0.07 0.00 0.00 0.00 0.00 44.72 46.06 3kvz s GLY 69 CO 0.02 2.39 0.29 -1.30 0.00 0.00 0.00 173.10 174.50 3kvz n THR 70 N 3.60 0.00 -3.61 0.90 -2.24 0.10 -4.90 114.28 108.14 3kvz n THR 70 Ca 0.11 -0.29 -0.12 0.00 -2.27 0.00 0.00 64.05 61.48 3kvz n THR 70 Cb 0.41 0.86 -0.07 0.00 -2.10 0.00 0.00 70.33 69.43 3kvz n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kvz s ALA 71 N -1.88 -1.89 -0.02 6.98 0.00 -1.17 -4.96 121.76 118.83 3kvz s ALA 71 Ca 0.02 1.78 0.01 0.00 0.00 0.00 0.00 51.96 53.77 3kvz s ALA 71 Cb 0.05 -1.03 0.01 0.00 0.00 0.00 0.00 23.12 22.16 3kvz s ALA 71 CO 0.31 -0.30 -0.02 -1.50 0.00 0.00 0.00 175.76 174.25 3kvz s ILE 72 N -0.18 0.29 -0.33 0.00 1.10 -1.26 -1.95 121.20 118.87 3kvz s ILE 72 Ca -0.01 -0.05 -0.01 0.00 -0.51 0.00 0.00 60.65 60.07 3kvz s ILE 72 Cb -0.03 -0.32 0.13 0.00 0.15 0.00 0.00 42.46 42.38 3kvz s ILE 72 CO -0.01 0.14 0.18 0.00 -2.11 0.00 0.00 174.94 173.14 3kvz s VAL 74 N 1.44 0.21 0.34 0.00 -7.23 -1.26 -1.56 120.40 112.34 3kvz s VAL 74 Ca 0.15 -1.70 0.07 0.00 -1.81 0.00 0.00 61.98 58.69 3kvz s VAL 74 Cb -0.20 -1.40 -0.02 0.00 0.56 0.00 0.00 36.38 35.32 3kvz s VAL 74 CO -0.13 -0.94 0.37 0.42 -0.31 0.00 0.00 175.10 174.51 3kvz s THR 75 N -3.69 3.69 -0.33 5.32 -4.23 -0.86 -4.96 115.64 110.58 3kvz s THR 75 Ca 0.05 -1.22 0.02 0.00 -1.18 0.00 0.00 61.69 59.36 3kvz s THR 75 Cb 0.06 -3.26 0.15 0.00 1.34 0.00 0.00 72.50 70.79 3kvz s THR 75 CO -0.09 -0.16 0.37 -2.28 -0.54 0.00 0.00 174.62 171.93 3kvz s HIS 76 N -2.26 -0.56 -0.45 3.99 2.46 -1.26 -2.94 115.29 114.27 3kvz s HIS 76 Ca 0.43 -0.36 0.07 0.00 0.47 0.00 0.00 55.06 55.67 3kvz s HIS 76 Cb -0.07 -0.33 -0.04 0.00 -0.13 0.00 0.00 32.58 32.01 3kvz s HIS 76 CO 0.28 -0.97 0.38 0.25 -2.47 0.00 0.00 174.74 172.22 3kvz n THR 77 N 4.77 0.00 -4.15 0.89 -2.24 0.12 -4.96 114.28 108.72 3kvz n THR 77 Ca 0.05 -0.39 -0.16 0.00 -2.27 0.00 0.00 64.05 61.29 3kvz n THR 77 Cb 0.47 1.04 -0.12 0.00 -2.10 0.00 0.00 70.33 69.62 3kvz n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kvz s ALA 78 N -1.36 0.83 0.13 6.98 0.00 -1.17 -5.03 121.76 122.14 3kvz s ALA 78 Ca 0.04 -0.79 -0.06 0.00 0.00 0.00 0.00 51.96 51.15 3kvz s ALA 78 Cb 0.05 -0.05 -0.06 0.00 0.00 0.00 0.00 23.12 23.07 3kvz s ALA 78 CO 0.22 0.08 0.39 0.00 0.00 0.00 0.00 175.76 176.45 3kvz s ALA 79 N -1.15 3.76 -0.21 0.00 0.00 -1.26 -4.79 121.76 118.11 3kvz s ALA 79 Ca -0.05 -0.51 -0.02 0.00 0.00 0.00 0.00 51.96 51.38 3kvz s ALA 79 Cb -0.09 -2.17 0.07 0.00 0.00 0.00 0.00 23.12 20.92 3kvz s ALA 79 CO 0.01 0.64 0.04 0.99 0.00 0.00 0.00 175.76 177.44 3kvz s THR 80 N -1.62 0.60 0.72 0.00 2.01 -1.26 -5.01 115.64 111.08 3kvz s THR 80 Ca 0.40 -0.69 -0.11 0.00 0.31 0.00 0.00 61.69 61.59 3kvz s THR 80 Cb -0.12 -1.14 0.02 0.00 0.01 0.00 0.00 72.50 71.27 3kvz s THR 80 CO 0.23 -0.27 1.09 -2.16 -0.69 0.00 0.00 174.62 172.82 3kvz s PRO 81 N 1.81 2.71 0.61 4.92 0.04 -1.26 -0.48 135.00 143.35 3kvz s PRO 81 Ca 0.00 0.57 -0.19 0.00 0.04 0.00 0.00 61.00 61.42 3kvz s PRO 81 Cb -0.17 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 3kvz s PRO 81 CO -0.11 -1.16 1.28 -2.14 0.04 0.00 0.00 177.00 174.92 3kvz s PRO 82 N -5.27 2.81 0.00 0.56 0.02 -1.26 -3.56 135.00 128.31 3kvz s PRO 82 Ca 0.59 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.64 3kvz s PRO 82 Cb -0.12 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.43 3kvz s PRO 82 CO 0.53 -1.39 0.00 0.41 -0.33 0.00 0.00 177.00 176.22 3kvz n GLY 83 N 0.75 3.09 3.78 0.52 0.00 0.11 -5.02 105.19 108.42 3kvz n GLY 83 Ca 0.14 -1.00 -0.37 0.00 0.00 0.00 0.00 46.02 44.79 3kvz n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kvz s LEU 84 N 0.00 4.04 -0.23 0.99 1.02 -1.23 -4.65 118.68 118.62 3kvz s LEU 84 Ca 0.00 2.20 -0.21 0.00 0.02 0.00 0.00 54.13 56.14 3kvz s LEU 84 Cb 0.00 -4.24 -0.02 0.00 0.02 0.00 0.00 46.19 41.95 3kvz s LEU 84 CO 0.00 -0.78 0.67 -0.89 0.02 0.00 0.00 176.35 175.37 3kvz s THR 85 N -1.60 4.96 -0.18 5.49 2.01 -1.26 -1.76 115.64 123.30 3kvz s THR 85 Ca 0.62 1.24 -0.19 0.00 0.31 0.00 0.00 61.69 63.67 3kvz s THR 85 Cb -0.26 -3.98 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 3kvz s THR 85 CO 0.32 0.03 0.55 -0.69 -0.69 0.00 0.00 174.62 174.14 3kvz s VAL 86 N 2.38 5.09 -0.22 3.82 1.01 0.25 -3.81 120.40 128.92 3kvz s VAL 86 Ca 0.29 1.04 -0.07 0.00 0.00 0.00 0.00 61.98 63.24 3kvz s VAL 86 Cb -0.16 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 3kvz s VAL 86 CO 0.09 0.18 0.06 -0.89 0.00 0.00 0.00 175.10 174.54 3kvz s THR 87 N 1.53 4.45 -0.11 3.92 2.01 -0.13 0.01 115.64 127.32 3kvz s THR 87 Ca 0.26 -0.14 0.03 0.00 0.31 0.00 0.00 61.69 62.15 3kvz s THR 87 Cb -0.16 -3.04 -0.01 0.00 0.01 0.00 0.00 72.50 69.31 3kvz s THR 87 CO 0.10 0.39 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.53 3kvz s VAL 88 N 1.07 2.40 -0.11 3.82 1.01 0.52 -1.53 120.40 127.58 3kvz s VAL 88 Ca 0.04 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.12 3kvz s VAL 88 Cb -0.14 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 3kvz s VAL 88 CO 0.03 0.55 -0.09 -0.89 0.00 0.00 0.00 175.10 174.70 3kvz s THR 89 N 0.35 3.50 -0.18 3.92 2.01 0.25 -2.36 115.64 123.13 3kvz s THR 89 Ca -0.16 -0.52 0.00 0.00 0.31 0.00 0.00 61.69 61.32 3kvz s THR 89 Cb -0.17 -2.47 0.04 0.00 0.01 0.00 0.00 72.50 69.91 3kvz s THR 89 CO 0.08 0.55 -0.07 0.00 -0.69 0.00 0.00 174.62 174.48 3kvz s ALA 90 N -0.13 1.71 -0.13 7.40 0.00 -0.05 -1.45 121.76 129.11 3kvz s ALA 90 Ca 0.01 -1.01 -0.01 0.00 0.00 0.00 0.00 51.96 50.95 3kvz s ALA 90 Cb -0.13 -1.20 -0.02 0.00 0.00 0.00 0.00 23.12 21.77 3kvz s ALA 90 CO 0.03 -0.81 -0.10 -2.00 0.00 0.00 0.00 175.76 172.88 3kvz s GLU 91 N 1.53 3.39 -0.00 0.00 2.12 -0.43 -1.18 118.70 124.13 3kvz s GLU 91 Ca -0.00 -0.63 -0.30 0.00 0.36 0.00 0.00 54.97 54.40 3kvz s GLU 91 Cb -0.16 -2.70 -0.05 0.00 0.26 0.00 0.00 34.13 31.48 3kvz s GLU 91 CO -0.08 0.27 1.30 -1.17 -0.54 0.00 0.00 175.26 175.04 3kvz s LEU 92 N 0.22 4.32 -0.20 2.70 2.96 -1.02 -0.41 118.68 127.26 3kvz s LEU 92 Ca -0.06 2.01 -0.02 0.00 -0.22 0.00 0.00 54.13 55.84 3kvz s LEU 92 Cb -0.15 -3.56 -0.12 0.00 0.50 0.00 0.00 46.19 42.86 3kvz s LEU 92 CO 0.04 -0.63 -0.20 0.54 -1.32 0.00 0.00 176.35 174.79 3kvz n ARG 93 N 4.98 0.47 -3.84 1.98 1.74 0.01 -0.64 116.66 121.37 3kvz n ARG 93 Ca 0.12 0.13 -0.12 0.00 -0.77 0.00 0.00 57.85 57.21 3kvz n ARG 93 Cb 0.45 -1.34 -0.10 0.00 -1.02 0.00 0.00 32.46 30.44 3kvz n ARG 93 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3kvz s SER 94 N -6.14 -0.06 -0.11 0.55 0.01 -1.14 -4.83 113.70 101.98 3kvz s SER 94 Ca -0.27 -0.02 -0.02 0.00 1.31 0.00 0.00 55.95 56.95 3kvz s SER 94 Cb 0.08 0.27 0.04 0.00 0.21 0.00 0.00 66.02 66.62 3kvz s SER 94 CO 0.42 -0.32 0.02 -0.69 0.41 0.00 0.00 173.24 173.09 3kvz s VAL 95 N -1.04 0.36 -0.34 3.43 1.01 -1.26 -1.62 120.40 120.94 3kvz s VAL 95 Ca -0.11 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.78 3kvz s VAL 95 Cb -0.06 -0.67 0.11 0.00 0.00 0.00 0.00 36.38 35.76 3kvz s VAL 95 CO 0.02 0.07 0.13 -1.61 0.00 0.00 0.00 175.10 173.71 3kvz s GLU 96 N 1.96 0.93 5.58 2.72 2.02 0.33 -5.01 118.70 127.22 3kvz s GLU 96 Ca 0.03 -1.38 0.00 0.00 0.02 0.00 0.00 54.97 53.64 3kvz s GLU 96 Cb -0.14 -2.20 0.00 0.00 0.10 0.00 0.00 34.13 31.89 3kvz s GLU 96 CO -0.06 -1.02 0.00 0.41 0.02 0.00 0.00 175.26 174.60 3kvz n GLY 97 N 4.47 1.21 0.07 -1.39 0.00 -1.26 -2.12 105.19 106.17 3kvz n GLY 97 Ca 0.01 0.33 0.10 0.00 0.00 0.00 0.00 46.02 46.47 3kvz n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kvz n ARG 98 N 0.00 0.17 -3.75 1.61 1.74 -1.26 -4.90 116.66 110.27 3kvz n ARG 98 Ca 0.00 -0.13 -0.36 0.00 -0.77 0.00 0.00 57.85 56.58 3kvz n ARG 98 Cb 0.00 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 29.87 3kvz n ARG 98 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3kvz s ARG 99 N -2.93 3.89 0.03 5.56 3.52 -0.90 0.26 118.95 128.39 3kvz s ARG 99 Ca 0.10 -0.10 0.05 0.00 -0.13 0.00 0.00 55.73 55.65 3kvz s ARG 99 Cb 0.16 -3.32 -0.02 0.00 -1.56 0.00 0.00 34.95 30.22 3kvz s ARG 99 CO 0.81 0.50 -0.15 -0.51 -0.81 0.00 0.00 175.30 175.15 3kvz s LEU 100 N -0.26 2.15 0.07 -0.88 1.02 -0.84 -0.52 118.68 119.42 3kvz s LEU 100 Ca 0.13 -0.43 0.09 0.00 0.02 0.00 0.00 54.13 53.94 3kvz s LEU 100 Cb -0.12 -0.65 -0.03 0.00 0.02 0.00 0.00 46.19 45.41 3kvz s LEU 100 CO 0.02 0.06 -0.25 -0.44 0.02 0.00 0.00 176.35 175.77 3kvz s SER 101 N -1.03 3.37 -0.02 2.29 0.01 -0.64 -0.45 113.70 117.24 3kvz s SER 101 Ca 0.03 -0.60 0.01 0.00 1.31 0.00 0.00 55.95 56.69 3kvz s SER 101 Cb -0.08 -0.34 0.01 0.00 0.21 0.00 0.00 66.02 65.82 3kvz s SER 101 CO 0.01 0.23 -0.04 0.26 0.41 0.00 0.00 173.24 174.11 3kvz s TRP 102 N -0.92 0.50 -0.03 2.43 0.52 0.69 -0.81 118.94 121.32 3kvz s TRP 102 Ca 0.13 -0.10 -0.25 0.00 0.02 0.00 0.00 56.10 55.91 3kvz s TRP 102 Cb -0.10 -0.39 -0.04 0.00 -1.15 0.00 0.00 33.47 31.78 3kvz s TRP 102 CO 0.04 -0.07 0.75 0.50 0.02 0.00 0.00 176.95 178.20 3kvz s ARG 103 N 0.29 4.46 0.02 4.98 3.52 0.46 -1.05 118.95 131.63 3kvz s ARG 103 Ca -0.03 0.99 0.07 0.00 -0.13 0.00 0.00 55.73 56.62 3kvz s ARG 103 Cb -0.07 -3.43 -0.02 0.00 -1.56 0.00 0.00 34.95 29.87 3kvz s ARG 103 CO -0.00 0.10 -0.20 0.14 -0.81 0.00 0.00 175.30 174.53 3kvz s VAL 104 N 0.63 1.60 -0.01 7.11 -7.23 0.76 -1.31 120.40 121.94 3kvz s VAL 104 Ca 0.40 -1.06 -0.14 0.00 -1.81 0.00 0.00 61.98 59.36 3kvz s VAL 104 Cb -0.19 -1.37 0.02 0.00 0.56 0.00 0.00 36.38 35.40 3kvz s VAL 104 CO 0.20 0.28 0.30 -0.55 -0.31 0.00 0.00 175.10 175.02 3kvz s SER 105 N -0.91 -0.18 -0.06 4.85 0.15 -0.53 -0.53 113.70 116.49 3kvz s SER 105 Ca 0.07 0.07 -0.11 0.00 0.70 0.00 0.00 55.95 56.68 3kvz s SER 105 Cb -0.08 0.31 0.02 0.00 -1.71 0.00 0.00 66.02 64.56 3kvz s SER 105 CO 0.01 -0.44 0.27 0.00 1.20 0.00 0.00 173.24 174.28 3kvz s ALA 106 N -1.32 -0.67 -0.01 5.45 0.00 -0.72 -0.59 121.76 123.90 3kvz s ALA 106 Ca -0.14 0.53 -0.10 0.00 0.00 0.00 0.00 51.96 52.26 3kvz s ALA 106 Cb -0.05 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.85 3kvz s ALA 106 CO 0.04 -0.18 0.21 -1.58 0.00 0.00 0.00 175.76 174.25 3kvz s HIS 107 N -0.49 -0.07 -0.19 0.00 5.04 -0.58 -1.14 115.29 117.86 3kvz s HIS 107 Ca -0.06 0.09 0.16 0.00 -1.54 0.00 0.00 55.06 53.71 3kvz s HIS 107 Cb -0.04 0.02 0.55 0.00 0.04 0.00 0.00 32.58 33.15 3kvz s HIS 107 CO 0.02 -0.30 1.45 -0.40 -2.34 0.00 0.00 174.74 173.17 3kvz n ASP 108 N 1.57 4.00 0.00 9.88 5.68 -0.28 -0.95 116.55 136.45 3kvz n ASP 108 Ca -0.21 -3.04 0.00 0.00 -0.50 0.00 0.00 54.79 51.04 3kvz n ASP 108 Cb 0.56 -0.56 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3kvz n ASP 108 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kvz n GLY 109 N -0.45 2.96 0.79 6.12 0.00 -1.25 -4.17 105.19 109.19 3kvz n GLY 109 Ca 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.21 3kvz n GLY 109 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kvz n VAL 110 N -2.00 1.18 -4.27 1.61 0.31 -1.26 -5.08 118.33 108.82 3kvz n VAL 110 Ca 0.00 0.28 -0.27 0.00 -0.01 0.00 0.00 64.34 64.34 3kvz n VAL 110 Cb 0.00 -1.77 -0.09 0.00 -0.91 0.00 0.00 33.84 31.08 3kvz n VAL 110 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3kvz s ASP 111 N -5.93 4.40 -0.00 4.52 1.01 -1.26 -5.08 116.67 114.32 3kvz s ASP 111 Ca -0.08 -0.53 -0.30 0.00 0.71 0.00 0.00 52.55 52.35 3kvz s ASP 111 Cb 0.01 -0.80 -0.08 0.00 1.01 0.00 0.00 42.92 43.06 3kvz s ASP 111 CO 0.12 0.10 1.94 -0.70 0.21 0.00 0.00 175.17 176.83 3kvz s GLU 112 N -2.89 4.06 -0.14 8.23 2.56 -1.26 -1.12 118.70 128.13 3kvz s GLU 112 Ca 0.26 2.49 0.18 0.00 0.00 0.00 0.00 54.97 57.90 3kvz s GLU 112 Cb -0.09 -4.15 -0.26 0.00 2.00 0.00 0.00 34.13 31.63 3kvz s GLU 112 CO 0.16 -1.04 0.23 0.44 -0.56 0.00 0.00 175.26 174.49 3kvz n ILE 113 N 5.74 1.14 -3.61 -3.70 -5.35 -0.29 -4.21 119.36 109.08 3kvz n ILE 113 Ca 0.20 -0.78 -0.02 0.00 -0.27 0.00 0.00 62.75 61.88 3kvz n ILE 113 Cb 0.42 -0.43 -0.02 0.00 -1.74 0.00 0.00 39.64 37.87 3kvz n ILE 113 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3kvz s GLY 114 N -5.24 -0.29 0.22 3.28 0.00 -1.19 0.15 107.32 104.25 3kvz s GLY 114 Ca -0.09 1.56 -0.22 0.00 0.00 0.00 0.00 44.72 45.97 3kvz s GLY 114 CO 0.84 0.49 0.93 -1.35 0.00 0.00 0.00 173.10 174.01 3kvz s SER 115 N -2.29 -0.09 0.00 1.64 1.04 -1.15 -1.75 113.70 111.09 3kvz s SER 115 Ca 0.12 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.88 3kvz s SER 115 Cb 0.01 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.72 3kvz s SER 115 CO -0.04 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.65 3kvz n GLY 116 N -0.56 -0.24 3.18 7.32 0.00 0.31 -2.03 105.19 113.17 3kvz n GLY 116 Ca -0.05 -0.52 -0.14 0.00 0.00 0.00 0.00 46.02 45.30 3kvz n GLY 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kvz s THR 117 N -2.18 0.95 -0.07 2.61 -4.23 -0.60 -0.17 115.64 111.95 3kvz s THR 117 Ca 0.00 -1.65 -0.04 0.00 -1.18 0.00 0.00 61.69 58.81 3kvz s THR 117 Cb 0.00 -1.38 0.03 0.00 1.34 0.00 0.00 72.50 72.49 3kvz s THR 117 CO 0.00 -0.56 0.17 -2.28 -0.54 0.00 0.00 174.62 171.40 3kvz s HIS 118 N -2.46 -0.19 -0.09 3.99 5.04 -0.21 -1.05 115.29 120.32 3kvz s HIS 118 Ca 0.06 0.49 0.02 0.00 -1.54 0.00 0.00 55.06 54.10 3kvz s HIS 118 Cb -0.03 0.00 -0.02 0.00 0.04 0.00 0.00 32.58 32.58 3kvz s HIS 118 CO 0.00 -0.13 -0.16 -1.21 -2.34 0.00 0.00 174.74 170.89 3kvz s GLU 119 N 0.64 2.94 0.36 2.88 8.01 -0.82 -0.22 118.70 132.49 3kvz s GLU 119 Ca -0.05 -0.74 0.09 0.00 0.01 0.00 0.00 54.97 54.28 3kvz s GLU 119 Cb -0.06 -2.44 -0.06 0.00 -4.31 0.00 0.00 34.13 27.25 3kvz s GLU 119 CO -0.03 0.37 -0.03 1.03 0.01 0.00 0.00 175.26 176.60 3kvz s ARG 120 N -0.08 1.93 -0.09 1.61 0.52 0.41 0.01 118.95 123.26 3kvz s ARG 120 Ca -0.03 -1.92 0.03 0.00 -0.52 0.00 0.00 55.73 53.29 3kvz s ARG 120 Cb -0.14 -1.76 0.01 0.00 0.52 0.00 0.00 34.95 33.57 3kvz s ARG 120 CO 0.04 0.09 -0.19 0.00 0.02 0.00 0.00 175.30 175.26 3kvz s ALA 121 N -2.60 1.84 0.30 2.13 0.00 0.86 -1.99 121.76 122.29 3kvz s ALA 121 Ca 0.34 -0.78 -0.29 0.00 0.00 0.00 0.00 51.96 51.22 3kvz s ALA 121 Cb 0.03 -0.75 -0.10 0.00 0.00 0.00 0.00 23.12 22.30 3kvz s ALA 121 CO 0.18 0.17 1.42 0.08 0.00 0.00 0.00 175.76 177.61 3kvz s VAL 122 N 0.55 2.52 0.12 0.00 1.01 0.14 -1.02 120.40 123.72 3kvz s VAL 122 Ca -0.15 0.47 0.01 0.00 0.00 0.00 0.00 61.98 62.31 3kvz s VAL 122 Cb -0.17 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 3kvz s VAL 122 CO 0.05 0.09 -0.02 0.27 0.00 0.00 0.00 175.10 175.49 3kvz s ILE 123 N -0.52 0.52 -0.31 2.22 -4.36 0.27 -4.93 121.20 114.09 3kvz s ILE 123 Ca 0.56 -1.93 -0.20 0.00 -0.26 0.00 0.00 60.65 58.82 3kvz s ILE 123 Cb -0.43 -1.85 -0.01 0.00 1.25 0.00 0.00 42.46 41.43 3kvz s ILE 123 CO 0.50 -0.71 0.61 -2.28 0.24 0.00 0.00 174.94 173.30 3kvz s HIS 124 N -3.75 3.21 0.08 1.37 5.65 -1.26 -0.83 115.29 119.77 3kvz s HIS 124 Ca 0.17 0.54 -0.20 0.00 0.25 0.00 0.00 55.06 55.81 3kvz s HIS 124 Cb 0.06 -2.96 -0.10 0.00 -1.18 0.00 0.00 32.58 28.40 3kvz s HIS 124 CO -0.02 -0.47 1.57 -0.07 -0.65 0.00 0.00 174.74 175.10 3kvz h LEU 125 N 9.12 0.29 -0.06 8.88 3.38 -1.10 0.12 115.31 135.93 3kvz h LEU 125 Ca -0.27 -0.23 -0.14 0.00 0.09 0.00 0.00 57.88 57.33 3kvz h LEU 125 Cb 1.12 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 3kvz h LEU 125 CO 0.79 0.45 -0.65 -0.33 0.09 0.00 0.00 178.44 178.79 3kvz h GLU 126 N 0.12 0.00 0.29 1.13 4.39 -1.95 0.72 114.58 119.29 3kvz h GLU 126 Ca 0.06 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 3kvz h GLU 126 Cb 0.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 3kvz h GLU 126 CO 0.00 0.65 -0.14 0.87 -1.16 0.00 0.00 179.01 179.23 3kvz h LYS 127 N 0.00 -0.38 -0.27 2.33 1.57 -1.91 -2.30 116.57 115.61 3kvz h LYS 127 Ca -0.01 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3kvz h LYS 127 Cb 1.48 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.86 3kvz h LYS 127 CO 0.08 -0.13 0.17 0.35 -0.57 0.00 0.00 179.45 179.36 3kvz h PHE 128 N -0.60 0.32 -0.81 -1.35 3.57 -0.64 -1.26 116.94 116.16 3kvz h PHE 128 Ca -0.04 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.59 3kvz h PHE 128 Cb 0.43 -0.10 -0.08 0.00 2.79 0.00 0.00 35.95 38.99 3kvz h PHE 128 CO -0.00 0.19 0.43 -0.91 -2.23 0.00 0.00 178.31 175.79 3kvz h ASN 129 N 0.34 0.57 -0.22 0.41 2.35 0.37 -0.96 115.58 118.45 3kvz h ASN 129 Ca 0.10 0.07 -0.15 0.00 -0.55 0.00 0.00 56.30 55.77 3kvz h ASN 129 Cb -0.02 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 3kvz h ASN 129 CO -0.03 0.29 -0.41 0.00 -1.65 0.00 0.00 177.43 175.63 3kvz h ALA 130 N 1.50 0.69 -0.03 -0.83 0.00 -1.18 -1.63 119.26 117.78 3kvz h ALA 130 Ca 0.42 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3kvz h ALA 130 Cb 0.50 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3kvz h ALA 130 CO -0.30 0.67 -0.19 -0.22 0.00 0.00 0.00 179.25 179.20 3kvz h LYS 131 N 0.63 0.05 0.00 0.00 3.11 -0.48 -2.82 116.57 117.05 3kvz h LYS 131 Ca 0.05 -0.01 -0.21 0.00 -2.81 0.00 0.00 60.65 57.67 3kvz h LYS 131 Cb 0.96 -0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 32.15 3kvz h LYS 131 CO 0.09 0.24 -1.47 0.28 -2.81 0.00 0.00 179.45 175.77 3kvz h VAL 132 N 0.04 0.67 0.00 2.00 2.07 -1.16 -3.09 116.25 116.79 3kvz h VAL 132 Ca 0.01 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.22 3kvz h VAL 132 Cb 0.37 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 3kvz h VAL 132 CO 0.03 0.38 0.01 0.03 0.02 0.00 0.00 177.57 178.04 3kvz h ARG 133 N 0.00 0.00 0.00 1.57 -0.00 -1.16 -2.69 114.38 112.10 3kvz h ARG 133 Ca -0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.28 3kvz h ARG 133 Cb 1.74 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.71 3kvz h ARG 133 CO 0.06 0.00 -0.70 1.96 0.00 0.00 0.00 179.97 181.29 3kvz h GLN 134 N 0.00 0.00 -0.07 0.04 4.20 -1.41 -3.29 115.11 114.57 3kvz h GLN 134 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3kvz h GLN 134 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3kvz h GLN 134 CO 0.00 0.00 0.00 0.36 -0.67 0.00 0.00 178.83 178.52 3kvz n LYS 135 N -2.75 2.37 -2.27 1.46 2.85 -1.04 -4.96 118.16 113.82 3kvz n LYS 135 Ca 0.01 -2.09 -0.42 0.00 -1.05 0.00 0.00 58.31 54.75 3kvz n LYS 135 Cb 0.54 -1.30 -0.03 0.00 -0.65 0.00 0.00 35.03 33.59 3kvz n LYS 135 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3kvz s THR 136 N -1.86 3.90 -2.00 0.58 2.01 -1.04 -5.11 115.64 112.12 3kvz s THR 136 Ca 0.19 1.21 0.17 0.00 0.31 0.00 0.00 61.69 63.57 3kvz s THR 136 Cb 0.15 -3.78 0.48 0.00 0.01 0.00 0.00 72.50 69.36 3kvz s THR 136 CO 0.04 -0.04 1.42 -0.81 -0.69 0.00 0.00 174.62 174.54