#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 3.94 0.39 2.12 3.03 -1.26 -5.01 118.95 122.17 3kvz s ARG 6 Ca 0.00 0.08 -0.26 0.00 2.03 0.00 0.00 55.73 57.58 3kvz s ARG 6 Cb 0.00 -3.31 -0.11 0.00 -1.03 0.00 0.00 34.95 30.50 3kvz s ARG 6 CO 0.00 0.50 1.20 0.28 -1.13 0.00 0.00 175.30 176.15 3kvz n VAL 7 N 2.71 2.36 0.00 4.99 0.31 -1.26 -1.89 118.33 125.55 3kvz n VAL 7 Ca -0.15 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.68 3kvz n VAL 7 Cb 0.53 -1.44 0.00 0.00 -0.91 0.00 0.00 33.84 32.02 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 0.91 3.20 3.74 2.92 0.00 -0.82 -5.01 105.19 110.13 3kvz n GLY 8 Ca 0.07 0.00 -0.42 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 2.57 -4.23 1.61 1.02 -0.79 -4.74 120.64 114.08 3kvz n GLU 9 Ca 0.00 0.91 -0.13 0.00 -0.02 0.00 0.00 57.16 57.92 3kvz n GLU 9 Cb 0.00 -2.64 -0.10 0.00 -0.02 0.00 0.00 31.44 28.68 3kvz n GLU 9 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3kvz s ARG 10 N -1.25 1.01 0.01 3.49 1.70 -1.26 -1.46 118.95 121.19 3kvz s ARG 10 Ca 0.59 -1.42 0.01 0.00 -0.47 0.00 0.00 55.73 54.44 3kvz s ARG 10 Cb -0.51 -0.53 -0.01 0.00 -0.57 0.00 0.00 34.95 33.33 3kvz s ARG 10 CO 0.56 0.05 -0.05 0.12 -1.08 0.00 0.00 175.30 174.90 3kvz s PHE 11 N -3.39 0.42 0.07 5.89 5.36 -0.65 -5.01 117.98 120.68 3kvz s PHE 11 Ca 0.15 -0.26 0.06 0.00 -0.96 0.00 0.00 56.93 55.92 3kvz s PHE 11 Cb 0.03 -0.27 -0.03 0.00 -0.34 0.00 0.00 43.02 42.42 3kvz s PHE 11 CO -0.01 -0.06 -0.16 0.99 -1.46 0.00 0.00 175.22 174.53 3kvz s THR 12 N -0.68 1.28 -0.03 0.12 2.01 -1.26 -1.12 115.64 115.96 3kvz s THR 12 Ca -0.05 -1.30 -0.00 0.00 0.31 0.00 0.00 61.69 60.65 3kvz s THR 12 Cb -0.05 -1.19 0.03 0.00 0.01 0.00 0.00 72.50 71.29 3kvz s THR 12 CO -0.00 -0.12 0.03 -2.28 -0.69 0.00 0.00 174.62 171.55 3kvz s HIS 13 N -1.15 0.16 0.05 4.92 2.46 0.50 -4.98 115.29 117.26 3kvz s HIS 13 Ca 0.01 0.11 0.08 0.00 0.47 0.00 0.00 55.06 55.72 3kvz s HIS 13 Cb -0.10 -0.38 -0.03 0.00 -0.13 0.00 0.00 32.58 31.94 3kvz s HIS 13 CO 0.03 -0.14 -0.19 -0.51 -2.47 0.00 0.00 174.74 171.46 3kvz s ASP 14 N 1.38 3.77 -0.22 9.88 1.01 -1.26 0.31 116.67 131.54 3kvz s ASP 14 Ca -0.05 -0.46 -0.04 0.00 0.71 0.00 0.00 52.55 52.71 3kvz s ASP 14 Cb -0.13 -0.58 0.12 0.00 1.01 0.00 0.00 42.92 43.34 3kvz s ASP 14 CO -0.03 0.24 0.37 0.12 0.21 0.00 0.00 175.17 176.09 3kvz s PHE 15 N -0.95 -0.77 0.05 4.23 5.36 0.11 -4.97 117.98 121.04 3kvz s PHE 15 Ca 0.15 0.98 -0.30 0.00 -0.96 0.00 0.00 56.93 56.79 3kvz s PHE 15 Cb -0.10 0.07 -0.08 0.00 -0.34 0.00 0.00 43.02 42.56 3kvz s PHE 15 CO 0.06 -0.63 1.74 0.08 -1.46 0.00 0.00 175.22 175.00 3kvz s VAL 16 N 2.54 3.02 -0.31 3.12 1.01 -1.26 0.12 120.40 128.64 3kvz s VAL 16 Ca 0.08 0.36 -0.29 0.00 0.00 0.00 0.00 61.98 62.14 3kvz s VAL 16 Cb -0.14 -3.23 0.01 0.00 0.00 0.00 0.00 36.38 33.01 3kvz s VAL 16 CO -0.14 -0.01 1.18 -0.69 0.00 0.00 0.00 175.10 175.44 3kvz s VAL 17 N 3.17 4.33 0.59 2.92 1.01 -0.22 -4.87 120.40 127.34 3kvz s VAL 17 Ca 0.77 1.51 -0.01 0.00 0.00 0.00 0.00 61.98 64.26 3kvz s VAL 17 Cb -0.40 -4.30 0.04 0.00 0.00 0.00 0.00 36.38 31.71 3kvz s VAL 17 CO 0.34 -0.50 0.84 -2.16 0.00 0.00 0.00 175.10 173.62 3kvz s PRO 18 N 3.91 2.45 0.39 2.72 0.04 -1.26 0.17 135.00 143.42 3kvz s PRO 18 Ca 0.50 -0.64 0.12 0.00 0.04 0.00 0.00 61.00 61.02 3kvz s PRO 18 Cb -0.14 -2.40 0.94 0.00 0.04 0.00 0.00 34.50 32.93 3kvz s PRO 18 CO 0.19 -0.85 1.90 -1.35 0.04 0.00 0.00 177.00 176.93 3kvz h PRO 19 N -0.11 0.53 -0.48 0.56 0.11 -1.95 -2.67 132.00 128.00 3kvz h PRO 19 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kvz h PRO 19 Cb 1.30 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3kvz h PRO 19 CO 0.54 0.35 0.00 -2.39 -0.21 0.00 0.00 178.00 176.29 3kvz n HIS 20 N -4.51 0.48 -0.81 0.65 1.44 -1.26 -3.52 115.22 107.69 3kvz n HIS 20 Ca 0.15 -0.20 0.08 0.00 -2.01 0.00 0.00 57.72 55.75 3kvz n HIS 20 Cb 0.49 -0.09 0.26 0.00 0.12 0.00 0.00 29.99 30.76 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 0.23 3.11 -2.53 -1.40 4.76 -1.01 -4.80 118.16 116.52 3kvz n LYS 21 Ca 0.09 -2.72 -0.23 0.00 -2.87 0.00 0.00 58.31 52.59 3kvz n LYS 21 Cb 0.35 -1.77 0.04 0.00 -1.84 0.00 0.00 35.03 31.81 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 -2.42 2.69 0.26 -0.18 -4.23 -1.23 -2.41 115.64 108.12 3kvz s THR 22 Ca 0.40 -0.52 -0.04 0.00 -1.18 0.00 0.00 61.69 60.34 3kvz s THR 22 Cb 0.30 -3.05 0.28 0.00 1.34 0.00 0.00 72.50 71.37 3kvz s THR 22 CO 0.12 -0.04 1.65 0.58 -0.54 0.00 0.00 174.62 176.38 3kvz h VAL 23 N -0.10 0.37 0.00 2.29 2.07 -1.73 -1.09 116.25 118.07 3kvz h VAL 23 Ca -0.43 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3kvz h VAL 23 Cb 1.30 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3kvz h VAL 23 CO 0.55 0.03 0.00 0.08 0.02 0.00 0.00 177.57 178.25 3kvz h ARG 24 N 0.16 0.00 0.00 1.57 0.11 -1.88 -2.26 114.38 112.07 3kvz h ARG 24 Ca 0.45 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.45 3kvz h ARG 24 Cb 0.81 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.88 3kvz h ARG 24 CO -0.63 0.00 -0.85 0.45 0.10 0.00 0.00 179.97 179.03 3kvz h HIS 25 N 0.00 0.00 0.04 4.08 3.86 -1.51 -2.75 115.15 118.88 3kvz h HIS 25 Ca 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3kvz h HIS 25 Cb 0.38 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.85 3kvz h HIS 25 CO 0.00 0.29 -0.02 1.25 0.86 0.00 0.00 177.93 180.31 3kvz h LEU 26 N 0.00 -0.05 -7.05 2.43 5.85 -1.15 -3.34 115.31 112.01 3kvz h LEU 26 Ca -0.05 -0.09 -0.62 0.00 0.84 0.00 0.00 57.88 57.96 3kvz h LEU 26 Cb 1.27 0.01 -0.41 0.00 0.37 0.00 0.00 40.66 41.90 3kvz h LEU 26 CO 0.03 0.06 -0.65 -0.31 -0.34 0.00 0.00 178.44 177.23 3kvz s TYR 27 N -5.78 3.00 -0.29 1.25 2.02 -1.25 -4.94 117.35 111.35 3kvz s TYR 27 Ca -0.14 -3.07 0.19 0.00 -0.37 0.00 0.00 57.07 53.68 3kvz s TYR 27 Cb 0.05 -2.41 1.03 0.00 -0.40 0.00 0.00 41.96 40.22 3kvz s TYR 27 CO 0.66 -0.65 1.58 -2.30 -1.57 0.00 0.00 175.55 173.27 3kvz n PRO 28 N 2.50 0.12 -0.22 -1.71 -0.02 -1.03 -1.21 135.00 133.42 3kvz n PRO 28 Ca 0.17 0.62 0.06 0.00 -2.02 0.00 0.00 63.50 62.32 3kvz n PRO 28 Cb 0.36 -1.91 0.17 0.00 -0.02 0.00 0.00 33.50 32.10 3kvz n PRO 28 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3kvz n GLU 29 N -2.16 2.00 -3.54 -0.52 0.00 -1.26 -4.80 120.64 110.35 3kvz n GLU 29 Ca -0.01 -1.36 -0.42 0.00 0.00 0.00 0.00 57.16 55.37 3kvz n GLU 29 Cb 0.03 -1.36 -0.10 0.00 0.00 0.00 0.00 31.44 30.01 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 -0.92 5.87 0.45 -1.84 0.15 -0.35 -4.90 113.70 112.16 3kvz s SER 30 Ca 0.25 -1.09 0.19 0.00 0.70 0.00 0.00 55.95 56.01 3kvz s SER 30 Cb 0.14 -2.07 1.09 0.00 -1.71 0.00 0.00 66.02 63.46 3kvz s SER 30 CO 0.16 -0.46 1.97 1.55 1.20 0.00 0.00 173.24 177.66 3kvz h PRO 31 N 8.52 0.00 0.00 5.44 0.14 -1.88 -2.18 132.00 142.04 3kvz h PRO 31 Ca -0.26 0.00 -0.04 0.00 0.14 0.00 0.00 66.00 65.84 3kvz h PRO 31 Cb 1.11 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 32.24 3kvz h PRO 31 CO 0.72 0.21 -0.20 0.93 0.14 0.00 0.00 178.00 179.80 3kvz h GLU 32 N 0.00 0.00 0.00 0.86 3.07 -1.96 -2.99 114.58 113.56 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 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 3kvz h GLU 32 CO 0.03 0.20 -1.34 1.19 -1.40 0.00 0.00 179.01 177.69 3kvz n PHE 33 N -3.94 0.26 -0.41 4.33 3.72 -0.99 -4.55 117.46 115.87 3kvz n PHE 33 Ca -0.02 0.08 0.37 0.00 -0.05 0.00 0.00 57.45 57.83 3kvz n PHE 33 Cb 0.29 -0.49 0.72 0.00 -0.94 0.00 0.00 39.48 39.06 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 2.33 3.11 -0.38 4.37 0.00 -1.25 -0.74 119.26 126.70 3kvz h ALA 34 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3kvz h ALA 34 Cb 0.84 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3kvz h ALA 34 CO 0.00 -1.54 0.02 0.39 0.00 0.00 0.00 179.25 178.12 3kvz n GLU 35 N -4.25 3.44 -1.65 0.00 1.02 -1.26 -4.93 120.64 113.01 3kvz n GLU 35 Ca 0.31 -2.96 -0.32 0.00 -0.02 0.00 0.00 57.16 54.16 3kvz n GLU 35 Cb 1.37 -1.98 0.06 0.00 -0.02 0.00 0.00 31.44 30.87 3kvz n GLU 35 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3kvz s PHE 36 N -2.85 2.66 0.27 -0.32 0.40 -0.28 -4.99 117.98 112.86 3kvz s PHE 36 Ca 0.46 1.54 -0.27 0.00 -0.60 0.00 0.00 56.93 58.07 3kvz s PHE 36 Cb 0.37 -3.11 -0.15 0.00 0.51 0.00 0.00 43.02 40.64 3kvz s PHE 36 CO 0.11 -1.65 0.71 -2.30 0.70 0.00 0.00 175.22 172.79 3kvz n PRO 37 N -2.69 0.61 -1.19 0.24 -0.02 -1.26 -4.81 135.00 125.88 3kvz n PRO 37 Ca 0.10 0.22 -0.35 0.00 -2.02 0.00 0.00 63.50 61.44 3kvz n PRO 37 Cb 0.52 -1.40 -0.02 0.00 -0.02 0.00 0.00 33.50 32.58 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 0.85 2.82 -4.34 -0.52 -0.58 -1.26 -4.54 120.64 113.07 3kvz n GLU 38 Ca 0.14 -2.00 -0.26 0.00 -0.42 0.00 0.00 57.16 54.62 3kvz n GLU 38 Cb 0.30 -2.79 -0.09 0.00 -0.57 0.00 0.00 31.44 28.28 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 3.04 2.99 -0.10 2.62 -7.23 -1.26 -4.32 120.40 116.13 3kvz s VAL 39 Ca 0.55 -1.89 -0.35 0.00 -1.81 0.00 0.00 61.98 58.48 3kvz s VAL 39 Cb 0.15 -2.51 -0.12 0.00 0.56 0.00 0.00 36.38 34.45 3kvz s VAL 39 CO -0.04 -0.21 1.86 0.33 -0.31 0.00 0.00 175.10 176.74 3kvz n PHE 40 N -0.21 2.30 -2.41 2.82 7.35 0.54 -2.51 117.46 125.35 3kvz n PHE 40 Ca -0.09 0.05 -0.36 0.00 -0.76 0.00 0.00 57.45 56.28 3kvz n PHE 40 Cb 0.57 -2.64 -0.02 0.00 0.35 0.00 0.00 39.48 37.73 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 3.96 3.01 0.24 3.13 0.00 -1.01 -4.72 121.76 126.37 3kvz s ALA 41 Ca 0.93 0.80 -0.05 0.00 0.00 0.00 0.00 51.96 53.65 3kvz s ALA 41 Cb -0.73 -3.32 0.39 0.00 0.00 0.00 0.00 23.12 19.46 3kvz s ALA 41 CO 0.53 -0.44 1.81 1.15 0.00 0.00 0.00 175.76 178.81 3kvz h THR 42 N 1.97 0.91 -0.42 0.00 2.02 -1.93 -1.70 112.91 113.76 3kvz h THR 42 Ca -0.49 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 3kvz h THR 42 Cb 1.23 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 3kvz h THR 42 CO 0.61 0.14 0.24 1.23 0.37 0.00 0.00 175.52 178.11 3kvz h GLY 43 N 0.78 0.60 1.71 2.16 0.00 -1.98 -0.04 103.07 106.30 3kvz h GLY 43 Ca 0.39 -0.24 -0.22 0.00 0.00 0.00 0.00 47.33 47.25 3kvz h GLY 43 CO -0.25 0.24 -1.00 0.74 0.00 0.00 0.00 176.54 176.27 3kvz h PHE 44 N 0.57 0.39 -0.38 5.60 0.04 -1.72 -2.19 116.94 119.24 3kvz h PHE 44 Ca 0.15 -0.24 -0.06 0.00 2.80 0.00 0.00 57.97 60.62 3kvz h PHE 44 Cb 0.00 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 3kvz h PHE 44 CO 0.00 1.09 -0.03 1.98 -0.60 0.00 0.00 178.31 180.76 3kvz h MET 45 N 0.11 0.62 0.05 1.51 4.05 -0.46 0.17 114.93 120.99 3kvz h MET 45 Ca -0.07 -0.15 -0.00 0.00 -0.28 0.00 0.00 59.70 59.19 3kvz h MET 45 Cb 1.67 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 32.39 3kvz h MET 45 CO 0.16 0.66 -0.02 0.28 0.23 0.00 0.00 176.91 178.22 3kvz h VAL 46 N 0.59 1.04 -0.88 -5.77 2.07 -0.97 0.54 116.25 112.87 3kvz h VAL 46 Ca 0.12 -0.27 0.12 0.00 0.82 0.00 0.00 66.70 67.48 3kvz h VAL 46 Cb 0.41 1.22 -0.08 0.00 -1.52 0.00 0.00 31.29 31.32 3kvz h VAL 46 CO 0.02 0.07 0.50 1.23 0.02 0.00 0.00 177.57 179.41 3kvz h GLY 47 N -0.18 1.41 1.01 2.17 0.00 -1.15 -0.07 103.07 106.25 3kvz h GLY 47 Ca -0.01 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 46.93 3kvz h GLY 47 CO 0.01 0.09 0.06 -2.00 0.00 0.00 0.00 176.54 174.70 3kvz h LEU 48 N 0.79 0.87 -0.18 3.11 5.85 -0.35 -1.61 115.31 123.79 3kvz h LEU 48 Ca 0.44 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.90 3kvz h LEU 48 Cb 0.48 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 3kvz h LEU 48 CO -0.29 0.93 0.07 0.24 -0.34 0.00 0.00 178.44 179.06 3kvz h MET 49 N 0.78 0.16 -0.80 1.25 2.86 -0.19 -2.21 114.93 116.78 3kvz h MET 49 Ca 0.16 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 3kvz h MET 49 Cb 0.45 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.03 3kvz h MET 49 CO 0.02 0.11 0.46 0.93 1.06 0.00 0.00 176.91 179.48 3kvz h GLU 50 N 0.17 1.11 -0.95 1.72 5.08 -0.97 -2.67 114.58 118.06 3kvz h GLU 50 Ca 0.08 -0.12 0.09 0.00 -1.00 0.00 0.00 59.36 58.40 3kvz h GLU 50 Cb 0.03 -0.22 -0.07 0.00 0.50 0.00 0.00 28.75 28.99 3kvz h GLU 50 CO -0.07 0.80 0.60 2.35 -1.00 0.00 0.00 179.01 181.69 3kvz h TRP 51 N 1.11 1.10 -0.72 4.33 7.01 -0.88 0.18 115.95 128.07 3kvz h TRP 51 Ca 0.28 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.27 3kvz h TRP 51 Cb 0.00 -0.35 -0.03 0.00 -2.10 0.00 0.00 29.16 26.68 3kvz h TRP 51 CO -0.00 0.51 0.27 0.00 -2.79 0.00 0.00 178.44 176.42 3kvz h ALA 52 N 1.47 1.11 -0.07 2.65 0.00 -1.05 -1.93 119.26 121.44 3kvz h ALA 52 Ca 0.44 -0.20 -0.21 0.00 0.00 0.00 0.00 54.91 54.94 3kvz h ALA 52 Cb 0.30 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.81 3kvz h ALA 52 CO -0.21 0.63 -0.79 0.00 0.00 0.00 0.00 179.25 178.88 3kvz h VAL 54 N 0.30 0.93 -0.34 0.00 2.07 -0.93 -1.83 116.25 116.46 3kvz h VAL 54 Ca -0.08 -0.25 -0.16 0.00 0.82 0.00 0.00 66.70 67.03 3kvz h VAL 54 Cb 1.45 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3kvz h VAL 54 CO 0.16 0.13 -0.40 0.03 0.02 0.00 0.00 177.57 177.52 3kvz h ARG 55 N 0.73 0.86 -0.65 1.57 3.08 -1.26 -1.92 114.38 116.80 3kvz h ARG 55 Ca 0.35 -0.48 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 3kvz h ARG 55 Cb 0.28 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 3kvz h ARG 55 CO -0.22 1.12 0.31 0.00 -1.07 0.00 0.00 179.97 180.11 3kvz h ALA 56 N 0.73 1.32 0.00 0.04 0.00 -1.16 -3.06 119.26 117.13 3kvz h ALA 56 Ca 0.05 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3kvz h ALA 56 Cb 0.99 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3kvz h ALA 56 CO 0.10 0.53 -0.88 0.00 0.00 0.00 0.00 179.25 178.99 3kvz h MET 57 N 0.92 0.00 -0.83 0.00 -0.00 -1.26 -3.38 114.93 110.38 3kvz h MET 57 Ca 0.23 0.00 0.12 0.00 -0.00 0.00 0.00 59.70 60.05 3kvz h MET 57 Cb 0.10 0.00 -0.13 0.00 -0.00 0.00 0.00 31.60 31.57 3kvz h MET 57 CO -0.03 0.17 -0.34 0.00 -0.00 0.00 0.00 176.91 176.72 3kvz n ALA 58 N -2.24 -0.14 0.28 -3.00 0.00 -0.73 0.15 120.51 114.83 3kvz n ALA 58 Ca -0.02 0.82 0.17 0.00 0.00 0.00 0.00 53.44 54.41 3kvz n ALA 58 Cb 0.67 -0.35 0.90 0.00 0.00 0.00 0.00 19.45 20.66 3kvz n ALA 58 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3kvz h PRO 59 N 0.00 0.00 -0.02 0.00 0.11 -1.76 -2.75 132.00 127.58 3kvz h PRO 59 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 3kvz h PRO 59 Cb 0.49 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.60 3kvz h PRO 59 CO -0.82 0.00 -0.18 0.66 -0.21 0.00 0.00 178.00 177.45 3kvz n TYR 60 N -2.73 0.00 -3.09 0.65 4.01 0.12 -4.94 117.16 111.18 3kvz n TYR 60 Ca -0.02 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.36 3kvz n TYR 60 Cb 0.16 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.13 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 -2.17 4.33 0.59 7.72 1.43 -1.04 -5.04 118.68 124.51 3kvz s LEU 61 Ca 0.24 1.43 -0.14 0.00 -1.03 0.00 0.00 54.13 54.63 3kvz s LEU 61 Cb 0.19 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.75 3kvz s LEU 61 CO 0.40 0.02 1.03 -1.61 0.23 0.00 0.00 176.35 176.41 3kvz s GLU 62 N -2.02 3.55 -0.26 1.70 0.41 -1.26 -4.94 118.70 115.88 3kvz s GLU 62 Ca 0.44 0.97 -0.35 0.00 -0.41 0.00 0.00 54.97 55.62 3kvz s GLU 62 Cb -0.16 -2.07 -0.16 0.00 -1.78 0.00 0.00 34.13 29.96 3kvz s GLU 62 CO 0.21 -0.61 1.11 -2.30 -0.49 0.00 0.00 175.26 173.18 3kvz n PRO 63 N -2.19 0.00 -0.00 0.39 -0.02 -1.26 -1.01 135.00 130.90 3kvz n PRO 63 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 3kvz n PRO 63 Cb 0.54 -1.17 0.00 0.00 -0.02 0.00 0.00 33.50 32.84 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 2.46 1.50 3.87 -1.23 0.00 -1.26 -5.04 105.19 105.49 3kvz n GLY 64 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.50 3.84 0.00 1.61 2.02 -0.18 -1.21 118.70 124.28 3kvz s GLU 65 Ca 0.00 0.31 0.00 0.00 0.02 0.00 0.00 54.97 55.30 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 0.39 0.00 0.41 0.02 0.00 0.00 175.26 176.08 3kvz n GLY 66 N 0.25 4.90 3.39 -1.39 0.00 -0.66 -4.78 105.19 106.90 3kvz n GLY 66 Ca -0.02 -1.21 -0.12 0.00 0.00 0.00 0.00 46.02 44.67 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 1.18 -0.46 0.06 1.61 1.04 -1.26 -1.18 113.70 114.69 3kvz s SER 67 Ca 0.00 -0.00 0.06 0.00 0.48 0.00 0.00 55.95 56.49 3kvz s SER 67 Cb 0.00 0.54 -0.03 0.00 0.10 0.00 0.00 66.02 66.63 3kvz s SER 67 CO 0.00 -0.86 -0.17 -0.76 0.98 0.00 0.00 173.24 172.43 3kvz s LEU 68 N -2.50 2.22 -0.00 2.42 1.43 -0.50 -4.92 118.68 116.83 3kvz s LEU 68 Ca -0.01 -0.55 -0.30 0.00 -1.03 0.00 0.00 54.13 52.24 3kvz s LEU 68 Cb -0.00 -0.74 -0.06 0.00 0.03 0.00 0.00 46.19 45.42 3kvz s LEU 68 CO -0.09 0.05 1.49 -0.83 0.23 0.00 0.00 176.35 177.21 3kvz s GLY 69 N -1.41 1.72 -0.00 -3.19 0.00 -1.26 -1.21 107.32 101.97 3kvz s GLY 69 Ca 0.03 0.94 0.16 0.00 0.00 0.00 0.00 44.72 45.86 3kvz s GLY 69 CO 0.02 2.69 0.66 -1.30 0.00 0.00 0.00 173.10 175.17 3kvz n THR 70 N 4.85 0.00 -3.63 0.90 -2.24 0.64 -4.93 114.28 109.87 3kvz n THR 70 Ca 0.14 -0.13 -0.07 0.00 -2.27 0.00 0.00 64.05 61.72 3kvz n THR 70 Cb 0.43 0.96 -0.06 0.00 -2.10 0.00 0.00 70.33 69.56 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 -2.54 -2.04 -0.02 6.98 0.00 -1.15 -4.95 121.76 118.04 3kvz s ALA 71 Ca 0.05 1.76 0.01 0.00 0.00 0.00 0.00 51.96 53.79 3kvz s ALA 71 Cb 0.12 -1.35 0.01 0.00 0.00 0.00 0.00 23.12 21.90 3kvz s ALA 71 CO 0.66 -0.22 -0.03 -1.50 0.00 0.00 0.00 175.76 174.66 3kvz s ILE 72 N -0.28 0.36 -0.31 0.00 1.10 -1.26 -0.67 121.20 120.14 3kvz s ILE 72 Ca 0.04 -0.10 0.01 0.00 -0.51 0.00 0.00 60.65 60.08 3kvz s ILE 72 Cb -0.03 -0.37 0.14 0.00 0.15 0.00 0.00 42.46 42.35 3kvz s ILE 72 CO -0.07 0.15 0.32 0.00 -2.11 0.00 0.00 174.94 173.23 3kvz s VAL 74 N 2.16 0.86 0.31 0.00 -7.23 -1.26 -0.72 120.40 114.52 3kvz s VAL 74 Ca 0.11 -1.39 -0.03 0.00 -1.81 0.00 0.00 61.98 58.86 3kvz s VAL 74 Cb -0.14 -1.07 -0.05 0.00 0.56 0.00 0.00 36.38 35.69 3kvz s VAL 74 CO -0.26 -0.42 0.56 0.42 -0.31 0.00 0.00 175.10 175.09 3kvz s THR 75 N -1.83 5.05 -0.29 5.32 -4.23 -0.33 -4.94 115.64 114.39 3kvz s THR 75 Ca -0.01 -0.09 -0.04 0.00 -1.18 0.00 0.00 61.69 60.37 3kvz s THR 75 Cb -0.07 -3.78 0.10 0.00 1.34 0.00 0.00 72.50 70.10 3kvz s THR 75 CO 0.01 -0.41 0.13 -2.28 -0.54 0.00 0.00 174.62 171.52 3kvz s HIS 76 N -2.18 0.39 -0.20 3.99 2.46 -1.26 -2.92 115.29 115.57 3kvz s HIS 76 Ca 0.43 -0.93 0.02 0.00 0.47 0.00 0.00 55.06 55.04 3kvz s HIS 76 Cb -0.10 -0.94 0.01 0.00 -0.13 0.00 0.00 32.58 31.42 3kvz s HIS 76 CO 0.32 -0.83 0.50 0.25 -2.47 0.00 0.00 174.74 172.51 3kvz n THR 77 N 5.21 0.00 -3.76 0.89 -2.24 0.12 -4.98 114.28 109.53 3kvz n THR 77 Ca -0.06 -0.50 -0.13 0.00 -2.27 0.00 0.00 64.05 61.10 3kvz n THR 77 Cb 0.42 1.03 -0.09 0.00 -2.10 0.00 0.00 70.33 69.59 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 -0.26 -0.80 0.21 6.98 0.00 -1.23 -4.98 121.76 121.69 3kvz s ALA 78 Ca 0.02 0.39 -0.08 0.00 0.00 0.00 0.00 51.96 52.29 3kvz s ALA 78 Cb 0.01 0.02 -0.07 0.00 0.00 0.00 0.00 23.12 23.09 3kvz s ALA 78 CO 0.03 -0.25 0.50 0.00 0.00 0.00 0.00 175.76 176.03 3kvz s ALA 79 N -1.20 3.64 -0.18 0.00 0.00 -1.26 -4.78 121.76 117.98 3kvz s ALA 79 Ca -0.12 -0.38 -0.00 0.00 0.00 0.00 0.00 51.96 51.45 3kvz s ALA 79 Cb -0.05 -2.33 0.04 0.00 0.00 0.00 0.00 23.12 20.78 3kvz s ALA 79 CO 0.04 0.54 -0.05 0.99 0.00 0.00 0.00 175.76 177.28 3kvz s THR 80 N -1.79 1.15 0.63 0.00 2.01 -1.26 -5.01 115.64 111.37 3kvz s THR 80 Ca 0.45 -0.72 -0.15 0.00 0.31 0.00 0.00 61.69 61.59 3kvz s THR 80 Cb -0.11 -1.35 -0.02 0.00 0.01 0.00 0.00 72.50 71.02 3kvz s THR 80 CO 0.23 0.08 1.07 -2.16 -0.69 0.00 0.00 174.62 173.15 3kvz s PRO 81 N 1.61 3.10 0.49 4.92 0.04 -1.26 -0.34 135.00 143.55 3kvz s PRO 81 Ca -0.00 1.22 -0.24 0.00 0.04 0.00 0.00 61.00 62.02 3kvz s PRO 81 Cb -0.16 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.31 3kvz s PRO 81 CO -0.08 -0.99 1.36 -2.30 0.04 0.00 0.00 177.00 175.03 3kvz n PRO 82 N -2.32 1.94 0.00 0.56 -0.02 -1.26 -3.35 135.00 130.55 3kvz n PRO 82 Ca 0.09 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 3kvz n PRO 82 Cb 0.53 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 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 0.71 3.09 3.79 -1.23 0.00 0.45 -4.94 105.19 107.06 3kvz n GLY 83 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 3.62 -0.22 0.99 1.43 -1.21 -4.73 118.68 118.56 3kvz s LEU 84 Ca 0.00 1.93 -0.19 0.00 -1.03 0.00 0.00 54.13 54.85 3kvz s LEU 84 Cb 0.00 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.64 3kvz s LEU 84 CO 0.00 -1.13 0.53 -0.89 0.23 0.00 0.00 176.35 175.09 3kvz s THR 85 N -2.19 5.08 -0.23 5.49 2.01 -1.25 -1.06 115.64 123.49 3kvz s THR 85 Ca 0.67 0.96 -0.19 0.00 0.31 0.00 0.00 61.69 63.44 3kvz s THR 85 Cb -0.18 -3.85 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 3kvz s THR 85 CO 0.31 0.13 0.55 -0.69 -0.69 0.00 0.00 174.62 174.23 3kvz s VAL 86 N 1.92 5.07 -0.25 3.82 1.01 0.12 -3.62 120.40 128.47 3kvz s VAL 86 Ca 0.24 0.99 -0.09 0.00 0.00 0.00 0.00 61.98 63.11 3kvz s VAL 86 Cb -0.15 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 3kvz s VAL 86 CO 0.09 0.12 0.12 -0.89 0.00 0.00 0.00 175.10 174.54 3kvz s THR 87 N 2.01 4.79 -0.07 3.92 2.01 0.20 0.06 115.64 128.57 3kvz s THR 87 Ca 0.24 -0.01 -0.00 0.00 0.31 0.00 0.00 61.69 62.23 3kvz s THR 87 Cb -0.16 -3.25 -0.03 0.00 0.01 0.00 0.00 72.50 69.08 3kvz s THR 87 CO 0.09 0.32 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.62 3kvz s VAL 88 N 1.50 4.03 -0.09 3.82 1.01 0.15 -2.19 120.40 128.62 3kvz s VAL 88 Ca 0.06 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.67 3kvz s VAL 88 Cb -0.15 -2.69 0.01 0.00 0.00 0.00 0.00 36.38 33.56 3kvz s VAL 88 CO 0.06 0.57 -0.15 -0.89 0.00 0.00 0.00 175.10 174.70 3kvz s THR 89 N -0.88 1.39 -0.17 3.92 2.01 -0.72 -0.37 115.64 120.83 3kvz s THR 89 Ca 0.14 -0.60 -0.02 0.00 0.31 0.00 0.00 61.69 61.51 3kvz s THR 89 Cb -0.11 -1.26 -0.02 0.00 0.01 0.00 0.00 72.50 71.12 3kvz s THR 89 CO 0.03 0.42 -0.08 0.00 -0.69 0.00 0.00 174.62 174.30 3kvz s ALA 90 N 0.82 2.78 -0.14 7.40 0.00 -0.28 -1.37 121.76 130.98 3kvz s ALA 90 Ca -0.11 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 50.90 3kvz s ALA 90 Cb -0.16 -1.48 0.01 0.00 0.00 0.00 0.00 23.12 21.50 3kvz s ALA 90 CO 0.02 -0.02 -0.20 -2.00 0.00 0.00 0.00 175.76 173.56 3kvz s GLU 91 N 0.78 2.83 0.14 0.00 2.12 0.65 -1.63 118.70 123.58 3kvz s GLU 91 Ca -0.03 -0.78 -0.31 0.00 0.36 0.00 0.00 54.97 54.21 3kvz s GLU 91 Cb -0.15 -2.32 -0.08 0.00 0.26 0.00 0.00 34.13 31.83 3kvz s GLU 91 CO 0.02 -0.05 1.39 -1.17 -0.54 0.00 0.00 175.26 174.91 3kvz s LEU 92 N 0.91 4.38 -0.13 2.70 2.96 -0.54 -0.67 118.68 128.28 3kvz s LEU 92 Ca -0.06 2.37 0.04 0.00 -0.22 0.00 0.00 54.13 56.27 3kvz s LEU 92 Cb -0.15 -3.59 -0.11 0.00 0.50 0.00 0.00 46.19 42.84 3kvz s LEU 92 CO -0.03 -0.65 -0.07 0.54 -1.32 0.00 0.00 176.35 174.82 3kvz n ARG 93 N 3.69 1.01 -3.71 1.98 5.12 0.18 -1.94 116.66 122.99 3kvz n ARG 93 Ca 0.11 0.05 -0.13 0.00 -1.93 0.00 0.00 57.85 55.95 3kvz n ARG 93 Cb 0.42 -1.29 -0.07 0.00 -1.16 0.00 0.00 32.46 30.36 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 -5.04 -0.23 -0.07 0.55 1.04 -1.04 -4.89 113.70 104.02 3kvz s SER 94 Ca -0.15 -0.02 -0.01 0.00 0.48 0.00 0.00 55.95 56.25 3kvz s SER 94 Cb 0.04 0.39 0.03 0.00 0.10 0.00 0.00 66.02 66.58 3kvz s SER 94 CO 0.38 -0.61 0.00 -0.69 0.98 0.00 0.00 173.24 173.31 3kvz s VAL 95 N -2.25 0.36 -0.32 5.02 1.01 -1.26 -1.27 120.40 121.70 3kvz s VAL 95 Ca -0.07 0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 3kvz s VAL 95 Cb -0.02 -0.52 0.11 0.00 0.00 0.00 0.00 36.38 35.95 3kvz s VAL 95 CO -0.01 0.26 0.14 -1.61 0.00 0.00 0.00 175.10 173.88 3kvz s GLU 96 N 1.93 0.47 7.50 2.72 2.02 0.59 -4.98 118.70 128.95 3kvz s GLU 96 Ca 0.04 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.12 3kvz s GLU 96 Cb -0.12 -1.49 0.00 0.00 0.10 0.00 0.00 34.13 32.61 3kvz s GLU 96 CO -0.05 -1.05 0.00 0.41 0.02 0.00 0.00 175.26 174.59 3kvz n GLY 97 N 4.83 3.11 1.14 -1.39 0.00 -1.26 -1.65 105.19 109.97 3kvz n GLY 97 Ca -0.01 -0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.11 3kvz n GLY 97 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kvz n ARG 98 N 9.99 2.43 -3.77 1.61 0.00 -1.26 -4.93 116.66 120.73 3kvz n ARG 98 Ca 0.00 -2.22 -0.36 0.00 -0.00 0.00 0.00 57.85 55.26 3kvz n ARG 98 Cb 0.00 -1.48 -0.12 0.00 0.00 0.00 0.00 32.46 30.86 3kvz n ARG 98 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 3kvz s ARG 99 N -1.18 3.69 -0.05 -0.14 1.04 -0.66 -0.73 118.95 120.93 3kvz s ARG 99 Ca 0.41 -0.46 0.02 0.00 -1.04 0.00 0.00 55.73 54.66 3kvz s ARG 99 Cb 0.22 -3.33 -0.03 0.00 -2.04 0.00 0.00 34.95 29.76 3kvz s ARG 99 CO 0.28 -0.15 -0.08 -0.51 -0.04 0.00 0.00 175.30 174.80 3kvz s LEU 100 N 1.53 3.12 -0.11 -1.89 1.02 0.68 -0.30 118.68 122.74 3kvz s LEU 100 Ca 0.06 -0.08 0.01 0.00 0.02 0.00 0.00 54.13 54.15 3kvz s LEU 100 Cb -0.15 -1.71 0.02 0.00 0.02 0.00 0.00 46.19 44.37 3kvz s LEU 100 CO 0.04 0.34 -0.14 -0.55 0.02 0.00 0.00 176.35 176.06 3kvz s SER 101 N -0.98 2.32 -0.07 2.29 0.15 -0.40 -1.23 113.70 115.78 3kvz s SER 101 Ca 0.14 -0.40 0.02 0.00 0.70 0.00 0.00 55.95 56.41 3kvz s SER 101 Cb -0.11 -1.02 -0.02 0.00 -1.71 0.00 0.00 66.02 63.15 3kvz s SER 101 CO 0.03 -0.01 -0.12 0.26 1.20 0.00 0.00 173.24 174.61 3kvz s TRP 102 N 1.07 2.79 -0.16 3.44 0.52 0.22 0.50 118.94 127.31 3kvz s TRP 102 Ca -0.05 -0.20 -0.24 0.00 0.02 0.00 0.00 56.10 55.63 3kvz s TRP 102 Cb -0.15 -1.70 -0.02 0.00 -1.15 0.00 0.00 33.47 30.46 3kvz s TRP 102 CO -0.02 0.15 0.77 0.50 0.02 0.00 0.00 176.95 178.37 3kvz s ARG 103 N -0.52 4.29 0.02 4.98 3.52 0.15 -0.80 118.95 130.60 3kvz s ARG 103 Ca 0.07 0.92 0.05 0.00 -0.13 0.00 0.00 55.73 56.64 3kvz s ARG 103 Cb -0.12 -3.56 -0.03 0.00 -1.56 0.00 0.00 34.95 29.68 3kvz s ARG 103 CO 0.02 -0.26 -0.13 0.14 -0.81 0.00 0.00 175.30 174.26 3kvz s VAL 104 N 1.94 3.19 0.09 7.11 -7.23 -0.28 -0.25 120.40 124.98 3kvz s VAL 104 Ca 0.36 -0.99 -0.02 0.00 -1.81 0.00 0.00 61.98 59.53 3kvz s VAL 104 Cb -0.17 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 3kvz s VAL 104 CO 0.13 0.37 0.03 -0.94 -0.31 0.00 0.00 175.10 174.37 3kvz s SER 105 N -1.42 0.38 -0.08 4.85 1.04 -0.47 -0.93 113.70 117.07 3kvz s SER 105 Ca 0.16 -1.05 -0.15 0.00 0.48 0.00 0.00 55.95 55.39 3kvz s SER 105 Cb -0.11 0.26 0.03 0.00 0.10 0.00 0.00 66.02 66.30 3kvz s SER 105 CO 0.06 -0.67 0.36 0.00 0.98 0.00 0.00 173.24 173.97 3kvz s ALA 106 N -3.97 -0.89 0.03 5.32 0.00 0.19 -1.75 121.76 120.70 3kvz s ALA 106 Ca 0.14 0.71 -0.07 0.00 0.00 0.00 0.00 51.96 52.74 3kvz s ALA 106 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 3kvz s ALA 106 CO -0.05 -0.23 0.12 -3.38 0.00 0.00 0.00 175.76 172.23 3kvz s HIS 107 N -0.60 0.14 -0.97 0.00 -3.43 -0.93 -0.03 115.29 109.46 3kvz s HIS 107 Ca -0.07 -0.38 0.18 0.00 -0.80 0.00 0.00 55.06 53.99 3kvz s HIS 107 Cb -0.04 -0.10 0.74 0.00 -1.43 0.00 0.00 32.58 31.76 3kvz s HIS 107 CO 0.03 -0.36 1.66 -0.40 -2.00 0.00 0.00 174.74 173.66 3kvz n ASP 108 N 0.90 4.96 0.00 7.38 5.68 -0.61 -0.62 116.55 134.23 3kvz n ASP 108 Ca -0.20 -2.54 0.00 0.00 -0.50 0.00 0.00 54.79 51.55 3kvz n ASP 108 Cb 0.58 -0.60 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 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 1.03 2.16 0.58 6.12 0.00 -1.24 -3.89 105.19 109.96 3kvz n GLY 109 Ca 0.26 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.17 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 0.93 -4.34 1.61 0.31 -1.26 -5.07 118.33 108.51 3kvz n VAL 110 Ca 0.00 -0.05 -0.22 0.00 -0.01 0.00 0.00 64.34 64.05 3kvz n VAL 110 Cb 0.00 -1.77 -0.11 0.00 -0.91 0.00 0.00 33.84 31.05 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 -6.15 2.74 0.13 4.52 1.01 -1.26 -5.11 116.67 112.56 3kvz s ASP 111 Ca -0.18 -0.86 -0.31 0.00 0.71 0.00 0.00 52.55 51.92 3kvz s ASP 111 Cb 0.06 -0.17 -0.10 0.00 1.01 0.00 0.00 42.92 43.72 3kvz s ASP 111 CO 0.23 -0.02 1.69 -1.61 0.21 0.00 0.00 175.17 175.67 3kvz s GLU 112 N -2.76 4.17 -0.01 8.23 0.41 -1.26 -1.58 118.70 125.90 3kvz s GLU 112 Ca 0.16 2.45 0.15 0.00 -0.41 0.00 0.00 54.97 57.32 3kvz s GLU 112 Cb -0.06 -3.41 -0.22 0.00 -1.78 0.00 0.00 34.13 28.67 3kvz s GLU 112 CO 0.07 -0.73 0.44 0.44 -0.49 0.00 0.00 175.26 174.98 3kvz n ILE 113 N 4.43 0.00 0.00 -1.63 -5.35 0.95 -4.32 119.36 113.44 3kvz n ILE 113 Ca 0.16 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 3kvz n ILE 113 Cb 0.39 0.42 0.00 0.00 -1.74 0.00 0.00 39.64 38.70 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 1.53 0.72 3.61 3.28 0.00 -1.17 0.15 105.19 113.32 3kvz n GLY 114 Ca -0.01 -0.75 -0.02 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.14 0.00 1.61 1.04 -1.15 -0.63 113.70 114.43 3kvz s SER 115 Ca 0.00 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.33 3kvz s SER 115 Cb 0.00 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.34 3kvz s SER 115 CO 0.00 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.44 3kvz n GLY 116 N -0.31 -0.35 3.22 7.32 0.00 -0.11 -1.18 105.19 113.78 3kvz n GLY 116 Ca -0.05 -0.79 -0.15 0.00 0.00 0.00 0.00 46.02 45.03 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 -4.00 1.14 -0.01 2.61 -4.23 0.10 -1.12 115.64 110.13 3kvz s THR 117 Ca 0.00 -1.82 0.03 0.00 -1.18 0.00 0.00 61.69 58.72 3kvz s THR 117 Cb 0.00 -1.59 -0.01 0.00 1.34 0.00 0.00 72.50 72.24 3kvz s THR 117 CO 0.00 -0.59 -0.11 -2.28 -0.54 0.00 0.00 174.62 171.10 3kvz s HIS 118 N -2.69 0.97 0.01 3.99 5.04 0.02 -1.71 115.29 120.92 3kvz s HIS 118 Ca 0.11 -0.19 0.08 0.00 -1.54 0.00 0.00 55.06 53.52 3kvz s HIS 118 Cb -0.01 -0.63 -0.02 0.00 0.04 0.00 0.00 32.58 31.95 3kvz s HIS 118 CO 0.01 -0.03 -0.24 -1.21 -2.34 0.00 0.00 174.74 170.93 3kvz s GLU 119 N -0.20 1.81 0.09 2.88 2.02 0.16 -0.61 118.70 124.84 3kvz s GLU 119 Ca 0.03 -0.95 0.06 0.00 0.02 0.00 0.00 54.97 54.13 3kvz s GLU 119 Cb -0.05 -1.86 -0.03 0.00 0.10 0.00 0.00 34.13 32.29 3kvz s GLU 119 CO -0.00 0.50 -0.17 1.03 0.02 0.00 0.00 175.26 176.63 3kvz s ARG 120 N -0.88 0.96 -0.10 1.61 0.52 -0.37 -0.26 118.95 120.44 3kvz s ARG 120 Ca 0.10 -1.06 -0.00 0.00 -0.52 0.00 0.00 55.73 54.24 3kvz s ARG 120 Cb -0.09 -1.07 -0.03 0.00 0.52 0.00 0.00 34.95 34.28 3kvz s ARG 120 CO 0.00 0.24 -0.07 0.00 0.02 0.00 0.00 175.30 175.49 3kvz s ALA 121 N -1.29 2.93 -0.05 2.13 0.00 -0.35 -0.23 121.76 124.90 3kvz s ALA 121 Ca 0.02 -0.88 -0.30 0.00 0.00 0.00 0.00 51.96 50.81 3kvz s ALA 121 Cb -0.10 -1.30 -0.02 0.00 0.00 0.00 0.00 23.12 21.71 3kvz s ALA 121 CO 0.03 0.44 1.01 0.08 0.00 0.00 0.00 175.76 177.32 3kvz s VAL 122 N -0.37 4.78 0.27 0.00 1.01 0.09 -1.40 120.40 124.79 3kvz s VAL 122 Ca 0.05 2.02 0.10 0.00 0.00 0.00 0.00 61.98 64.15 3kvz s VAL 122 Cb -0.12 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 31.91 3kvz s VAL 122 CO 0.02 0.08 -0.07 0.27 0.00 0.00 0.00 175.10 175.41 3kvz s ILE 123 N 1.52 3.11 -0.41 2.22 -4.36 -0.32 -4.94 121.20 118.02 3kvz s ILE 123 Ca 0.51 -2.07 -0.29 0.00 -0.26 0.00 0.00 60.65 58.53 3kvz s ILE 123 Cb -0.20 -2.67 0.02 0.00 1.25 0.00 0.00 42.46 40.86 3kvz s ILE 123 CO 0.23 -0.38 1.18 -2.28 0.24 0.00 0.00 174.94 173.94 3kvz s HIS 124 N -2.39 2.83 0.09 1.37 2.46 -1.26 -1.66 115.29 116.72 3kvz s HIS 124 Ca 0.31 0.85 -0.24 0.00 0.47 0.00 0.00 55.06 56.45 3kvz s HIS 124 Cb -0.06 -4.17 -0.15 0.00 -0.13 0.00 0.00 32.58 28.07 3kvz s HIS 124 CO 0.18 -1.30 1.72 1.25 -2.47 0.00 0.00 174.74 174.13 3kvz h LEU 125 N 11.03 -0.08 -0.64 8.88 6.46 -1.47 -0.87 115.31 138.62 3kvz h LEU 125 Ca -0.23 -0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.38 3kvz h LEU 125 Cb 1.07 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 41.01 3kvz h LEU 125 CO 1.09 -0.05 -0.56 -0.33 -0.62 0.00 0.00 178.44 177.96 3kvz h GLU 126 N -0.11 0.35 -0.09 1.25 4.39 -1.93 0.29 114.58 118.74 3kvz h GLU 126 Ca -0.01 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.47 3kvz h GLU 126 Cb 0.08 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 3kvz h GLU 126 CO 0.02 0.82 0.05 -0.22 -1.16 0.00 0.00 179.01 178.51 3kvz h LYS 127 N 0.27 0.12 -0.21 2.33 3.64 -1.92 0.04 116.57 120.84 3kvz h LYS 127 Ca 0.00 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 3kvz h LYS 127 Cb 1.07 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.83 3kvz h LYS 127 CO 0.09 0.14 0.02 0.35 -2.27 0.00 0.00 179.45 177.78 3kvz h PHE 128 N 0.07 0.03 -0.93 1.91 3.57 -0.79 -2.31 116.94 118.49 3kvz h PHE 128 Ca 0.03 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.64 3kvz h PHE 128 Cb 0.05 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 38.74 3kvz h PHE 128 CO -0.05 -0.01 0.57 -0.91 -2.23 0.00 0.00 178.31 175.68 3kvz h ASN 129 N 0.09 0.86 -0.81 0.41 2.35 -0.30 0.12 115.58 118.30 3kvz h ASN 129 Ca 0.09 0.03 0.14 0.00 -0.55 0.00 0.00 56.30 56.02 3kvz h ASN 129 Cb 0.11 -0.14 -0.09 0.00 0.05 0.00 0.00 38.32 38.24 3kvz h ASN 129 CO -0.14 0.50 0.40 0.00 -1.65 0.00 0.00 177.43 176.54 3kvz h ALA 130 N 1.47 1.20 -0.34 -0.83 0.00 -0.63 -0.64 119.26 119.49 3kvz h ALA 130 Ca 0.43 0.09 -0.15 0.00 0.00 0.00 0.00 54.91 55.28 3kvz h ALA 130 Cb 0.33 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3kvz h ALA 130 CO -0.22 -0.12 -0.40 0.87 0.00 0.00 0.00 179.25 179.38 3kvz h LYS 131 N 0.58 0.83 0.00 0.00 1.57 -0.45 -2.04 116.57 117.06 3kvz h LYS 131 Ca 0.44 -0.44 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 3kvz h LYS 131 Cb 0.62 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 3kvz h LYS 131 CO -0.36 1.08 -0.83 -0.39 -0.57 0.00 0.00 179.45 178.38 3kvz h VAL 132 N 0.68 1.54 -0.90 0.50 -1.51 -1.22 -2.57 116.25 112.77 3kvz h VAL 132 Ca 0.05 -2.67 0.14 0.00 -1.23 0.00 0.00 66.70 62.99 3kvz h VAL 132 Cb 0.98 2.46 -0.07 0.00 -2.13 0.00 0.00 31.29 32.53 3kvz h VAL 132 CO 0.09 0.77 0.58 0.03 -1.23 0.00 0.00 177.57 177.81 3kvz h ARG 133 N 0.05 0.69 -0.07 5.19 3.08 -0.95 -0.61 114.38 121.75 3kvz h ARG 133 Ca -0.02 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.90 3kvz h ARG 133 Cb 1.45 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.33 3kvz h ARG 133 CO 0.12 0.46 -0.35 -0.56 -1.07 0.00 0.00 179.97 178.56 3kvz h GLN 134 N 0.72 0.14 -0.35 0.04 3.07 -0.95 -2.99 115.11 114.79 3kvz h GLN 134 Ca 0.46 -0.06 0.00 0.00 0.09 0.00 0.00 58.65 59.14 3kvz h GLN 134 Cb 0.71 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.27 3kvz h GLN 134 CO -0.22 0.48 0.00 0.36 0.09 0.00 0.00 178.83 179.55 3kvz n LYS 135 N -4.09 2.30 -1.99 0.06 2.85 -0.96 -4.92 118.16 111.42 3kvz n LYS 135 Ca -0.01 -2.11 -0.42 0.00 -1.05 0.00 0.00 58.31 54.71 3kvz n LYS 135 Cb 0.42 -1.43 -0.03 0.00 -0.65 0.00 0.00 35.03 33.34 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 -1.30 3.47 -2.00 0.58 2.01 -0.28 -5.09 115.64 113.03 3kvz s THR 136 Ca 0.33 0.65 0.13 0.00 0.31 0.00 0.00 61.69 63.11 3kvz s THR 136 Cb 0.19 -3.42 0.38 0.00 0.01 0.00 0.00 72.50 69.66 3kvz s THR 136 CO 0.27 -0.05 1.22 -0.81 -0.69 0.00 0.00 174.62 174.56