#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 3.70 0.46 2.12 3.03 -1.26 -5.05 118.95 121.95 3kvz s ARG 6 Ca 0.00 0.01 -0.24 0.00 2.03 0.00 0.00 55.73 57.52 3kvz s ARG 6 Cb 0.00 -3.24 -0.07 0.00 -1.03 0.00 0.00 34.95 30.60 3kvz s ARG 6 CO 0.00 0.66 1.33 0.08 -1.13 0.00 0.00 175.30 176.25 3kvz s VAL 7 N -0.77 2.39 0.00 4.99 1.01 -1.26 -2.47 120.40 124.30 3kvz s VAL 7 Ca 0.16 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.47 3kvz s VAL 7 Cb -0.13 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.07 3kvz s VAL 7 CO 0.06 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.80 3kvz n GLY 8 N 0.63 2.71 3.76 4.51 0.00 0.15 -5.00 105.19 111.95 3kvz n GLY 8 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3kvz n GLY 8 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kvz n GLU 9 N -2.00 2.74 -4.54 1.61 1.02 -1.03 -4.65 120.64 113.79 3kvz n GLU 9 Ca 0.00 0.97 -0.31 0.00 -0.02 0.00 0.00 57.16 57.81 3kvz n GLU 9 Cb 0.00 -2.75 -0.12 0.00 -0.02 0.00 0.00 31.44 28.55 3kvz n GLU 9 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3kvz s ARG 10 N -0.89 2.07 -0.00 3.49 0.52 -1.26 -0.80 118.95 122.08 3kvz s ARG 10 Ca 0.61 -0.99 0.02 0.00 -0.52 0.00 0.00 55.73 54.85 3kvz s ARG 10 Cb -0.48 -2.22 -0.01 0.00 0.52 0.00 0.00 34.95 32.77 3kvz s ARG 10 CO 0.52 0.53 -0.07 0.12 0.02 0.00 0.00 175.30 176.43 3kvz s PHE 11 N -0.99 0.59 -0.04 -0.53 5.36 -0.17 -4.99 117.98 117.21 3kvz s PHE 11 Ca 0.16 -0.13 0.06 0.00 -0.96 0.00 0.00 56.93 56.06 3kvz s PHE 11 Cb -0.11 -0.38 -0.01 0.00 -0.34 0.00 0.00 43.02 42.19 3kvz s PHE 11 CO 0.07 -0.01 -0.22 0.99 -1.46 0.00 0.00 175.22 174.59 3kvz s THR 12 N -0.20 1.75 -0.12 0.12 2.01 -1.26 -0.35 115.64 117.60 3kvz s THR 12 Ca 0.02 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.12 3kvz s THR 12 Cb -0.03 -1.48 -0.01 0.00 0.01 0.00 0.00 72.50 70.99 3kvz s THR 12 CO -0.00 0.49 -0.16 -1.00 -0.69 0.00 0.00 174.62 173.27 3kvz s HIS 13 N -0.19 2.75 0.04 4.92 3.76 0.22 -5.00 115.29 121.79 3kvz s HIS 13 Ca -0.00 -0.70 0.04 0.00 -0.15 0.00 0.00 55.06 54.25 3kvz s HIS 13 Cb -0.12 -1.80 -0.04 0.00 1.11 0.00 0.00 32.58 31.74 3kvz s HIS 13 CO 0.02 -0.23 -0.04 -0.51 -0.85 0.00 0.00 174.74 173.13 3kvz s ASP 14 N 0.27 4.78 -0.26 1.40 1.01 -1.26 -0.38 116.67 122.24 3kvz s ASP 14 Ca -0.11 -0.16 -0.03 0.00 0.71 0.00 0.00 52.55 52.96 3kvz s ASP 14 Cb -0.16 -1.12 0.15 0.00 1.01 0.00 0.00 42.92 42.79 3kvz s ASP 14 CO 0.06 0.24 0.43 0.12 0.21 0.00 0.00 175.17 176.23 3kvz s PHE 15 N -1.12 -1.01 -0.03 4.23 5.36 0.82 -4.96 117.98 121.26 3kvz s PHE 15 Ca 0.20 1.07 -0.30 0.00 -0.96 0.00 0.00 56.93 56.94 3kvz s PHE 15 Cb -0.11 0.16 -0.05 0.00 -0.34 0.00 0.00 43.02 42.68 3kvz s PHE 15 CO 0.12 -0.75 1.45 0.08 -1.46 0.00 0.00 175.22 174.66 3kvz s VAL 16 N 2.62 3.71 -0.15 3.12 1.01 -1.26 -0.47 120.40 128.98 3kvz s VAL 16 Ca 0.14 1.03 -0.29 0.00 0.00 0.00 0.00 61.98 62.86 3kvz s VAL 16 Cb -0.15 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 3kvz s VAL 16 CO -0.17 -0.03 1.17 -0.69 0.00 0.00 0.00 175.10 175.38 3kvz s VAL 17 N 2.88 4.42 0.68 2.92 1.01 -0.43 -4.89 120.40 126.98 3kvz s VAL 17 Ca 0.65 1.71 -0.02 0.00 0.00 0.00 0.00 61.98 64.33 3kvz s VAL 17 Cb -0.31 -4.11 0.09 0.00 0.00 0.00 0.00 36.38 32.06 3kvz s VAL 17 CO 0.26 -0.10 0.95 -2.16 0.00 0.00 0.00 175.10 174.05 3kvz s PRO 18 N 2.96 1.95 0.43 2.72 0.04 -1.26 -0.39 135.00 141.46 3kvz s PRO 18 Ca 0.52 -0.84 0.12 0.00 0.04 0.00 0.00 61.00 60.84 3kvz s PRO 18 Cb -0.21 -2.32 0.99 0.00 0.04 0.00 0.00 34.50 33.00 3kvz s PRO 18 CO 0.15 -1.25 2.02 -1.35 0.04 0.00 0.00 177.00 176.60 3kvz h PRO 19 N -0.43 0.41 -0.28 0.56 0.11 -1.95 -2.56 132.00 127.88 3kvz h PRO 19 Ca -0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3kvz h PRO 19 Cb 1.28 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3kvz h PRO 19 CO 0.47 0.27 0.00 -2.39 -0.21 0.00 0.00 178.00 176.14 3kvz n HIS 20 N -4.47 0.32 -1.00 0.65 1.44 -1.26 -3.46 115.22 107.44 3kvz n HIS 20 Ca 0.07 -0.15 0.06 0.00 -2.01 0.00 0.00 57.72 55.69 3kvz n HIS 20 Cb 0.25 -0.02 0.31 0.00 0.12 0.00 0.00 29.99 30.65 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 0.15 3.56 -2.23 -1.40 4.76 -0.96 -4.77 118.16 117.26 3kvz n LYS 21 Ca 0.07 -2.99 -0.27 0.00 -2.87 0.00 0.00 58.31 52.26 3kvz n LYS 21 Cb 0.21 -2.01 0.13 0.00 -1.84 0.00 0.00 35.03 31.53 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 -2.85 2.10 0.13 -0.18 -4.23 -1.22 -2.34 115.64 107.04 3kvz s THR 22 Ca 0.47 -0.28 -0.19 0.00 -1.18 0.00 0.00 61.69 60.52 3kvz s THR 22 Cb 0.38 -2.82 -0.03 0.00 1.34 0.00 0.00 72.50 71.37 3kvz s THR 22 CO 0.11 0.00 1.73 0.58 -0.54 0.00 0.00 174.62 176.50 3kvz h VAL 23 N -1.02 0.89 -0.20 2.29 2.07 -1.69 -2.40 116.25 116.19 3kvz h VAL 23 Ca -0.41 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.12 3kvz h VAL 23 Cb 1.26 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 3kvz h VAL 23 CO 0.43 0.02 0.17 0.08 0.02 0.00 0.00 177.57 178.30 3kvz h ARG 24 N 0.13 0.00 0.00 1.57 0.11 -1.88 -1.61 114.38 112.71 3kvz h ARG 24 Ca 0.11 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.19 3kvz h ARG 24 Cb 0.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.19 3kvz h ARG 24 CO -0.15 0.00 -0.28 0.72 0.10 0.00 0.00 179.97 180.36 3kvz n HIS 25 N -4.14 0.74 -0.04 4.08 8.25 -0.92 -2.68 115.22 120.51 3kvz n HIS 25 Ca 0.02 0.21 -0.14 0.00 -0.26 0.00 0.00 57.72 57.55 3kvz n HIS 25 Cb 0.30 -0.80 -0.09 0.00 1.12 0.00 0.00 29.99 30.53 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 0.35 -7.05 2.41 5.85 -1.13 -3.38 115.31 112.36 3kvz h LEU 26 Ca 0.00 -0.59 -0.62 0.00 0.84 0.00 0.00 57.88 57.51 3kvz h LEU 26 Cb 0.73 -0.10 -0.41 0.00 0.37 0.00 0.00 40.66 41.25 3kvz h LEU 26 CO 0.00 0.89 -0.69 -0.31 -0.34 0.00 0.00 178.44 177.98 3kvz s TYR 27 N -3.85 2.59 0.49 1.25 2.02 -1.23 -4.96 117.35 113.66 3kvz s TYR 27 Ca -0.14 -2.83 0.21 0.00 -0.37 0.00 0.00 57.07 53.94 3kvz s TYR 27 Cb 0.04 -2.23 1.35 0.00 -0.40 0.00 0.00 41.96 40.72 3kvz s TYR 27 CO 0.76 -0.72 2.10 -1.35 -1.57 0.00 0.00 175.55 174.77 3kvz h PRO 28 N 6.24 0.00 -1.08 -1.71 0.11 -1.70 -2.55 132.00 131.31 3kvz h PRO 28 Ca 0.04 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.95 3kvz h PRO 28 Cb 0.87 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 31.87 3kvz h PRO 28 CO 0.58 0.09 0.25 0.39 -0.21 0.00 0.00 178.00 179.10 3kvz n GLU 29 N -4.08 1.47 -3.95 1.05 4.71 -1.26 -4.74 120.64 113.83 3kvz n GLU 29 Ca -0.03 -1.09 -0.31 0.00 -0.01 0.00 0.00 57.16 55.73 3kvz n GLU 29 Cb 0.18 -1.43 -0.15 0.00 -1.01 0.00 0.00 31.44 29.03 3kvz n GLU 29 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3kvz s SER 30 N 0.23 4.00 0.36 1.62 0.15 -0.96 -4.98 113.70 114.12 3kvz s SER 30 Ca 0.21 -1.29 0.17 0.00 0.70 0.00 0.00 55.95 55.74 3kvz s SER 30 Cb 0.17 -1.24 0.62 0.00 -1.71 0.00 0.00 66.02 63.86 3kvz s SER 30 CO 0.03 -0.25 1.71 -0.65 1.20 0.00 0.00 173.24 175.29 3kvz h PRO 31 N 7.91 0.00 0.00 5.44 0.11 -1.88 -2.50 132.00 141.08 3kvz h PRO 31 Ca -0.17 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.90 3kvz h PRO 31 Cb 1.06 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3kvz h PRO 31 CO 0.43 0.41 -0.18 0.93 -0.21 0.00 0.00 178.00 179.38 3kvz h GLU 32 N 0.00 0.00 0.00 1.05 3.07 -1.97 -2.93 114.58 113.81 3kvz h GLU 32 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3kvz h GLU 32 Cb 0.94 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.85 3kvz h GLU 32 CO 0.05 0.18 -1.33 1.19 -1.40 0.00 0.00 179.01 177.71 3kvz n PHE 33 N -3.95 0.44 0.22 4.33 3.72 -1.13 -4.58 117.46 116.50 3kvz n PHE 33 Ca -0.02 0.13 0.13 0.00 -0.05 0.00 0.00 57.45 57.63 3kvz n PHE 33 Cb 0.27 -0.65 0.73 0.00 -0.94 0.00 0.00 39.48 38.89 3kvz n PHE 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kvz h ALA 34 N 2.17 1.97 -0.28 4.37 0.00 -1.25 -1.40 119.26 124.84 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 0.91 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3kvz h ALA 34 CO 0.00 -0.15 0.00 0.39 0.00 0.00 0.00 179.25 179.49 3kvz n GLU 35 N -4.28 2.07 -0.90 0.00 -0.58 -1.26 -4.88 120.64 110.81 3kvz n GLU 35 Ca -0.00 -1.61 -0.30 0.00 -0.42 0.00 0.00 57.16 54.82 3kvz n GLU 35 Cb 0.21 -1.44 0.16 0.00 -0.57 0.00 0.00 31.44 29.80 3kvz n GLU 35 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 3kvz s PHE 36 N -1.63 1.92 0.45 -0.32 0.40 -0.53 -4.98 117.98 113.29 3kvz s PHE 36 Ca 0.34 1.52 -0.24 0.00 -0.60 0.00 0.00 56.93 57.96 3kvz s PHE 36 Cb 0.19 -3.20 -0.10 0.00 0.51 0.00 0.00 43.02 40.43 3kvz s PHE 36 CO 0.28 -2.70 1.04 -2.30 0.70 0.00 0.00 175.22 172.24 3kvz n PRO 37 N -4.13 1.37 -1.70 0.24 -0.02 -1.26 -4.85 135.00 124.65 3kvz n PRO 37 Ca 0.09 0.49 -0.42 0.00 -2.02 0.00 0.00 63.50 61.64 3kvz n PRO 37 Cb 0.53 -2.11 -0.00 0.00 -0.02 0.00 0.00 33.50 31.90 3kvz n PRO 37 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kvz n GLU 38 N -0.03 3.02 -4.43 -0.52 -0.58 -1.26 -4.49 120.64 112.36 3kvz n GLU 38 Ca 0.10 -2.59 -0.25 0.00 -0.42 0.00 0.00 57.16 53.99 3kvz n GLU 38 Cb 0.40 -3.20 -0.11 0.00 -0.57 0.00 0.00 31.44 27.97 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 2.89 2.52 -0.27 2.62 -7.23 -1.26 -4.41 120.40 115.27 3kvz s VAL 39 Ca 0.50 -2.16 -0.34 0.00 -1.81 0.00 0.00 61.98 58.17 3kvz s VAL 39 Cb 0.14 -2.27 -0.11 0.00 0.56 0.00 0.00 36.38 34.71 3kvz s VAL 39 CO -0.08 -0.25 2.08 0.33 -0.31 0.00 0.00 175.10 176.87 3kvz n PHE 40 N -0.19 1.86 -2.06 2.82 7.35 0.31 -2.35 117.46 125.21 3kvz n PHE 40 Ca -0.09 0.18 -0.40 0.00 -0.76 0.00 0.00 57.45 56.38 3kvz n PHE 40 Cb 0.58 -2.58 -0.01 0.00 0.35 0.00 0.00 39.48 37.81 3kvz n PHE 40 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3kvz s ALA 41 N 6.37 3.39 0.28 3.13 0.00 -0.99 -4.73 121.76 129.22 3kvz s ALA 41 Ca 1.04 1.27 -0.01 0.00 0.00 0.00 0.00 51.96 54.26 3kvz s ALA 41 Cb -0.77 -3.49 0.46 0.00 0.00 0.00 0.00 23.12 19.31 3kvz s ALA 41 CO 0.49 -0.76 1.91 1.15 0.00 0.00 0.00 175.76 178.55 3kvz h THR 42 N 2.75 1.10 -0.09 0.00 2.02 -1.93 0.15 112.91 116.91 3kvz h THR 42 Ca -0.49 -0.38 0.03 0.00 0.77 0.00 0.00 66.41 66.33 3kvz h THR 42 Cb 1.24 -0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.52 3kvz h THR 42 CO 0.64 0.20 0.07 1.23 0.37 0.00 0.00 175.52 178.04 3kvz h GLY 43 N 1.12 0.00 1.10 2.16 0.00 -1.98 0.37 103.07 105.84 3kvz h GLY 43 Ca 0.40 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.40 3kvz h GLY 43 CO -0.15 0.00 -1.62 0.74 0.00 0.00 0.00 176.54 175.51 3kvz h PHE 44 N 0.00 0.65 0.06 5.60 0.04 -1.13 -1.78 116.94 120.38 3kvz h PHE 44 Ca 0.04 -0.48 0.01 0.00 2.80 0.00 0.00 57.97 60.34 3kvz h PHE 44 Cb 0.19 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 3kvz h PHE 44 CO 0.00 1.54 -0.09 1.98 -0.60 0.00 0.00 178.31 181.15 3kvz h MET 45 N 0.10 -0.17 -0.55 1.51 4.05 -0.50 0.10 114.93 119.47 3kvz h MET 45 Ca -0.29 0.01 0.11 0.00 -0.28 0.00 0.00 59.70 59.25 3kvz h MET 45 Cb 2.08 0.04 -0.11 0.00 -0.80 0.00 0.00 31.60 32.81 3kvz h MET 45 CO 0.19 -0.12 -0.23 0.28 0.23 0.00 0.00 176.91 177.26 3kvz h VAL 46 N -0.18 0.31 -0.73 -5.77 2.07 -0.33 0.28 116.25 111.89 3kvz h VAL 46 Ca 0.01 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.61 3kvz h VAL 46 Cb 0.19 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 30.21 3kvz h VAL 46 CO -0.05 0.00 0.40 1.23 0.02 0.00 0.00 177.57 179.18 3kvz h GLY 47 N -0.10 1.09 1.21 2.17 0.00 -0.84 -0.30 103.07 106.30 3kvz h GLY 47 Ca 0.25 -0.27 -0.15 0.00 0.00 0.00 0.00 47.33 47.16 3kvz h GLY 47 CO -0.61 0.13 -0.36 -2.00 0.00 0.00 0.00 176.54 173.70 3kvz h LEU 48 N 0.71 0.93 -0.08 3.11 5.85 0.27 -1.75 115.31 124.34 3kvz h LEU 48 Ca 0.34 -0.41 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 3kvz h LEU 48 Cb 0.27 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 3kvz h LEU 48 CO -0.22 1.19 0.05 0.24 -0.34 0.00 0.00 178.44 179.36 3kvz h MET 49 N 0.72 0.11 -0.28 1.25 2.86 -0.58 -1.53 114.93 117.49 3kvz h MET 49 Ca 0.07 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.73 3kvz h MET 49 Cb 0.93 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.54 3kvz h MET 49 CO 0.09 0.13 0.08 0.93 1.06 0.00 0.00 176.91 179.19 3kvz h GLU 50 N 0.06 0.18 -0.60 1.72 5.08 -0.97 -2.64 114.58 117.41 3kvz h GLU 50 Ca 0.03 -0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.49 3kvz h GLU 50 Cb 0.05 -0.04 -0.12 0.00 0.50 0.00 0.00 28.75 29.14 3kvz h GLU 50 CO -0.01 0.12 -0.23 2.35 -1.00 0.00 0.00 179.01 180.25 3kvz h TRP 51 N 0.19 -0.57 -0.55 4.33 7.01 -1.22 0.52 115.95 125.66 3kvz h TRP 51 Ca 0.13 0.06 0.11 0.00 2.11 0.00 0.00 58.89 61.30 3kvz h TRP 51 Cb 0.11 0.34 -0.11 0.00 -2.10 0.00 0.00 29.16 27.41 3kvz h TRP 51 CO -0.15 -0.32 -0.20 0.00 -2.79 0.00 0.00 178.44 174.98 3kvz h ALA 52 N 1.36 0.24 -0.59 2.65 0.00 -1.02 -1.22 119.26 120.68 3kvz h ALA 52 Ca 0.27 0.20 -0.11 0.00 0.00 0.00 0.00 54.91 55.28 3kvz h ALA 52 Cb 0.51 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3kvz h ALA 52 CO -0.66 -0.51 -0.05 0.00 0.00 0.00 0.00 179.25 178.04 3kvz h VAL 54 N 0.96 0.58 -0.13 0.00 2.07 0.22 -2.72 116.25 117.23 3kvz h VAL 54 Ca 0.16 -0.08 -0.18 0.00 0.82 0.00 0.00 66.70 67.42 3kvz h VAL 54 Cb 0.61 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3kvz h VAL 54 CO 0.04 0.04 -0.66 0.03 0.02 0.00 0.00 177.57 177.04 3kvz h ARG 55 N 0.24 0.51 -0.80 1.57 3.08 -0.70 -2.28 114.38 115.99 3kvz h ARG 55 Ca 0.35 -0.38 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 3kvz h ARG 55 Cb 0.55 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.63 3kvz h ARG 55 CO -0.46 1.00 0.42 0.00 -1.07 0.00 0.00 179.97 179.86 3kvz h ALA 56 N 0.91 1.22 0.00 0.04 0.00 -1.22 -3.04 119.26 117.16 3kvz h ALA 56 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3kvz h ALA 56 Cb 1.23 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3kvz h ALA 56 CO 0.12 0.62 -0.75 0.00 0.00 0.00 0.00 179.25 179.23 3kvz h MET 57 N 1.13 0.00 -0.56 0.00 -0.00 -1.40 -3.39 114.93 110.71 3kvz h MET 57 Ca 0.28 0.00 0.09 0.00 -0.00 0.00 0.00 59.70 60.08 3kvz h MET 57 Cb 0.06 0.00 -0.07 0.00 -0.00 0.00 0.00 31.60 31.59 3kvz h MET 57 CO -0.04 0.00 0.14 0.00 -0.00 0.00 0.00 176.91 177.01 3kvz h ALA 58 N 2.41 0.66 0.00 -3.00 0.00 -1.29 -0.41 119.26 117.64 3kvz h ALA 58 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3kvz h ALA 58 Cb 0.79 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3kvz h ALA 58 CO 0.00 -0.27 0.00 -0.35 0.00 0.00 0.00 179.25 178.63 3kvz n PRO 59 N -5.08 0.12 0.00 0.00 -0.04 -1.26 -2.59 135.00 126.15 3kvz n PRO 59 Ca 0.07 0.62 0.10 0.00 -0.04 0.00 0.00 63.50 64.25 3kvz n PRO 59 Cb 0.27 -1.91 -0.07 0.00 -0.04 0.00 0.00 33.50 31.76 3kvz n PRO 59 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3kvz n TYR 60 N -2.17 0.00 -2.83 0.54 4.01 -0.17 -4.98 117.16 111.56 3kvz n TYR 60 Ca -0.01 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.36 3kvz n TYR 60 Cb 0.03 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.00 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 -2.75 4.38 0.56 7.72 1.43 -1.07 -5.00 118.68 123.95 3kvz s LEU 61 Ca 0.12 1.79 -0.15 0.00 -1.03 0.00 0.00 54.13 54.86 3kvz s LEU 61 Cb 0.16 -3.89 -0.06 0.00 0.03 0.00 0.00 46.19 42.43 3kvz s LEU 61 CO 0.72 -0.02 1.01 -1.61 0.23 0.00 0.00 176.35 176.68 3kvz s GLU 62 N -1.92 3.76 0.25 1.70 0.41 -1.26 -4.96 118.70 116.68 3kvz s GLU 62 Ca 0.48 0.91 -0.31 0.00 -0.41 0.00 0.00 54.97 55.64 3kvz s GLU 62 Cb -0.19 -2.11 -0.13 0.00 -1.78 0.00 0.00 34.13 29.92 3kvz s GLU 62 CO 0.24 -0.43 1.38 -2.30 -0.49 0.00 0.00 175.26 173.67 3kvz n PRO 63 N -2.03 2.00 -0.37 0.39 -0.02 -1.26 -1.28 135.00 132.43 3kvz n PRO 63 Ca 0.07 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3kvz n PRO 63 Cb 0.54 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 3kvz n PRO 63 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kvz n GLY 64 N 2.02 2.24 3.82 -1.23 0.00 -1.26 -5.03 105.19 105.75 3kvz n GLY 64 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.00 4.26 0.00 1.61 2.02 -0.41 -1.65 118.70 124.53 3kvz s GLU 65 Ca 0.00 0.91 0.00 0.00 0.02 0.00 0.00 54.97 55.90 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 0.49 5.97 3.37 -1.39 0.00 0.07 -4.84 105.19 108.85 3kvz n GLY 66 Ca -0.00 -1.62 -0.13 0.00 0.00 0.00 0.00 46.02 44.27 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 0.94 -0.38 0.06 1.61 1.04 -1.26 -1.10 113.70 114.61 3kvz s SER 67 Ca 0.00 0.05 0.06 0.00 0.48 0.00 0.00 55.95 56.55 3kvz s SER 67 Cb 0.00 0.48 -0.03 0.00 0.10 0.00 0.00 66.02 66.57 3kvz s SER 67 CO 0.00 -0.74 -0.18 -0.76 0.98 0.00 0.00 173.24 172.54 3kvz s LEU 68 N -2.14 2.22 0.07 2.42 1.43 -0.48 -4.93 118.68 117.27 3kvz s LEU 68 Ca -0.04 -0.55 -0.30 0.00 -1.03 0.00 0.00 54.13 52.21 3kvz s LEU 68 Cb -0.00 -0.78 -0.05 0.00 0.03 0.00 0.00 46.19 45.39 3kvz s LEU 68 CO -0.04 0.06 0.98 -0.83 0.23 0.00 0.00 176.35 176.75 3kvz s GLY 69 N -1.42 2.95 0.00 -3.19 0.00 -1.26 -0.34 107.32 104.06 3kvz s GLY 69 Ca 0.04 0.58 0.06 0.00 0.00 0.00 0.00 44.72 45.40 3kvz s GLY 69 CO 0.02 1.56 0.41 -1.30 0.00 0.00 0.00 173.10 173.79 3kvz n THR 70 N 3.18 0.00 -3.53 0.90 -2.24 0.40 -4.91 114.28 108.08 3kvz n THR 70 Ca 0.04 -0.43 -0.14 0.00 -2.27 0.00 0.00 64.05 61.26 3kvz n THR 70 Cb 0.50 1.05 -0.05 0.00 -2.10 0.00 0.00 70.33 69.73 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 -1.10 -1.83 -0.06 6.98 0.00 -1.10 -4.96 121.76 119.70 3kvz s ALA 71 Ca 0.04 1.33 -0.02 0.00 0.00 0.00 0.00 51.96 53.31 3kvz s ALA 71 Cb 0.04 -0.18 0.04 0.00 0.00 0.00 0.00 23.12 23.03 3kvz s ALA 71 CO 0.16 -0.41 0.12 -1.50 0.00 0.00 0.00 175.76 174.13 3kvz s ILE 72 N -1.55 -0.13 -0.19 0.00 1.10 -1.26 -0.70 121.20 118.47 3kvz s ILE 72 Ca -0.05 0.28 -0.02 0.00 -0.51 0.00 0.00 60.65 60.35 3kvz s ILE 72 Cb -0.00 -0.22 0.06 0.00 0.15 0.00 0.00 42.46 42.44 3kvz s ILE 72 CO 0.03 0.12 0.02 0.00 -2.11 0.00 0.00 174.94 172.99 3kvz s VAL 74 N 1.81 0.13 0.11 0.00 -7.23 -1.26 -0.40 120.40 113.55 3kvz s VAL 74 Ca -0.01 -1.04 0.04 0.00 -1.81 0.00 0.00 61.98 59.16 3kvz s VAL 74 Cb -0.17 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 3kvz s VAL 74 CO -0.08 -0.57 0.09 0.42 -0.31 0.00 0.00 175.10 174.65 3kvz s THR 75 N -3.41 4.47 -0.28 5.32 -4.23 -0.64 -4.96 115.64 111.91 3kvz s THR 75 Ca 0.01 -0.89 0.00 0.00 -1.18 0.00 0.00 61.69 59.63 3kvz s THR 75 Cb 0.03 -3.19 0.08 0.00 1.34 0.00 0.00 72.50 70.76 3kvz s THR 75 CO -0.09 0.05 0.05 -2.28 -0.54 0.00 0.00 174.62 171.81 3kvz s HIS 76 N -1.50 2.08 -0.25 3.99 2.46 -1.26 -2.64 115.29 118.17 3kvz s HIS 76 Ca 0.29 -1.81 0.09 0.00 0.47 0.00 0.00 55.06 54.11 3kvz s HIS 76 Cb -0.11 -1.77 -0.11 0.00 -0.13 0.00 0.00 32.58 30.46 3kvz s HIS 76 CO 0.22 -0.83 0.30 0.25 -2.47 0.00 0.00 174.74 172.22 3kvz n THR 77 N 4.75 0.00 -3.96 0.89 -2.24 0.29 -4.97 114.28 109.04 3kvz n THR 77 Ca -0.04 -0.26 -0.08 0.00 -2.27 0.00 0.00 64.05 61.40 3kvz n THR 77 Cb 0.43 0.72 -0.09 0.00 -2.10 0.00 0.00 70.33 69.30 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 -2.14 0.08 -0.09 6.98 0.00 -1.22 -4.97 121.76 120.41 3kvz s ALA 78 Ca 0.01 -0.84 -0.09 0.00 0.00 0.00 0.00 51.96 51.04 3kvz s ALA 78 Cb 0.06 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 3kvz s ALA 78 CO 0.36 -0.43 0.21 0.00 0.00 0.00 0.00 175.76 175.90 3kvz s ALA 79 N -3.73 3.83 -0.22 0.00 0.00 -1.26 -4.78 121.76 115.60 3kvz s ALA 79 Ca 0.05 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.48 3kvz s ALA 79 Cb 0.05 -2.08 0.03 0.00 0.00 0.00 0.00 23.12 21.13 3kvz s ALA 79 CO -0.10 0.59 -0.13 0.99 0.00 0.00 0.00 175.76 177.10 3kvz s THR 80 N -1.05 2.35 0.56 0.00 2.01 -1.26 -4.99 115.64 113.26 3kvz s THR 80 Ca 0.17 -1.13 -0.08 0.00 0.31 0.00 0.00 61.69 60.96 3kvz s THR 80 Cb -0.13 -2.15 -0.03 0.00 0.01 0.00 0.00 72.50 70.19 3kvz s THR 80 CO 0.07 0.29 0.91 -2.16 -0.69 0.00 0.00 174.62 173.03 3kvz s PRO 81 N 1.26 3.46 0.32 4.92 0.04 -1.26 -0.53 135.00 143.20 3kvz s PRO 81 Ca 0.00 0.40 -0.28 0.00 0.04 0.00 0.00 61.00 61.16 3kvz s PRO 81 Cb -0.16 -2.24 -0.13 0.00 0.04 0.00 0.00 34.50 32.02 3kvz s PRO 81 CO -0.08 -0.44 1.17 -2.30 0.04 0.00 0.00 177.00 175.39 3kvz n PRO 82 N -2.52 1.79 0.00 0.56 -0.02 -1.26 -3.53 135.00 130.02 3kvz n PRO 82 Ca 0.03 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3kvz n PRO 82 Cb 0.55 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 3kvz n PRO 82 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kvz n GLY 83 N 0.96 2.14 3.77 -1.23 0.00 0.48 -4.98 105.19 106.33 3kvz n GLY 83 Ca 0.07 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 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 3.65 -0.21 0.99 1.43 -1.23 -4.70 118.68 118.61 3kvz s LEU 84 Ca 0.00 2.17 -0.17 0.00 -1.03 0.00 0.00 54.13 55.10 3kvz s LEU 84 Cb 0.00 -4.58 -0.03 0.00 0.03 0.00 0.00 46.19 41.61 3kvz s LEU 84 CO 0.00 -1.38 0.46 -0.89 0.23 0.00 0.00 176.35 174.78 3kvz s THR 85 N -1.88 5.14 -0.15 5.49 2.01 -1.26 -1.32 115.64 123.68 3kvz s THR 85 Ca 0.72 0.83 -0.21 0.00 0.31 0.00 0.00 61.69 63.35 3kvz s THR 85 Cb -0.24 -3.79 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 3kvz s THR 85 CO 0.31 0.20 0.60 -0.69 -0.69 0.00 0.00 174.62 174.35 3kvz s VAL 86 N 1.59 5.07 -0.23 3.82 1.01 0.38 -3.88 120.40 128.16 3kvz s VAL 86 Ca 0.21 1.18 -0.05 0.00 0.00 0.00 0.00 61.98 63.32 3kvz s VAL 86 Cb -0.15 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 3kvz s VAL 86 CO 0.09 0.20 -0.00 -0.89 0.00 0.00 0.00 175.10 174.50 3kvz s THR 87 N 1.34 3.73 -0.12 3.92 2.01 -0.25 -0.13 115.64 126.14 3kvz s THR 87 Ca 0.30 -0.37 -0.03 0.00 0.31 0.00 0.00 61.69 61.90 3kvz s THR 87 Cb -0.16 -2.71 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 3kvz s THR 87 CO 0.12 0.39 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.74 3kvz s VAL 88 N 1.50 4.17 -0.11 3.82 1.01 0.49 -1.96 120.40 129.33 3kvz s VAL 88 Ca 0.06 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.77 3kvz s VAL 88 Cb -0.15 -2.79 0.01 0.00 0.00 0.00 0.00 36.38 33.46 3kvz s VAL 88 CO -0.01 0.55 -0.15 -0.89 0.00 0.00 0.00 175.10 174.61 3kvz s THR 89 N -0.34 1.49 -0.18 3.92 2.01 -0.30 -0.61 115.64 121.63 3kvz s THR 89 Ca 0.07 -0.64 -0.02 0.00 0.31 0.00 0.00 61.69 61.40 3kvz s THR 89 Cb -0.12 -1.36 -0.01 0.00 0.01 0.00 0.00 72.50 71.01 3kvz s THR 89 CO 0.02 0.44 -0.08 0.00 -0.69 0.00 0.00 174.62 174.31 3kvz s ALA 90 N 0.98 2.75 -0.16 7.40 0.00 0.53 -1.86 121.76 131.40 3kvz s ALA 90 Ca -0.07 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.87 3kvz s ALA 90 Cb -0.15 -1.49 0.01 0.00 0.00 0.00 0.00 23.12 21.49 3kvz s ALA 90 CO -0.01 -0.11 -0.18 -2.00 0.00 0.00 0.00 175.76 173.46 3kvz s GLU 91 N 0.93 3.11 0.13 0.00 2.12 0.11 -1.00 118.70 124.10 3kvz s GLU 91 Ca -0.01 -0.79 -0.31 0.00 0.36 0.00 0.00 54.97 54.21 3kvz s GLU 91 Cb -0.15 -2.59 -0.09 0.00 0.26 0.00 0.00 34.13 31.56 3kvz s GLU 91 CO 0.00 -0.08 1.59 -1.17 -0.54 0.00 0.00 175.26 175.06 3kvz s LEU 92 N 1.02 4.37 -0.10 2.70 2.96 0.02 -0.40 118.68 129.24 3kvz s LEU 92 Ca -0.02 2.55 0.03 0.00 -0.22 0.00 0.00 54.13 56.47 3kvz s LEU 92 Cb -0.15 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 42.88 3kvz s LEU 92 CO -0.05 -0.83 -0.06 0.54 -1.32 0.00 0.00 176.35 174.63 3kvz n ARG 93 N 4.52 0.98 -3.64 1.98 5.12 -0.25 -0.68 116.66 124.70 3kvz n ARG 93 Ca 0.14 0.04 -0.16 0.00 -1.93 0.00 0.00 57.85 55.95 3kvz n ARG 93 Cb 0.39 -1.22 -0.07 0.00 -1.16 0.00 0.00 32.46 30.40 3kvz n ARG 93 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3kvz s SER 94 N -4.76 -0.45 -0.35 0.55 1.04 -0.92 -4.86 113.70 103.93 3kvz s SER 94 Ca -0.12 0.49 0.01 0.00 0.48 0.00 0.00 55.95 56.81 3kvz s SER 94 Cb 0.03 0.50 0.14 0.00 0.10 0.00 0.00 66.02 66.80 3kvz s SER 94 CO 0.28 -0.50 0.26 -0.69 0.98 0.00 0.00 173.24 173.58 3kvz s VAL 95 N -1.10 -0.04 -0.38 5.02 1.01 -1.26 -0.65 120.40 122.99 3kvz s VAL 95 Ca -0.11 -1.39 -0.09 0.00 0.00 0.00 0.00 61.98 60.39 3kvz s VAL 95 Cb -0.03 -0.96 0.04 0.00 0.00 0.00 0.00 36.38 35.44 3kvz s VAL 95 CO 0.07 -0.83 0.20 -1.61 0.00 0.00 0.00 175.10 172.92 3kvz s GLU 96 N 1.28 2.71 7.27 2.72 2.02 -0.95 -4.99 118.70 128.76 3kvz s GLU 96 Ca 0.17 -1.21 0.00 0.00 0.02 0.00 0.00 54.97 53.95 3kvz s GLU 96 Cb -0.20 -3.68 0.00 0.00 0.10 0.00 0.00 34.13 30.35 3kvz s GLU 96 CO -0.03 -0.76 0.00 0.41 0.02 0.00 0.00 175.26 174.89 3kvz n GLY 97 N 4.93 2.01 0.34 -1.39 0.00 -1.26 -2.14 105.19 107.69 3kvz n GLY 97 Ca -0.11 -0.42 0.13 0.00 0.00 0.00 0.00 46.02 45.62 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 12.55 1.11 -3.68 1.61 5.12 -1.26 -4.90 116.66 127.21 3kvz n ARG 98 Ca 0.00 -0.69 -0.36 0.00 -1.93 0.00 0.00 57.85 54.87 3kvz n ARG 98 Cb 0.00 -1.49 -0.08 0.00 -1.16 0.00 0.00 32.46 29.73 3kvz n ARG 98 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 3kvz s ARG 99 N -2.37 4.18 -0.07 5.56 1.04 -0.91 -0.51 118.95 125.87 3kvz s ARG 99 Ca 0.27 -0.16 0.04 0.00 -1.04 0.00 0.00 55.73 54.84 3kvz s ARG 99 Cb 0.20 -3.45 0.00 0.00 -2.04 0.00 0.00 34.95 29.66 3kvz s ARG 99 CO 0.48 0.24 -0.21 -0.51 -0.04 0.00 0.00 175.30 175.26 3kvz s LEU 100 N 0.53 1.96 -0.06 -1.89 1.43 0.52 -2.23 118.68 118.94 3kvz s LEU 100 Ca 0.10 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 52.79 3kvz s LEU 100 Cb -0.12 -1.21 -0.01 0.00 0.03 0.00 0.00 46.19 44.89 3kvz s LEU 100 CO 0.00 0.15 -0.23 -0.55 0.23 0.00 0.00 176.35 175.95 3kvz s SER 101 N 0.26 2.83 0.05 2.29 0.15 0.17 -0.55 113.70 118.90 3kvz s SER 101 Ca -0.13 -0.47 0.09 0.00 0.70 0.00 0.00 55.95 56.14 3kvz s SER 101 Cb -0.16 -0.83 -0.03 0.00 -1.71 0.00 0.00 66.02 63.29 3kvz s SER 101 CO 0.06 0.21 -0.25 0.26 1.20 0.00 0.00 173.24 174.72 3kvz s TRP 102 N -0.06 2.16 -0.14 3.44 0.52 -0.11 -1.09 118.94 123.67 3kvz s TRP 102 Ca -0.05 -0.40 -0.20 0.00 0.02 0.00 0.00 56.10 55.47 3kvz s TRP 102 Cb -0.14 -1.28 -0.03 0.00 -1.15 0.00 0.00 33.47 30.87 3kvz s TRP 102 CO 0.04 0.13 0.58 0.50 0.02 0.00 0.00 176.95 178.22 3kvz s ARG 103 N -1.28 4.31 -0.04 4.98 6.06 0.47 -1.50 118.95 131.95 3kvz s ARG 103 Ca 0.11 0.61 0.06 0.00 -2.50 0.00 0.00 55.73 54.00 3kvz s ARG 103 Cb -0.10 -3.49 -0.01 0.00 0.06 0.00 0.00 34.95 31.41 3kvz s ARG 103 CO 0.02 -0.01 -0.22 0.14 -2.50 0.00 0.00 175.30 172.72 3kvz s VAL 104 N 1.15 1.81 0.08 7.11 -7.23 -0.04 0.05 120.40 123.33 3kvz s VAL 104 Ca 0.30 -0.95 -0.04 0.00 -1.81 0.00 0.00 61.98 59.47 3kvz s VAL 104 Cb -0.16 -1.52 -0.02 0.00 0.56 0.00 0.00 36.38 35.23 3kvz s VAL 104 CO 0.12 0.51 0.07 -0.94 -0.31 0.00 0.00 175.10 174.56 3kvz s SER 105 N -0.29 0.32 -0.04 4.85 1.04 -0.78 -0.32 113.70 118.47 3kvz s SER 105 Ca 0.02 -0.89 -0.09 0.00 0.48 0.00 0.00 55.95 55.47 3kvz s SER 105 Cb -0.11 0.27 0.01 0.00 0.10 0.00 0.00 66.02 66.30 3kvz s SER 105 CO 0.01 -0.68 0.20 0.00 0.98 0.00 0.00 173.24 173.76 3kvz s ALA 106 N -3.92 -0.49 0.09 5.32 0.00 -0.17 -1.14 121.76 121.45 3kvz s ALA 106 Ca 0.09 0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.37 3kvz s ALA 106 Cb 0.07 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 3kvz s ALA 106 CO -0.08 -0.17 -0.09 -3.38 0.00 0.00 0.00 175.76 172.04 3kvz s HIS 107 N -0.66 0.98 -0.23 0.00 -3.43 -0.83 -1.21 115.29 109.91 3kvz s HIS 107 Ca -0.08 -0.68 0.14 0.00 -0.80 0.00 0.00 55.06 53.65 3kvz s HIS 107 Cb -0.04 -0.55 0.73 0.00 -1.43 0.00 0.00 32.58 31.29 3kvz s HIS 107 CO 0.01 -0.04 1.66 -0.40 -2.00 0.00 0.00 174.74 173.97 3kvz n ASP 108 N 0.57 5.09 0.00 7.38 5.68 -0.16 -1.10 116.55 134.01 3kvz n ASP 108 Ca -0.16 -3.00 0.00 0.00 -0.50 0.00 0.00 54.79 51.13 3kvz n ASP 108 Cb 0.58 -0.65 0.00 0.00 -1.14 0.00 0.00 41.12 39.91 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 0.19 3.24 0.54 6.12 0.00 -1.25 -4.09 105.19 109.93 3kvz n GLY 109 Ca 0.27 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.94 0.74 -4.40 1.61 0.31 -1.26 -5.06 118.33 108.32 3kvz n VAL 110 Ca 0.00 -0.20 -0.28 0.00 -0.01 0.00 0.00 64.34 63.86 3kvz n VAL 110 Cb 0.00 -1.62 -0.12 0.00 -0.91 0.00 0.00 33.84 31.19 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 -6.13 3.34 0.25 4.52 1.01 -1.26 -5.10 116.67 113.30 3kvz s ASP 111 Ca -0.19 -0.81 -0.30 0.00 0.71 0.00 0.00 52.55 51.96 3kvz s ASP 111 Cb 0.07 -0.23 -0.10 0.00 1.01 0.00 0.00 42.92 43.66 3kvz s ASP 111 CO 0.24 0.14 1.51 -1.61 0.21 0.00 0.00 175.17 175.67 3kvz s GLU 112 N -2.38 4.21 -0.00 8.23 0.41 -1.26 -0.99 118.70 126.92 3kvz s GLU 112 Ca 0.17 2.40 0.03 0.00 -0.41 0.00 0.00 54.97 57.17 3kvz s GLU 112 Cb -0.09 -3.09 -0.05 0.00 -1.78 0.00 0.00 34.13 29.12 3kvz s GLU 112 CO 0.08 -0.52 0.08 0.44 -0.49 0.00 0.00 175.26 174.85 3kvz n ILE 113 N 2.58 0.00 0.00 -1.63 -5.35 -0.35 -4.11 119.36 110.50 3kvz n ILE 113 Ca 0.08 -0.09 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3kvz n ILE 113 Cb 0.39 0.44 0.00 0.00 -1.74 0.00 0.00 39.64 38.73 3kvz n ILE 113 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kvz n GLY 114 N 2.27 -0.64 3.50 3.28 0.00 -1.15 0.10 105.19 112.56 3kvz n GLY 114 Ca -0.01 -1.16 -0.09 0.00 0.00 0.00 0.00 46.02 44.76 3kvz n GLY 114 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kvz s SER 115 N 0.00 -0.39 0.00 1.61 1.04 -1.08 -1.00 113.70 113.88 3kvz s SER 115 Ca 0.00 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.41 3kvz s SER 115 Cb 0.00 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.55 3kvz s SER 115 CO 0.00 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.14 3kvz n GLY 116 N -0.28 -0.63 2.98 7.32 0.00 0.56 -1.62 105.19 113.52 3kvz n GLY 116 Ca -0.10 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.61 0.15 -0.01 2.61 -4.23 0.46 -0.86 115.64 110.15 3kvz s THR 117 Ca 0.00 -0.84 0.03 0.00 -1.18 0.00 0.00 61.69 59.70 3kvz s THR 117 Cb 0.00 -0.28 -0.01 0.00 1.34 0.00 0.00 72.50 73.56 3kvz s THR 117 CO 0.00 -0.43 -0.11 -2.28 -0.54 0.00 0.00 174.62 171.26 3kvz s HIS 118 N -1.30 0.99 0.05 3.99 5.04 -0.56 -0.24 115.29 123.25 3kvz s HIS 118 Ca -0.14 -0.20 0.08 0.00 -1.54 0.00 0.00 55.06 53.26 3kvz s HIS 118 Cb -0.09 -0.65 -0.03 0.00 0.04 0.00 0.00 32.58 31.85 3kvz s HIS 118 CO -0.01 -0.04 -0.22 -1.21 -2.34 0.00 0.00 174.74 170.92 3kvz s GLU 119 N -0.14 1.51 0.07 2.88 2.02 0.12 -0.93 118.70 124.22 3kvz s GLU 119 Ca 0.02 -1.00 0.04 0.00 0.02 0.00 0.00 54.97 54.05 3kvz s GLU 119 Cb -0.05 -1.65 -0.03 0.00 0.10 0.00 0.00 34.13 32.50 3kvz s GLU 119 CO -0.00 0.42 -0.11 1.03 0.02 0.00 0.00 175.26 176.63 3kvz s ARG 120 N -1.22 0.72 -0.09 1.61 0.52 0.29 -0.45 118.95 120.32 3kvz s ARG 120 Ca 0.09 -0.95 0.01 0.00 -0.52 0.00 0.00 55.73 54.37 3kvz s ARG 120 Cb -0.09 -0.53 0.02 0.00 0.52 0.00 0.00 34.95 34.86 3kvz s ARG 120 CO 0.02 0.10 -0.12 0.00 0.02 0.00 0.00 175.30 175.32 3kvz s ALA 121 N -1.69 1.41 0.13 2.13 0.00 0.54 -0.36 121.76 123.93 3kvz s ALA 121 Ca -0.03 -0.54 -0.30 0.00 0.00 0.00 0.00 51.96 51.09 3kvz s ALA 121 Cb -0.08 -0.73 -0.07 0.00 0.00 0.00 0.00 23.12 22.24 3kvz s ALA 121 CO 0.01 -0.07 1.22 0.08 0.00 0.00 0.00 175.76 177.00 3kvz s VAL 122 N 1.00 3.72 0.21 0.00 1.01 0.34 -1.38 120.40 125.30 3kvz s VAL 122 Ca -0.08 1.34 0.09 0.00 0.00 0.00 0.00 61.98 63.33 3kvz s VAL 122 Cb -0.15 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 3kvz s VAL 122 CO -0.01 0.16 -0.17 0.27 0.00 0.00 0.00 175.10 175.35 3kvz s ILE 123 N 0.48 1.97 -0.38 2.22 -4.36 -0.26 -4.93 121.20 115.94 3kvz s ILE 123 Ca 0.56 -2.19 -0.26 0.00 -0.26 0.00 0.00 60.65 58.51 3kvz s ILE 123 Cb -0.32 -2.06 0.02 0.00 1.25 0.00 0.00 42.46 41.34 3kvz s ILE 123 CO 0.33 -0.46 0.92 -2.28 0.24 0.00 0.00 174.94 173.69 3kvz s HIS 124 N -2.59 3.05 0.11 1.37 2.46 -1.26 -0.75 115.29 117.68 3kvz s HIS 124 Ca 0.23 0.70 -0.27 0.00 0.47 0.00 0.00 55.06 56.19 3kvz s HIS 124 Cb -0.03 -3.69 -0.08 0.00 -0.13 0.00 0.00 32.58 28.65 3kvz s HIS 124 CO 0.09 -0.87 1.64 -0.07 -2.47 0.00 0.00 174.74 173.06 3kvz h LEU 125 N 10.14 -0.73 -0.38 8.88 3.38 -1.64 0.17 115.31 135.13 3kvz h LEU 125 Ca -0.23 0.09 0.05 0.00 0.09 0.00 0.00 57.88 57.88 3kvz h LEU 125 Cb 1.08 0.28 -0.05 0.00 0.09 0.00 0.00 40.66 42.06 3kvz h LEU 125 CO 0.99 -0.34 0.10 -0.33 0.09 0.00 0.00 178.44 178.94 3kvz h GLU 126 N -0.45 0.23 -0.27 1.13 3.07 -1.94 0.67 114.58 117.01 3kvz h GLU 126 Ca 0.04 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.88 3kvz h GLU 126 Cb 0.49 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 3kvz h GLU 126 CO -0.16 0.15 0.17 -0.22 -1.40 0.00 0.00 179.01 177.54 3kvz h LYS 127 N 0.23 0.37 -0.49 2.33 3.64 -1.86 -2.08 116.57 118.71 3kvz h LYS 127 Ca 0.18 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 3kvz h LYS 127 Cb 0.19 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 3kvz h LYS 127 CO -0.22 0.29 0.28 0.35 -2.27 0.00 0.00 179.45 177.88 3kvz h PHE 128 N 0.35 0.66 -0.43 1.91 3.57 -0.34 -2.75 116.94 119.92 3kvz h PHE 128 Ca 0.10 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 3kvz h PHE 128 Cb 0.01 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 3kvz h PHE 128 CO -0.05 0.48 0.05 -0.91 -2.23 0.00 0.00 178.31 175.66 3kvz h ASN 129 N 0.66 0.62 -0.23 0.41 2.35 -0.77 -1.11 115.58 117.50 3kvz h ASN 129 Ca 0.17 -0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 3kvz h ASN 129 Cb 0.02 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 3kvz h ASN 129 CO -0.03 0.65 0.06 0.00 -1.65 0.00 0.00 177.43 176.46 3kvz h ALA 130 N 1.43 0.31 -0.99 -0.83 0.00 -1.33 -0.41 119.26 117.43 3kvz h ALA 130 Ca 0.14 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.02 3kvz h ALA 130 Cb 0.32 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.93 3kvz h ALA 130 CO 0.01 -0.04 0.62 -0.22 0.00 0.00 0.00 179.25 179.61 3kvz h LYS 131 N 0.20 0.93 -0.17 0.00 3.64 -1.15 -2.38 116.57 117.64 3kvz h LYS 131 Ca 0.07 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 3kvz h LYS 131 Cb 0.27 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3kvz h LYS 131 CO 0.00 0.62 -0.35 0.28 -2.27 0.00 0.00 179.45 177.72 3kvz h VAL 132 N 0.96 1.34 -0.99 2.00 2.07 -0.96 -3.06 116.25 117.61 3kvz h VAL 132 Ca 0.50 -1.60 0.27 0.00 0.82 0.00 0.00 66.70 66.69 3kvz h VAL 132 Cb 0.52 1.93 -0.06 0.00 -1.52 0.00 0.00 31.29 32.15 3kvz h VAL 132 CO -0.28 0.49 0.68 0.03 0.02 0.00 0.00 177.57 178.51 3kvz h ARG 133 N 0.19 0.19 0.00 1.57 3.08 -0.60 -1.52 114.38 117.30 3kvz h ARG 133 Ca 0.01 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3kvz h ARG 133 Cb 0.95 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.96 3kvz h ARG 133 CO 0.08 0.13 -0.33 0.00 -1.07 0.00 0.00 179.97 178.77 3kvz n GLN 134 N -4.40 0.02 -0.25 0.04 10.64 -0.94 -2.12 117.38 120.36 3kvz n GLN 134 Ca 0.22 0.01 0.07 0.00 -1.83 0.00 0.00 57.00 55.47 3kvz n GLN 134 Cb 0.94 -1.52 0.21 0.00 -0.86 0.00 0.00 30.24 29.01 3kvz n GLN 134 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 3kvz n LYS 135 N -1.55 2.87 -2.70 2.61 2.85 -0.63 -4.99 118.16 116.63 3kvz n LYS 135 Ca 0.06 -2.27 -0.42 0.00 -1.05 0.00 0.00 58.31 54.62 3kvz n LYS 135 Cb 0.34 -1.39 -0.03 0.00 -0.65 0.00 0.00 35.03 33.31 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 -1.09 4.80 -2.00 0.58 2.01 -0.85 -5.10 115.64 113.98 3kvz s THR 136 Ca 0.32 2.04 0.19 0.00 0.31 0.00 0.00 61.69 64.54 3kvz s THR 136 Cb 0.17 -4.31 0.54 0.00 0.01 0.00 0.00 72.50 68.91 3kvz s THR 136 CO 0.20 0.02 1.53 -0.81 -0.69 0.00 0.00 174.62 174.88