#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kbz n VAL 10 N 0.00 4.37 -3.88 2.12 3.14 -1.26 -5.03 118.33 117.79 3kbz n VAL 10 Ca 0.00 -0.50 -0.12 0.00 -2.96 0.00 0.00 64.34 60.76 3kbz n VAL 10 Cb 0.00 -1.32 -0.13 0.00 -1.06 0.00 0.00 33.84 31.33 3kbz n VAL 10 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 3kbz s ASN 11 N -1.32 0.02 0.33 6.55 3.84 -1.26 -5.08 114.94 118.01 3kbz s ASN 11 Ca 0.80 -0.04 0.09 0.00 0.21 0.00 0.00 52.86 53.92 3kbz s ASN 11 Cb -0.40 0.05 -0.05 0.00 -0.55 0.00 0.00 41.25 40.30 3kbz s ASN 11 CO 0.43 -0.06 -0.03 0.42 -2.79 0.00 0.00 177.10 175.07 3kbz s THR 12 N -0.23 2.62 0.21 -5.21 -4.23 -1.26 -1.28 115.64 106.25 3kbz s THR 12 Ca -0.03 -2.06 -0.10 0.00 -1.18 0.00 0.00 61.69 58.32 3kbz s THR 12 Cb -0.02 -2.71 0.15 0.00 1.34 0.00 0.00 72.50 71.26 3kbz s THR 12 CO -0.00 -0.24 1.86 0.25 -0.54 0.00 0.00 174.62 175.95 3kbz h LEU 13 N 1.91 0.79 0.13 4.79 5.85 -1.37 0.72 115.31 128.13 3kbz h LEU 13 Ca -0.42 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3kbz h LEU 13 Cb 1.25 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 3kbz h LEU 13 CO 0.66 0.56 -0.13 0.74 -0.34 0.00 0.00 178.44 179.93 3kbz h THR 14 N 0.94 0.71 -0.42 1.05 2.02 -1.96 0.12 112.91 115.37 3kbz h THR 14 Ca 0.28 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.45 3kbz h THR 14 Cb -0.05 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 3kbz h THR 14 CO -0.08 0.00 0.23 -0.09 0.37 0.00 0.00 175.52 175.95 3kbz h ARG 15 N -0.28 0.58 0.28 6.66 2.43 -1.88 -0.61 114.38 121.57 3kbz h ARG 15 Ca 0.00 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 3kbz h ARG 15 Cb 0.27 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3kbz h ARG 15 CO -0.04 0.46 -0.20 0.35 -1.51 0.00 0.00 179.97 179.04 3kbz h PHE 16 N 0.54 -0.51 -0.67 2.20 3.57 -0.69 -1.30 116.94 120.08 3kbz h PHE 16 Ca 0.15 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.69 3kbz h PHE 16 Cb 0.04 0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.92 3kbz h PHE 16 CO -0.03 -0.30 0.39 0.28 -2.23 0.00 0.00 178.31 176.43 3kbz h VAL 17 N -0.47 1.03 -0.71 1.41 2.07 -0.88 -1.17 116.25 117.52 3kbz h VAL 17 Ca -0.02 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 3kbz h VAL 17 Cb 0.41 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 3kbz h VAL 17 CO 0.01 0.14 0.27 -0.03 0.02 0.00 0.00 177.57 177.98 3kbz h MET 18 N 0.75 1.06 -0.14 1.57 1.85 -0.92 -1.42 114.93 117.68 3kbz h MET 18 Ca 0.29 -0.19 -0.07 0.00 -0.61 0.00 0.00 59.70 59.12 3kbz h MET 18 Cb 0.11 -0.17 -0.00 0.00 0.43 0.00 0.00 31.60 31.96 3kbz h MET 18 CO -0.15 0.87 -0.18 1.49 -0.40 0.00 0.00 176.91 178.54 3kbz h GLU 19 N 1.03 0.37 -0.46 0.39 4.57 -0.66 -1.52 114.58 118.31 3kbz h GLU 19 Ca 0.24 -0.21 -0.03 0.00 -1.18 0.00 0.00 59.36 58.18 3kbz h GLU 19 Cb 0.21 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 3kbz h GLU 19 CO -0.02 0.78 0.17 0.93 -1.18 0.00 0.00 179.01 179.69 3kbz h GLU 20 N -0.01 0.66 -0.53 1.92 4.39 -1.17 -1.51 114.58 118.32 3kbz h GLU 20 Ca 0.02 -0.09 -0.10 0.00 0.34 0.00 0.00 59.36 59.52 3kbz h GLU 20 Cb 0.73 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 3kbz h GLU 20 CO 0.04 0.55 -0.07 0.78 -1.16 0.00 0.00 179.01 179.16 3kbz h GLY 21 N 0.81 1.05 0.99 -3.84 0.00 -1.14 -2.12 103.07 98.80 3kbz h GLY 21 Ca 0.16 -0.80 -0.04 0.00 0.00 0.00 0.00 47.33 46.65 3kbz h GLY 21 CO -0.01 0.73 0.20 -0.09 0.00 0.00 0.00 176.54 177.37 3kbz h ARG 22 N 0.87 0.84 -0.42 4.80 2.43 -0.62 -2.69 114.38 119.60 3kbz h ARG 22 Ca 0.15 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 3kbz h ARG 22 Cb 0.61 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 3kbz h ARG 22 CO 0.04 0.74 0.11 0.87 -1.51 0.00 0.00 179.97 180.23 3kbz h LYS 23 N 0.76 0.61 0.00 0.20 1.57 -1.08 -2.22 116.57 116.40 3kbz h LYS 23 Ca 0.18 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3kbz h LYS 23 Cb 0.24 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3kbz h LYS 23 CO -0.01 0.55 0.00 0.00 -0.57 0.00 0.00 179.45 179.42 3kbz h ALA 24 N 1.53 1.00 -6.26 3.86 0.00 -1.05 -3.47 119.26 114.86 3kbz h ALA 24 Ca 0.14 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.59 3kbz h ALA 24 Cb 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3kbz h ALA 24 CO -0.01 0.00 -0.84 0.54 0.00 0.00 0.00 179.25 178.95 3kbz n ARG 25 N -2.80 -4.44 0.00 0.00 1.74 -0.84 -4.98 116.66 105.34 3kbz n ARG 25 Ca 0.01 0.54 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 3kbz n ARG 25 Cb 0.26 -5.02 0.00 0.00 -1.02 0.00 0.00 32.46 26.68 3kbz n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kbz n GLY 26 N -1.71 2.92 0.05 -0.13 0.00 -1.26 -5.02 105.19 100.03 3kbz n GLY 26 Ca -0.24 -1.84 0.12 0.00 0.00 0.00 0.00 46.02 44.05 3kbz n GLY 26 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kbz n THR 27 N 0.00 0.26 -0.45 2.61 -2.24 -1.26 -4.94 114.28 108.26 3kbz n THR 27 Ca 0.00 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3kbz n THR 27 Cb 0.00 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 3kbz n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kbz n GLY 28 N 1.38 0.73 0.20 3.38 0.00 -1.26 -4.97 105.19 104.64 3kbz n GLY 28 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 3kbz n GLY 28 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kbz h GLU 29 N 4.08 -0.34 -0.43 1.61 5.08 -1.97 -2.28 114.58 120.32 3kbz h GLU 29 Ca 0.00 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.45 3kbz h GLU 29 Cb 0.00 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3kbz h GLU 29 CO 0.00 -0.23 0.29 1.25 -1.00 0.00 0.00 179.01 179.32 3kbz h LEU 30 N -0.36 0.26 -0.18 1.33 5.85 -1.93 0.99 115.31 121.28 3kbz h LEU 30 Ca -0.01 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3kbz h LEU 30 Cb 0.32 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3kbz h LEU 30 CO -0.02 0.17 0.07 0.74 -0.34 0.00 0.00 178.44 179.06 3kbz h THR 31 N 0.30 1.16 -0.23 1.05 2.02 -1.80 -0.03 112.91 115.37 3kbz h THR 31 Ca 0.19 -0.47 -0.08 0.00 0.77 0.00 0.00 66.41 66.82 3kbz h THR 31 Cb 0.37 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 3kbz h THR 31 CO -0.04 0.15 -0.18 1.56 0.37 0.00 0.00 175.52 177.38 3kbz h GLN 32 N 0.14 0.41 -0.10 6.66 1.08 -0.56 -0.55 115.11 122.18 3kbz h GLN 32 Ca 0.06 -0.13 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 3kbz h GLN 32 Cb 0.17 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.56 3kbz h GLN 32 CO -0.01 0.58 -0.00 1.25 -0.95 0.00 0.00 178.83 179.71 3kbz h LEU 33 N 0.37 0.17 -0.82 1.46 6.46 -0.61 -1.65 115.31 120.71 3kbz h LEU 33 Ca 0.07 -0.31 -0.08 0.00 -0.12 0.00 0.00 57.88 57.43 3kbz h LEU 33 Cb 0.54 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.40 3kbz h LEU 33 CO 0.04 0.45 0.04 -0.07 -0.62 0.00 0.00 178.44 178.27 3kbz h LEU 34 N -0.10 0.89 -0.61 2.25 3.38 -0.81 -0.49 115.31 119.82 3kbz h LEU 34 Ca 0.03 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 3kbz h LEU 34 Cb 0.36 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3kbz h LEU 34 CO 0.01 0.93 0.20 0.78 0.09 0.00 0.00 178.44 180.45 3kbz h ASN 35 N 0.87 0.88 -0.62 -0.43 -0.26 -1.05 0.56 115.58 115.52 3kbz h ASN 35 Ca 0.17 -0.20 -0.09 0.00 -0.56 0.00 0.00 56.30 55.62 3kbz h ASN 35 Cb 0.45 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.46 3kbz h ASN 35 CO 0.02 0.84 0.02 0.28 -1.06 0.00 0.00 177.43 177.53 3kbz h SER 36 N 0.87 1.06 -0.50 5.81 0.02 -0.97 -1.60 113.55 118.23 3kbz h SER 36 Ca 0.20 -0.29 -0.04 0.00 -0.84 0.00 0.00 61.79 60.82 3kbz h SER 36 Cb 0.27 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 3kbz h SER 36 CO -0.01 1.09 0.16 0.25 -1.14 0.00 0.00 176.83 177.19 3kbz h LEU 37 N 1.00 0.73 -0.34 5.07 5.85 -0.76 -1.30 115.31 125.55 3kbz h LEU 37 Ca 0.18 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.73 3kbz h LEU 37 Cb 0.54 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 3kbz h LEU 37 CO 0.03 0.74 0.13 0.00 -0.34 0.00 0.00 178.44 178.99 3kbz h THR 39 N 0.28 1.22 -0.81 0.00 2.02 -1.03 -2.23 112.91 112.35 3kbz h THR 39 Ca 0.15 -0.58 -0.03 0.00 0.77 0.00 0.00 66.41 66.73 3kbz h THR 39 Cb 0.12 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 66.81 3kbz h THR 39 CO -0.15 0.25 0.39 0.00 0.37 0.00 0.00 175.52 176.38 3kbz h ALA 40 N 1.18 1.16 -0.61 6.16 0.00 -0.57 -2.24 119.26 124.34 3kbz h ALA 40 Ca 0.24 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3kbz h ALA 40 Cb 0.06 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3kbz h ALA 40 CO -0.04 0.64 0.18 0.28 0.00 0.00 0.00 179.25 180.31 3kbz h VAL 41 N 1.15 1.25 -0.42 0.00 2.07 -0.67 0.15 116.25 119.78 3kbz h VAL 41 Ca 0.28 -0.86 -0.06 0.00 0.82 0.00 0.00 66.70 66.89 3kbz h VAL 41 Cb 0.11 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 3kbz h VAL 41 CO -0.04 0.32 0.03 0.11 0.02 0.00 0.00 177.57 178.02 3kbz h LYS 42 N 0.88 0.66 -0.39 1.57 1.57 -1.16 0.14 116.57 119.83 3kbz h LYS 42 Ca 0.20 -0.15 -0.14 0.00 -1.87 0.00 0.00 60.65 58.69 3kbz h LYS 42 Cb 0.31 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3kbz h LYS 42 CO -0.00 0.66 -0.32 0.00 -0.57 0.00 0.00 179.45 179.22 3kbz h ALA 43 N 1.40 0.70 -0.30 3.86 0.00 -0.92 -1.25 119.26 122.76 3kbz h ALA 43 Ca 0.13 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 3kbz h ALA 43 Cb 0.35 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3kbz h ALA 43 CO 0.01 0.67 -0.10 0.82 0.00 0.00 0.00 179.25 180.65 3kbz h ILE 44 N 0.72 1.29 -0.41 0.00 2.04 -0.51 -2.35 117.51 118.28 3kbz h ILE 44 Ca 0.08 -1.16 0.04 0.00 1.00 0.00 0.00 64.86 64.82 3kbz h ILE 44 Cb 0.88 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 38.33 3kbz h ILE 44 CO 0.08 0.37 0.19 -1.28 0.00 0.00 0.00 178.15 177.51 3kbz h SER 45 N 0.36 0.26 -0.71 1.72 0.87 -0.61 0.20 113.55 115.64 3kbz h SER 45 Ca 0.07 0.03 0.06 0.00 -1.23 0.00 0.00 61.79 60.72 3kbz h SER 45 Cb 0.60 -0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 62.48 3kbz h SER 45 CO 0.03 0.19 0.41 -1.28 -0.53 0.00 0.00 176.83 175.66 3kbz h SER 46 N 0.38 0.63 -0.00 6.23 0.87 -1.12 -0.47 113.55 120.06 3kbz h SER 46 Ca 0.18 0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.62 3kbz h SER 46 Cb 0.11 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 3kbz h SER 46 CO -0.15 0.41 -0.49 0.00 -0.53 0.00 0.00 176.83 176.07 3kbz h ALA 47 N 1.36 0.76 -0.59 6.23 0.00 -0.81 -2.39 119.26 123.82 3kbz h ALA 47 Ca 0.32 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 3kbz h ALA 47 Cb 0.17 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3kbz h ALA 47 CO -0.17 0.67 0.01 0.28 0.00 0.00 0.00 179.25 180.03 3kbz h VAL 48 N 0.44 1.26 0.00 0.00 2.07 -0.00 -1.44 116.25 118.58 3kbz h VAL 48 Ca 0.02 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.42 3kbz h VAL 48 Cb 1.01 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 3kbz h VAL 48 CO 0.09 0.41 0.00 0.54 0.02 0.00 0.00 177.57 178.63 3kbz n ARG 49 N -4.19 0.76 -2.73 1.57 3.00 -0.24 -4.87 116.66 109.95 3kbz n ARG 49 Ca 0.03 0.00 -0.15 0.00 -0.01 0.00 0.00 57.85 57.72 3kbz n ARG 49 Cb 0.34 -1.17 0.02 0.00 0.00 0.00 0.00 32.46 31.65 3kbz n ARG 49 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3kbz n LYS 50 N -0.67 -3.13 -1.74 5.56 4.76 -0.54 -4.98 118.16 117.42 3kbz n LYS 50 Ca 0.06 0.61 -0.42 0.00 -2.87 0.00 0.00 58.31 55.69 3kbz n LYS 50 Cb 0.03 -4.83 -0.02 0.00 -1.84 0.00 0.00 35.03 28.37 3kbz n LYS 50 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kbz n ALA 51 N -2.88 2.57 -0.97 7.82 0.00 -0.91 -1.97 120.51 124.16 3kbz n ALA 51 Ca -0.08 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3kbz n ALA 51 Cb 0.58 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.56 3kbz n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kbz n GLY 52 N 2.58 0.47 0.32 0.00 0.00 -1.26 -4.88 105.19 102.43 3kbz n GLY 52 Ca 0.10 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.32 3kbz n GLY 52 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kbz h ILE 53 N 0.00 0.23 -0.37 -0.61 2.10 -1.80 -1.18 117.51 115.89 3kbz h ILE 53 Ca 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.94 3kbz h ILE 53 Cb 0.18 0.99 -0.02 0.00 -1.09 0.00 0.00 36.82 36.88 3kbz h ILE 53 CO 0.00 0.00 0.22 0.00 -1.08 0.00 0.00 178.15 177.29 3kbz h ALA 54 N 1.98 1.69 0.00 0.18 0.00 -1.90 -1.22 119.26 119.99 3kbz h ALA 54 Ca 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 3kbz h ALA 54 Cb 0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3kbz h ALA 54 CO -0.00 0.27 -0.52 0.45 0.00 0.00 0.00 179.25 179.45 3kbz h HIS 55 N 0.50 0.00 0.00 0.00 3.86 -1.62 -2.16 115.15 115.74 3kbz h HIS 55 Ca 0.13 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.30 3kbz h HIS 55 Cb -0.01 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 3kbz h HIS 55 CO 0.00 0.52 -0.20 -0.07 0.86 0.00 0.00 177.93 179.04 3kbz h LEU 56 N 0.00 0.00 -3.26 2.43 3.38 -1.30 -2.97 115.31 113.59 3kbz h LEU 56 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3kbz h LEU 56 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3kbz h LEU 56 CO 0.07 0.20 0.00 -1.22 0.09 0.00 0.00 178.44 177.58 3kbz n TYR 57 N -3.41 1.67 -0.71 1.13 4.02 -0.86 -4.96 117.16 114.03 3kbz n TYR 57 Ca -0.00 -0.64 0.00 0.00 -0.01 0.00 0.00 57.90 57.25 3kbz n TYR 57 Cb 0.39 -0.32 0.00 0.00 -0.02 0.00 0.00 39.34 39.40 3kbz n TYR 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kbz n GLY 58 N 1.03 0.56 0.33 2.72 0.00 -1.12 -4.96 105.19 103.76 3kbz n GLY 58 Ca 0.27 -0.76 0.12 0.00 0.00 0.00 0.00 46.02 45.65 3kbz n GLY 58 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kbz h ILE 59 N 0.00 0.91 -0.50 -0.61 2.10 -1.64 0.11 117.51 117.89 3kbz h ILE 59 Ca 0.00 -0.08 0.00 0.00 1.08 0.00 0.00 64.86 65.86 3kbz h ILE 59 Cb 0.00 0.64 0.00 0.00 -1.09 0.00 0.00 36.82 36.37 3kbz h ILE 59 CO 0.00 0.04 0.00 0.00 -1.08 0.00 0.00 178.15 177.11 3kbz n ALA 60 N -2.55 3.26 -0.47 0.18 0.00 -1.26 -5.08 120.51 114.59 3kbz n ALA 60 Ca 0.06 -1.87 0.00 0.00 0.00 0.00 0.00 53.44 51.64 3kbz n ALA 60 Cb 0.33 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3kbz n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kbz n GLY 61 N 0.47 0.75 0.00 0.00 0.00 0.02 -5.21 105.19 101.23 3kbz n GLY 61 Ca 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3kbz n GLY 61 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kbz n LYS 71 N -2.47 0.00 -4.31 1.61 2.85 -1.26 -4.74 118.16 109.84 3kbz n LYS 71 Ca 0.00 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.07 3kbz n LYS 71 Cb 0.00 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.25 3kbz n LYS 71 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 3kbz s LYS 72 N 0.00 0.83 0.24 -1.58 2.20 -1.26 -5.04 119.74 115.13 3kbz s LYS 72 Ca 0.00 -0.67 -0.06 0.00 -0.36 0.00 0.00 55.97 54.88 3kbz s LYS 72 Cb 0.00 -0.80 0.29 0.00 -1.51 0.00 0.00 37.83 35.81 3kbz s LYS 72 CO 0.00 0.20 1.87 1.25 -0.36 0.00 0.00 175.35 178.31 3kbz h LEU 73 N 5.08 0.88 -0.55 5.43 5.85 -1.99 0.11 115.31 130.12 3kbz h LEU 73 Ca -0.36 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.36 3kbz h LEU 73 Cb 1.18 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 3kbz h LEU 73 CO 0.45 0.59 0.35 0.44 -0.34 0.00 0.00 178.44 179.93 3kbz h ASP 74 N 1.03 0.65 -0.37 1.25 3.45 -1.94 0.13 116.42 120.62 3kbz h ASP 74 Ca 0.35 -0.04 -0.15 0.00 0.43 0.00 0.00 57.03 57.63 3kbz h ASP 74 Cb 0.07 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.67 3kbz h ASP 74 CO -0.14 0.49 -0.34 0.58 -1.57 0.00 0.00 179.24 178.26 3kbz h VAL 75 N 0.75 1.28 -0.44 -1.35 2.07 -1.86 -1.22 116.25 115.49 3kbz h VAL 75 Ca 0.20 -1.51 -0.03 0.00 0.82 0.00 0.00 66.70 66.18 3kbz h VAL 75 Cb -0.05 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3kbz h VAL 75 CO -0.04 0.50 0.17 0.25 0.02 0.00 0.00 177.57 178.47 3kbz h LEU 76 N 0.69 0.61 -0.66 2.57 5.85 -0.74 -0.12 115.31 123.52 3kbz h LEU 76 Ca 0.06 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.63 3kbz h LEU 76 Cb 0.93 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 3kbz h LEU 76 CO 0.09 0.62 0.41 0.28 -0.34 0.00 0.00 178.44 179.50 3kbz h SER 77 N 0.56 0.68 -0.62 1.25 0.02 -0.67 0.34 113.55 115.11 3kbz h SER 77 Ca 0.14 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 3kbz h SER 77 Cb 0.21 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 3kbz h SER 77 CO -0.01 0.48 0.24 -1.13 -1.14 0.00 0.00 176.83 175.27 3kbz h ASN 78 N 0.82 0.87 -0.50 3.07 -1.24 -0.88 -2.03 115.58 115.69 3kbz h ASN 78 Ca 0.26 -0.18 -0.02 0.00 0.71 0.00 0.00 56.30 57.07 3kbz h ASN 78 Cb -0.00 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 38.80 3kbz h ASN 78 CO -0.09 0.81 0.22 0.44 -1.29 0.00 0.00 177.43 177.52 3kbz h ASP 79 N 0.88 0.68 0.15 1.15 3.32 -0.33 -0.74 116.42 121.52 3kbz h ASP 79 Ca 0.21 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.11 3kbz h ASP 79 Cb 0.22 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3kbz h ASP 79 CO -0.01 0.64 -0.17 -0.07 -1.72 0.00 0.00 179.24 177.91 3kbz h LEU 80 N 0.67 -0.47 -0.01 1.55 3.38 -0.66 0.78 115.31 120.55 3kbz h LEU 80 Ca 0.17 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 3kbz h LEU 80 Cb 0.16 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3kbz h LEU 80 CO -0.02 -0.26 0.00 0.58 0.09 0.00 0.00 178.44 178.84 3kbz h VAL 81 N -0.36 1.06 -0.10 1.22 2.07 -1.31 -1.07 116.25 117.75 3kbz h VAL 81 Ca 0.01 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.40 3kbz h VAL 81 Cb 0.36 1.16 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 3kbz h VAL 81 CO -0.06 0.05 -0.27 0.24 0.02 0.00 0.00 177.57 177.54 3kbz h MET 82 N -0.06 -0.34 -0.54 1.57 2.86 -0.98 -0.10 114.93 117.34 3kbz h MET 82 Ca 0.00 0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 3kbz h MET 82 Cb 0.07 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 3kbz h MET 82 CO -0.00 -0.23 0.20 -0.91 1.06 0.00 0.00 176.91 177.03 3kbz h ASN 83 N -0.36 0.76 -0.50 1.22 2.35 -0.79 -0.75 115.58 117.52 3kbz h ASN 83 Ca 0.09 -0.18 -0.06 0.00 -0.55 0.00 0.00 56.30 55.60 3kbz h ASN 83 Cb 0.49 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 3kbz h ASN 83 CO -0.30 0.74 0.07 0.24 -1.65 0.00 0.00 177.43 176.53 3kbz h MET 84 N 0.74 0.84 -0.26 0.81 2.86 -0.99 -1.38 114.93 117.55 3kbz h MET 84 Ca 0.18 -0.23 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 3kbz h MET 84 Cb 0.23 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 3kbz h MET 84 CO -0.01 0.84 -0.00 -0.07 1.06 0.00 0.00 176.91 178.72 3kbz h LEU 85 N 0.72 0.45 -0.09 1.22 3.38 -0.90 -2.31 115.31 117.78 3kbz h LEU 85 Ca 0.15 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3kbz h LEU 85 Cb 0.41 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3kbz h LEU 85 CO 0.01 0.66 0.06 0.11 0.09 0.00 0.00 178.44 179.37 3kbz h LYS 86 N 0.24 0.12 0.00 1.13 1.57 -1.09 -2.17 116.57 116.36 3kbz h LYS 86 Ca 0.07 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3kbz h LYS 86 Cb 0.43 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3kbz h LYS 86 CO 0.01 0.08 0.00 -1.13 -0.57 0.00 0.00 179.45 177.84 3kbz n SER 87 N -5.03 0.00 0.13 0.86 3.41 -0.52 -2.30 113.62 110.17 3kbz n SER 87 Ca -0.05 -0.08 0.12 0.00 -0.26 0.00 0.00 58.87 58.60 3kbz n SER 87 Cb 0.03 -0.20 0.28 0.00 -0.26 0.00 0.00 64.21 64.06 3kbz n SER 87 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3kbz h SER 88 N 0.00 0.00 -0.51 4.04 4.64 -0.80 -3.47 113.55 117.45 3kbz h SER 88 Ca 0.00 -0.03 -0.22 0.00 -0.47 0.00 0.00 61.79 61.07 3kbz h SER 88 Cb 0.09 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.10 3kbz h SER 88 CO 0.00 0.01 -0.20 0.49 -0.87 0.00 0.00 176.83 176.27 3kbz n PHE 89 N -2.53 0.00 0.58 4.77 3.01 -0.97 -4.78 117.46 117.54 3kbz n PHE 89 Ca 0.04 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.57 3kbz n PHE 89 Cb 0.47 -2.43 0.04 0.00 -0.01 0.00 0.00 39.48 37.54 3kbz n PHE 89 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kbz n ALA 90 N 1.20 2.68 -2.48 4.37 0.00 -1.26 -3.39 120.51 121.63 3kbz n ALA 90 Ca -0.11 -0.56 -0.24 0.00 0.00 0.00 0.00 53.44 52.54 3kbz n ALA 90 Cb 0.50 -0.46 -0.10 0.00 0.00 0.00 0.00 19.45 19.38 3kbz n ALA 90 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3kbz s THR 91 N -1.34 2.06 0.00 0.00 -4.23 -1.26 -1.36 115.64 109.51 3kbz s THR 91 Ca 0.14 -2.22 0.00 0.00 -1.18 0.00 0.00 61.69 58.43 3kbz s THR 91 Cb 0.11 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.48 3kbz s THR 91 CO 0.23 -0.30 0.00 0.00 -0.54 0.00 0.00 174.62 174.01 3kbz s VAL 93 N -1.17 0.62 -0.13 0.00 1.01 -1.25 -1.54 120.40 117.94 3kbz s VAL 93 Ca 0.00 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.83 3kbz s VAL 93 Cb 0.00 -0.64 0.02 0.00 0.00 0.00 0.00 36.38 35.76 3kbz s VAL 93 CO 0.00 0.25 -0.16 -0.76 0.00 0.00 0.00 175.10 174.43 3kbz s LEU 94 N 0.94 1.76 -0.20 3.92 1.43 0.14 -1.74 118.68 124.94 3kbz s LEU 94 Ca -0.11 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 52.49 3kbz s LEU 94 Cb -0.14 -1.18 -0.01 0.00 0.03 0.00 0.00 46.19 44.89 3kbz s LEU 94 CO 0.00 -0.01 -0.08 -0.69 0.23 0.00 0.00 176.35 175.80 3kbz s VAL 95 N 1.20 3.15 0.07 -1.59 1.01 0.04 0.01 120.40 124.29 3kbz s VAL 95 Ca -0.01 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.46 3kbz s VAL 95 Cb -0.14 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 3kbz s VAL 95 CO -0.06 0.46 -0.21 -0.55 0.00 0.00 0.00 175.10 174.74 3kbz s SER 96 N 1.22 2.48 0.60 3.32 0.15 -1.26 -0.47 113.70 119.74 3kbz s SER 96 Ca 0.02 -0.60 0.40 0.00 0.70 0.00 0.00 55.95 56.47 3kbz s SER 96 Cb -0.14 -0.17 2.05 0.00 -1.71 0.00 0.00 66.02 66.04 3kbz s SER 96 CO -0.03 0.11 2.21 -0.08 1.20 0.00 0.00 173.24 176.65 3kbz h GLU 97 N 4.48 0.00 0.00 5.44 4.22 -1.81 -2.00 114.58 124.92 3kbz h GLU 97 Ca -0.44 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.00 3kbz h GLU 97 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3kbz h GLU 97 CO 0.42 0.00 -0.79 0.39 -2.18 0.00 0.00 179.01 176.85 3kbz n GLU 98 N -2.99 0.31 -4.86 1.92 -0.58 -1.26 -4.90 120.64 108.28 3kbz n GLU 98 Ca -0.02 0.06 -0.33 0.00 -0.42 0.00 0.00 57.16 56.45 3kbz n GLU 98 Cb 0.13 -1.66 -0.14 0.00 -0.57 0.00 0.00 31.44 29.20 3kbz n GLU 98 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3kbz s ASP 99 N -4.21 3.99 0.14 1.62 1.01 -0.75 -5.03 116.67 113.45 3kbz s ASP 99 Ca 0.05 -0.26 -0.15 0.00 0.71 0.00 0.00 52.55 52.90 3kbz s ASP 99 Cb 0.13 -1.14 0.00 0.00 1.01 0.00 0.00 42.92 42.92 3kbz s ASP 99 CO 0.75 0.27 1.65 0.50 0.21 0.00 0.00 175.17 178.55 3kbz h LYS 100 N 5.89 0.69 -6.30 8.23 3.64 -1.90 -3.42 116.57 123.40 3kbz h LYS 100 Ca -0.38 -0.16 -0.60 0.00 -1.27 0.00 0.00 60.65 58.25 3kbz h LYS 100 Cb 1.18 -0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 32.80 3kbz h LYS 100 CO 0.52 0.68 -0.63 -1.01 -2.27 0.00 0.00 179.45 176.74 3kbz s HIS 101 N -5.35 2.94 0.30 1.91 3.76 -1.26 -4.98 115.29 112.61 3kbz s HIS 101 Ca -0.13 -0.10 -0.29 0.00 -0.15 0.00 0.00 55.06 54.39 3kbz s HIS 101 Cb 0.11 -1.43 -0.10 0.00 1.11 0.00 0.00 32.58 32.27 3kbz s HIS 101 CO 0.77 0.52 1.38 0.00 -0.85 0.00 0.00 174.74 176.56 3kbz s ALA 102 N -1.71 3.56 0.01 -1.40 0.00 -1.26 -4.81 121.76 116.15 3kbz s ALA 102 Ca 0.28 1.32 -0.22 0.00 0.00 0.00 0.00 51.96 53.34 3kbz s ALA 102 Cb -0.10 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.45 3kbz s ALA 102 CO 0.20 -0.72 0.65 0.42 0.00 0.00 0.00 175.76 176.31 3kbz s ILE 103 N -0.64 4.85 -0.24 0.00 -1.09 0.10 -4.90 121.20 119.28 3kbz s ILE 103 Ca 0.54 1.37 -0.07 0.00 -2.23 0.00 0.00 60.65 60.26 3kbz s ILE 103 Cb -0.41 -3.99 -0.02 0.00 -1.58 0.00 0.00 42.46 36.45 3kbz s ILE 103 CO 0.50 0.40 0.05 -0.63 -1.23 0.00 0.00 174.94 174.02 3kbz s ILE 104 N -0.15 4.14 0.31 2.92 -1.09 -1.26 -0.68 121.20 125.39 3kbz s ILE 104 Ca 0.33 -0.23 -0.29 0.00 -2.23 0.00 0.00 60.65 58.23 3kbz s ILE 104 Cb -0.19 -2.93 -0.10 0.00 -1.58 0.00 0.00 42.46 37.66 3kbz s ILE 104 CO 0.19 0.36 1.29 -0.69 -1.23 0.00 0.00 174.94 174.86 3kbz s VAL 105 N 1.58 2.84 0.52 2.92 1.01 -0.59 -4.96 120.40 123.72 3kbz s VAL 105 Ca 0.06 0.83 -0.22 0.00 0.00 0.00 0.00 61.98 62.64 3kbz s VAL 105 Cb -0.15 -3.53 -0.06 0.00 0.00 0.00 0.00 36.38 32.64 3kbz s VAL 105 CO 0.02 0.19 1.29 -0.62 0.00 0.00 0.00 175.10 175.99 3kbz n GLU 106 N 1.06 1.69 -0.31 2.72 -0.58 -1.26 -4.78 120.64 119.19 3kbz n GLU 106 Ca 0.01 0.62 0.09 0.00 -0.42 0.00 0.00 57.16 57.45 3kbz n GLU 106 Cb 0.42 -2.48 0.21 0.00 -0.57 0.00 0.00 31.44 29.02 3kbz n GLU 106 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3kbz h PRO 107 N 1.53 0.05 0.00 3.49 0.11 -1.99 -1.40 132.00 133.80 3kbz h PRO 107 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3kbz h PRO 107 Cb 1.31 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3kbz h PRO 107 CO 0.57 0.03 0.00 0.39 -0.21 0.00 0.00 178.00 178.78 3kbz n GLU 108 N -5.45 0.21 -0.03 1.05 1.02 -1.26 -2.64 120.64 113.55 3kbz n GLU 108 Ca 0.18 0.14 0.01 0.00 -0.02 0.00 0.00 57.16 57.47 3kbz n GLU 108 Cb 0.59 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.52 3kbz n GLU 108 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3kbz n LYS 109 N -1.24 1.71 -2.38 3.49 5.02 -0.54 -5.04 118.16 119.19 3kbz n LYS 109 Ca 0.06 -1.22 -0.41 0.00 -2.02 0.00 0.00 58.31 54.72 3kbz n LYS 109 Cb 0.09 -0.85 -0.03 0.00 -0.02 0.00 0.00 35.03 34.22 3kbz n LYS 109 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3kbz s ARG 110 N -0.76 4.47 0.36 1.97 0.52 -1.08 -3.91 118.95 120.52 3kbz s ARG 110 Ca 0.02 1.85 0.00 0.00 -0.52 0.00 0.00 55.73 57.09 3kbz s ARG 110 Cb 0.02 -3.27 -0.00 0.00 0.52 0.00 0.00 34.95 32.22 3kbz s ARG 110 CO 0.00 -0.14 0.00 0.41 0.02 0.00 0.00 175.30 175.60 3kbz n GLY 111 N 2.50 3.74 0.61 -3.53 0.00 0.25 -4.75 105.19 104.02 3kbz n GLY 111 Ca 0.06 -2.31 0.11 0.00 0.00 0.00 0.00 46.02 43.88 3kbz n GLY 111 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kbz n LYS 112 N -0.88 1.81 -4.02 1.61 2.85 -1.11 -3.43 118.16 114.99 3kbz n LYS 112 Ca -0.14 -1.21 -0.30 0.00 -1.05 0.00 0.00 58.31 55.60 3kbz n LYS 112 Cb 0.45 -1.43 -0.06 0.00 -0.65 0.00 0.00 35.03 33.35 3kbz n LYS 112 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3kbz s TYR 113 N -1.82 3.28 -0.11 5.58 2.02 -0.47 -0.66 117.35 125.18 3kbz s TYR 113 Ca 0.34 0.11 0.02 0.00 -0.37 0.00 0.00 57.07 57.17 3kbz s TYR 113 Cb 0.19 -1.64 -0.01 0.00 -0.40 0.00 0.00 41.96 40.09 3kbz s TYR 113 CO 0.28 0.54 -0.17 0.08 -1.57 0.00 0.00 175.55 174.71 3kbz s VAL 114 N -1.48 2.68 -0.09 0.71 1.01 0.11 -1.14 120.40 122.20 3kbz s VAL 114 Ca 0.31 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.51 3kbz s VAL 114 Cb -0.12 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.19 3kbz s VAL 114 CO 0.24 0.55 -0.17 -0.69 0.00 0.00 0.00 175.10 175.03 3kbz s VAL 115 N 0.18 1.53 -0.13 2.92 1.01 -0.71 -0.21 120.40 124.99 3kbz s VAL 115 Ca -0.10 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 3kbz s VAL 115 Cb -0.16 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 3kbz s VAL 115 CO 0.06 0.44 -0.11 0.00 0.00 0.00 0.00 175.10 175.49 3kbz s PHE 117 N 0.30 -0.22 -0.34 0.00 -0.71 0.38 -0.29 117.98 117.10 3kbz s PHE 117 Ca -0.09 -0.08 0.03 0.00 -1.04 0.00 0.00 56.93 55.74 3kbz s PHE 117 Cb -0.15 0.31 0.10 0.00 -1.21 0.00 0.00 43.02 42.06 3kbz s PHE 117 CO 0.05 -0.75 0.06 0.34 -1.34 0.00 0.00 175.22 173.58 3kbz s ASP 118 N -2.81 4.82 0.27 1.98 -1.08 0.88 -2.05 116.67 118.68 3kbz s ASP 118 Ca 0.04 -2.06 -0.01 0.00 -0.52 0.00 0.00 52.55 50.00 3kbz s ASP 118 Cb 0.01 -1.66 0.57 0.00 -1.46 0.00 0.00 42.92 40.39 3kbz s ASP 118 CO -0.11 -0.39 1.72 1.55 0.52 0.00 0.00 175.17 178.47 3kbz h PRO 119 N 7.70 0.45 -2.02 4.34 0.13 -1.87 -1.45 132.00 139.28 3kbz h PRO 119 Ca -0.07 -0.03 -0.47 0.00 -0.87 0.00 0.00 66.00 64.56 3kbz h PRO 119 Cb 1.03 -0.10 -0.32 0.00 0.13 0.00 0.00 31.00 31.73 3kbz h PRO 119 CO 0.54 0.30 -0.84 -1.17 -0.23 0.00 0.00 178.00 176.60 3kbz s LEU 120 N -10.45 0.61 0.12 1.56 2.96 -1.24 -4.23 118.68 108.01 3kbz s LEU 120 Ca -0.12 -2.61 -0.31 0.00 -0.22 0.00 0.00 54.13 50.87 3kbz s LEU 120 Cb 0.23 0.18 -0.09 0.00 0.50 0.00 0.00 46.19 47.01 3kbz s LEU 120 CO 0.77 -0.16 1.54 -0.62 -1.32 0.00 0.00 176.35 176.57 3kbz s ASP 121 N 0.40 6.66 0.00 3.68 -1.08 0.53 -2.49 116.67 124.36 3kbz s ASP 121 Ca 0.30 2.50 0.00 0.00 -0.52 0.00 0.00 52.55 54.83 3kbz s ASP 121 Cb 0.00 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.88 3kbz s ASP 121 CO -0.14 -0.79 0.00 0.61 0.52 0.00 0.00 175.17 175.36 3kbz n GLY 122 N 3.74 0.66 0.00 2.66 0.00 -1.26 -1.84 105.19 109.15 3kbz n GLY 122 Ca 0.14 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.15 3kbz n GLY 122 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kbz n SER 123 N 0.10 0.00 0.12 1.61 3.41 -1.04 -2.82 113.62 115.00 3kbz n SER 123 Ca 0.00 -0.94 0.02 0.00 -0.26 0.00 0.00 58.87 57.69 3kbz n SER 123 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3kbz n SER 123 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 3kbz h SER 124 N 0.00 0.00 -0.21 4.04 0.87 -1.92 -3.29 113.55 113.04 3kbz h SER 124 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3kbz h SER 124 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3kbz h SER 124 CO 0.00 0.53 0.00 0.59 -0.53 0.00 0.00 176.83 177.42 3kbz n ASN 125 N -3.18 2.52 0.24 6.23 3.02 -1.13 -4.69 115.26 118.28 3kbz n ASN 125 Ca 0.00 -1.77 0.07 0.00 -0.03 0.00 0.00 54.58 52.85 3kbz n ASN 125 Cb 0.76 -0.13 0.17 0.00 -0.61 0.00 0.00 39.78 39.96 3kbz n ASN 125 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3kbz h ILE 126 N 2.20 0.01 0.00 2.41 -0.00 -1.64 0.30 117.51 120.79 3kbz h ILE 126 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 64.85 3kbz h ILE 126 Cb 0.63 0.08 -0.00 0.00 -0.00 0.00 0.00 36.82 37.53 3kbz h ILE 126 CO 0.00 0.00 -0.06 0.44 -0.00 0.00 0.00 178.15 178.53 3kbz h ASP 127 N 0.00 0.00 -0.74 2.19 3.32 -1.87 -1.24 116.42 118.08 3kbz h ASP 127 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3kbz h ASP 127 Cb 2.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.55 3kbz h ASP 127 CO -0.00 0.06 0.00 0.00 -1.72 0.00 0.00 179.24 177.58 3kbz n LEU 129 N 1.63 -1.63 -4.75 0.00 4.77 -0.47 -4.97 117.00 111.57 3kbz n LEU 129 Ca 0.25 0.18 -0.35 0.00 -0.03 0.00 0.00 56.01 56.06 3kbz n LEU 129 Cb 0.64 -2.63 0.04 0.00 -2.33 0.00 0.00 43.42 39.14 3kbz n LEU 129 CO 0.17 -0.51 0.81 0.54 -1.33 0.00 0.00 177.39 177.07 3kbz s VAL 130 N -2.82 2.74 0.43 4.08 0.11 -1.26 -4.93 120.40 118.75 3kbz s VAL 130 Ca 0.00 0.43 -0.25 0.00 -2.93 0.00 0.00 61.98 59.24 3kbz s VAL 130 Cb 0.00 -3.11 -0.10 0.00 -1.53 0.00 0.00 36.38 31.64 3kbz s VAL 130 CO 0.00 -0.13 1.13 -1.20 -3.33 0.00 0.00 175.10 171.57 3kbz n SER 131 N -1.81 1.85 -4.31 3.54 7.64 -1.26 -4.79 113.62 114.47 3kbz n SER 131 Ca 0.13 1.06 -0.16 0.00 1.01 0.00 0.00 58.87 60.91 3kbz n SER 131 Cb 0.50 -1.42 -0.10 0.00 -1.01 0.00 0.00 64.21 62.18 3kbz n SER 131 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3kbz s VAL 132 N -1.25 0.58 0.34 0.44 -7.23 -1.22 -4.78 120.40 107.28 3kbz s VAL 132 Ca 0.63 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.63 3kbz s VAL 132 Cb -0.53 -2.58 0.06 0.00 0.56 0.00 0.00 36.38 33.89 3kbz s VAL 132 CO 0.57 -0.06 0.83 -0.83 -0.31 0.00 0.00 175.10 175.30 3kbz s GLY 133 N -3.30 0.27 -0.12 2.32 0.00 -0.76 -0.43 107.32 105.31 3kbz s GLY 133 Ca 0.36 -0.62 0.03 0.00 0.00 0.00 0.00 44.72 44.49 3kbz s GLY 133 CO 0.12 0.17 -0.20 -1.59 0.00 0.00 0.00 173.10 171.60 3kbz s THR 134 N -2.45 1.86 -0.04 0.90 2.01 -0.17 0.20 115.64 117.95 3kbz s THR 134 Ca 0.16 -0.88 0.04 0.00 0.31 0.00 0.00 61.69 61.32 3kbz s THR 134 Cb -0.05 -1.65 -0.03 0.00 0.01 0.00 0.00 72.50 70.79 3kbz s THR 134 CO 0.10 0.51 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.77 3kbz s ILE 135 N 0.71 3.09 0.02 1.82 1.01 -0.54 -0.34 121.20 126.96 3kbz s ILE 135 Ca -0.11 -0.76 -0.11 0.00 0.00 0.00 0.00 60.65 59.67 3kbz s ILE 135 Cb -0.16 -2.22 0.01 0.00 0.01 0.00 0.00 42.46 40.10 3kbz s ILE 135 CO 0.02 0.56 0.24 0.72 0.00 0.00 0.00 174.94 176.47 3kbz s PHE 136 N -0.76 -0.04 -0.02 3.97 -0.71 -0.64 -0.08 117.98 119.69 3kbz s PHE 136 Ca 0.12 -0.04 0.00 0.00 -1.04 0.00 0.00 56.93 55.97 3kbz s PHE 136 Cb -0.11 0.03 0.02 0.00 -1.21 0.00 0.00 43.02 41.75 3kbz s PHE 136 CO 0.01 -0.40 0.02 0.20 -1.34 0.00 0.00 175.22 173.71 3kbz s GLY 137 N -1.72 0.09 -0.14 1.99 0.00 0.61 -1.93 107.32 106.22 3kbz s GLY 137 Ca -0.10 0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.88 3kbz s GLY 137 CO -0.00 0.57 -0.14 -0.42 0.00 0.00 0.00 173.10 173.11 3kbz s ILE 138 N 0.89 2.83 0.22 0.90 1.01 0.70 -1.13 121.20 126.63 3kbz s ILE 138 Ca -0.07 -0.73 0.10 0.00 0.00 0.00 0.00 60.65 59.95 3kbz s ILE 138 Cb -0.11 -2.19 -0.05 0.00 0.01 0.00 0.00 42.46 40.13 3kbz s ILE 138 CO -0.02 0.52 -0.19 -0.31 0.00 0.00 0.00 174.94 174.93 3kbz s TYR 139 N 0.59 2.09 -0.17 3.97 2.02 0.71 -0.86 117.35 125.69 3kbz s TYR 139 Ca -0.09 -0.41 -0.12 0.00 -0.37 0.00 0.00 57.07 56.08 3kbz s TYR 139 Cb -0.16 -0.97 -0.05 0.00 -0.40 0.00 0.00 41.96 40.39 3kbz s TYR 139 CO 0.03 0.52 0.24 0.50 -1.57 0.00 0.00 175.55 175.27 3kbz s ARG 140 N -3.21 4.21 0.02 -0.62 3.52 -1.26 0.06 118.95 121.67 3kbz s ARG 140 Ca 0.24 -0.01 -0.31 0.00 -0.13 0.00 0.00 55.73 55.51 3kbz s ARG 140 Cb -0.05 -3.42 -0.10 0.00 -1.56 0.00 0.00 34.95 29.83 3kbz s ARG 140 CO 0.11 0.28 1.94 1.17 -0.81 0.00 0.00 175.30 177.98 3kbz n LYS 141 N 3.50 2.70 0.11 5.12 4.81 0.16 -4.85 118.16 129.70 3kbz n LYS 141 Ca -0.13 0.99 0.12 0.00 -0.87 0.00 0.00 58.31 58.41 3kbz n LYS 141 Cb 0.52 -2.91 0.15 0.00 0.02 0.00 0.00 35.03 32.81 3kbz n LYS 141 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3kbz h LYS 142 N 10.00 0.00 -6.19 1.64 1.79 -1.89 -3.47 116.57 118.44 3kbz h LYS 142 Ca -0.49 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.38 3kbz h LYS 142 Cb 1.25 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.77 3kbz h LYS 142 CO 0.94 0.00 -0.73 0.45 -1.08 0.00 0.00 179.45 179.03 3kbz s SER 143 N -4.93 3.79 0.00 0.86 0.15 -1.26 -5.03 113.70 107.28 3kbz s SER 143 Ca 0.05 -0.97 0.26 0.00 0.70 0.00 0.00 55.95 55.99 3kbz s SER 143 Cb 0.11 -0.41 0.70 0.00 -1.71 0.00 0.00 66.02 64.70 3kbz s SER 143 CO 0.72 0.02 1.53 1.07 1.20 0.00 0.00 173.24 177.77 3kbz n THR 144 N -0.69 0.00 -1.40 6.45 5.66 -1.26 -4.95 114.28 118.10 3kbz n THR 144 Ca -0.05 -0.16 -0.35 0.00 -3.05 0.00 0.00 64.05 60.44 3kbz n THR 144 Cb 0.60 0.52 0.10 0.00 -1.55 0.00 0.00 70.33 69.99 3kbz n THR 144 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3kbz n ASP 145 N -0.47 1.35 -4.60 1.09 9.92 -1.26 -4.86 116.55 117.72 3kbz n ASP 145 Ca 0.13 0.70 -0.48 0.00 -0.53 0.00 0.00 54.79 54.60 3kbz n ASP 145 Cb 0.37 -1.51 -0.04 0.00 -0.64 0.00 0.00 41.12 39.30 3kbz n ASP 145 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3kbz n GLU 146 N -2.48 1.33 -1.66 -1.24 -0.58 -1.26 -4.79 120.64 109.96 3kbz n GLU 146 Ca 0.14 0.47 -0.46 0.00 -0.42 0.00 0.00 57.16 56.90 3kbz n GLU 146 Cb 0.49 -2.01 -0.03 0.00 -0.57 0.00 0.00 31.44 29.32 3kbz n GLU 146 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3kbz n PRO 147 N 1.86 1.96 -4.02 3.49 -0.04 -1.26 -4.98 135.00 132.02 3kbz n PRO 147 Ca 0.15 0.70 -0.14 0.00 -0.04 0.00 0.00 63.50 64.17 3kbz n PRO 147 Cb 0.25 -2.37 -0.02 0.00 -0.04 0.00 0.00 33.50 31.32 3kbz n PRO 147 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3kbz s SER 148 N 0.42 0.77 0.57 3.54 1.04 -1.26 -5.01 113.70 113.76 3kbz s SER 148 Ca 0.72 -1.44 0.25 0.00 0.48 0.00 0.00 55.95 55.96 3kbz s SER 148 Cb -0.68 0.72 1.60 0.00 0.10 0.00 0.00 66.02 67.76 3kbz s SER 148 CO 0.47 -1.42 2.17 1.05 0.98 0.00 0.00 173.24 176.49 3kbz h GLU 149 N 2.06 0.00 -0.23 4.02 4.11 -1.93 -1.94 114.58 120.67 3kbz h GLU 149 Ca -0.29 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.20 3kbz h GLU 149 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 3kbz h GLU 149 CO 0.39 0.00 0.17 0.87 0.07 0.00 0.00 179.01 180.51 3kbz h LYS 150 N 0.00 0.02 0.00 1.06 1.57 -1.96 -1.61 116.57 115.65 3kbz h LYS 150 Ca 0.04 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3kbz h LYS 150 Cb 0.19 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3kbz h LYS 150 CO -0.00 0.01 0.00 -0.25 -0.57 0.00 0.00 179.45 178.64 3kbz n ASP 151 N -4.47 0.63 -1.06 0.86 8.00 -0.73 -1.84 116.55 117.94 3kbz n ASP 151 Ca 0.03 0.68 0.12 0.00 0.71 0.00 0.00 54.79 56.32 3kbz n ASP 151 Cb 0.31 -0.80 0.19 0.00 -0.02 0.00 0.00 41.12 40.79 3kbz n ASP 151 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kbz n ALA 152 N -1.77 2.44 -1.91 2.24 0.00 -0.60 -4.51 120.51 116.40 3kbz n ALA 152 Ca 0.01 -0.86 -0.36 0.00 0.00 0.00 0.00 53.44 52.24 3kbz n ALA 152 Cb 0.19 -0.87 -0.01 0.00 0.00 0.00 0.00 19.45 18.76 3kbz n ALA 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kbz n LEU 153 N 1.38 7.25 -4.60 0.00 4.77 -0.77 -4.94 117.00 120.09 3kbz n LEU 153 Ca 0.17 -4.67 -0.31 0.00 -0.03 0.00 0.00 56.01 51.17 3kbz n LEU 153 Cb 0.59 -1.21 -0.10 0.00 -2.33 0.00 0.00 43.42 40.37 3kbz n LEU 153 CO 0.16 1.87 -0.39 -1.10 -1.33 0.00 0.00 177.39 176.60 3kbz s GLN 154 N -2.60 2.38 0.43 3.23 -0.21 -1.26 -4.61 119.66 117.02 3kbz s GLN 154 Ca 0.53 -0.87 -0.24 0.00 0.02 0.00 0.00 55.36 54.80 3kbz s GLN 154 Cb 0.32 -2.43 -0.08 0.00 1.00 0.00 0.00 33.01 31.82 3kbz s GLN 154 CO -0.22 0.55 1.21 -1.25 -2.12 0.00 0.00 175.29 173.46 3kbz s PRO 155 N -1.90 3.88 0.54 2.91 0.04 -1.26 -4.70 135.00 134.51 3kbz s PRO 155 Ca 0.20 1.92 0.22 0.00 0.04 0.00 0.00 61.00 63.38 3kbz s PRO 155 Cb -0.11 -2.58 1.21 0.00 0.04 0.00 0.00 34.50 33.06 3kbz s PRO 155 CO 0.12 -0.49 1.64 0.78 0.04 0.00 0.00 177.00 179.09 3kbz h GLY 156 N 2.38 0.00 2.00 0.56 0.00 -1.68 0.33 103.07 106.66 3kbz h GLY 156 Ca -0.49 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 3kbz h GLY 156 CO 0.61 0.00 -0.04 -0.09 0.00 0.00 0.00 176.54 177.02 3kbz h ARG 157 N 0.00 0.00 -0.00 4.80 9.65 -1.27 -1.86 114.38 125.69 3kbz h ARG 157 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3kbz h ARG 157 Cb 0.70 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.28 3kbz h ARG 157 CO 0.00 0.04 -0.08 0.09 2.80 0.00 0.00 179.97 182.82 3kbz n ASN 158 N -3.72 0.55 -4.63 -3.80 3.02 0.11 -4.94 115.26 101.83 3kbz n ASN 158 Ca -0.03 -0.76 -0.45 0.00 -0.03 0.00 0.00 54.58 53.31 3kbz n ASN 158 Cb 0.13 -0.05 -0.02 0.00 -0.61 0.00 0.00 39.78 39.23 3kbz n ASN 158 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3kbz n LEU 159 N -0.81 2.47 -0.04 3.41 4.77 -0.70 -4.66 117.00 121.44 3kbz n LEU 159 Ca 0.16 1.17 0.02 0.00 -0.03 0.00 0.00 56.01 57.34 3kbz n LEU 159 Cb 0.26 -1.36 -0.16 0.00 -2.33 0.00 0.00 43.42 39.84 3kbz n LEU 159 CO 0.22 -0.95 -0.86 1.33 -1.33 0.00 0.00 177.39 175.80 3kbz n VAL 160 N 0.88 0.64 -3.58 4.08 0.24 -0.04 -4.99 118.33 115.55 3kbz n VAL 160 Ca 0.10 -0.65 -0.09 0.00 -2.04 0.00 0.00 64.34 61.65 3kbz n VAL 160 Cb 0.32 -0.24 -0.05 0.00 -1.47 0.00 0.00 33.84 32.40 3kbz n VAL 160 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kbz s ALA 161 N -3.08 -1.95 0.17 2.33 0.00 -1.20 -4.49 121.76 113.54 3kbz s ALA 161 Ca -0.08 1.57 -0.24 0.00 0.00 0.00 0.00 51.96 53.21 3kbz s ALA 161 Cb 0.10 -0.67 0.06 0.00 0.00 0.00 0.00 23.12 22.61 3kbz s ALA 161 CO 0.87 -0.35 0.76 0.00 0.00 0.00 0.00 175.76 177.04 3kbz s ALA 162 N -1.32 -1.52 0.00 0.00 0.00 -0.52 -0.21 121.76 118.19 3kbz s ALA 162 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.20 3kbz s ALA 162 Cb -0.01 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.86 3kbz s ALA 162 CO -0.00 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.26 3kbz n GLY 163 N -0.40 -0.71 3.68 0.00 0.00 -0.81 0.31 105.19 107.26 3kbz n GLY 163 Ca -0.09 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.89 3kbz n GLY 163 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kbz s TYR 164 N -3.00 -0.32 -0.09 1.61 1.13 -0.42 -1.62 117.35 114.63 3kbz s TYR 164 Ca 0.00 -0.03 0.04 0.00 -1.41 0.00 0.00 57.07 55.67 3kbz s TYR 164 Cb 0.00 0.65 0.00 0.00 -1.10 0.00 0.00 41.96 41.51 3kbz s TYR 164 CO 0.00 -1.05 -0.22 0.00 -2.51 0.00 0.00 175.55 171.76 3kbz s ALA 165 N -3.80 2.05 -0.22 9.51 0.00 0.53 -0.21 121.76 129.63 3kbz s ALA 165 Ca 0.07 -0.90 -0.06 0.00 0.00 0.00 0.00 51.96 51.07 3kbz s ALA 165 Cb -0.04 -0.77 -0.03 0.00 0.00 0.00 0.00 23.12 22.28 3kbz s ALA 165 CO -0.01 0.27 0.03 -1.17 0.00 0.00 0.00 175.76 174.88 3kbz s LEU 166 N 0.37 3.38 -1.05 0.00 2.96 0.10 -1.00 118.68 123.45 3kbz s LEU 166 Ca -0.18 -0.17 -0.05 0.00 -0.22 0.00 0.00 54.13 53.51 3kbz s LEU 166 Cb -0.18 -1.88 0.29 0.00 0.50 0.00 0.00 46.19 44.93 3kbz s LEU 166 CO 0.08 0.04 1.27 -1.22 -1.32 0.00 0.00 176.35 175.21 3kbz n TYR 167 N 4.41 3.38 0.00 5.38 4.01 0.43 -1.53 117.16 133.24 3kbz n TYR 167 Ca -0.17 -3.20 0.00 0.00 -0.16 0.00 0.00 57.90 54.38 3kbz n TYR 167 Cb 0.52 -1.33 0.00 0.00 -0.31 0.00 0.00 39.34 38.22 3kbz n TYR 167 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kbz n GLY 168 N 1.75 1.97 0.38 2.72 0.00 -1.26 -3.46 105.19 107.29 3kbz n GLY 168 Ca 0.25 -0.77 0.14 0.00 0.00 0.00 0.00 46.02 45.65 3kbz n GLY 168 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kbz h SER 169 N 0.00 0.60 -5.48 1.61 4.64 -1.99 -3.42 113.55 109.52 3kbz h SER 169 Ca 0.00 0.05 -0.20 0.00 -0.47 0.00 0.00 61.79 61.17 3kbz h SER 169 Cb 0.00 -0.07 -0.15 0.00 -0.31 0.00 0.00 62.40 61.87 3kbz h SER 169 CO 0.00 0.28 -0.62 0.00 -0.87 0.00 0.00 176.83 175.62 3kbz s ALA 170 N -5.63 0.92 -0.20 5.18 0.00 -1.26 -5.14 121.76 115.63 3kbz s ALA 170 Ca -0.10 -1.52 -0.13 0.00 0.00 0.00 0.00 51.96 50.21 3kbz s ALA 170 Cb 0.22 1.05 -0.04 0.00 0.00 0.00 0.00 23.12 24.35 3kbz s ALA 170 CO 0.79 -0.53 0.29 0.99 0.00 0.00 0.00 175.76 177.29 3kbz s THR 171 N -4.08 5.29 0.02 0.00 2.01 -1.26 -4.50 115.64 113.11 3kbz s THR 171 Ca 0.29 0.49 0.03 0.00 0.31 0.00 0.00 61.69 62.82 3kbz s THR 171 Cb 0.07 -3.62 -0.01 0.00 0.01 0.00 0.00 72.50 68.94 3kbz s THR 171 CO 0.05 0.33 -0.10 -0.32 -0.69 0.00 0.00 174.62 173.89 3kbz s MET 172 N 0.93 0.75 -0.21 4.92 -2.45 -0.58 -0.74 119.30 121.91 3kbz s MET 172 Ca 0.15 -0.52 -0.02 0.00 -1.25 0.00 0.00 55.69 54.04 3kbz s MET 172 Cb -0.14 -0.71 0.00 0.00 1.25 0.00 0.00 34.83 35.24 3kbz s MET 172 CO 0.05 0.18 -0.09 -1.17 1.05 0.00 0.00 175.02 175.04 3kbz s LEU 173 N -0.71 2.71 -0.28 4.11 1.98 0.42 0.02 118.68 126.93 3kbz s LEU 173 Ca 0.01 -0.51 -0.09 0.00 -2.89 0.00 0.00 54.13 50.64 3kbz s LEU 173 Cb -0.06 -1.66 -0.03 0.00 0.66 0.00 0.00 46.19 45.10 3kbz s LEU 173 CO 0.00 -0.03 0.13 -0.69 -1.89 0.00 0.00 176.35 173.88 3kbz s VAL 174 N 1.41 4.76 -0.17 1.68 1.01 0.71 -0.83 120.40 128.97 3kbz s VAL 174 Ca 0.05 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.94 3kbz s VAL 174 Cb -0.14 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 32.96 3kbz s VAL 174 CO -0.06 0.24 -0.18 -0.22 0.00 0.00 0.00 175.10 174.88 3kbz s LEU 175 N 1.67 2.30 -0.08 3.92 2.96 -0.46 -1.30 118.68 127.69 3kbz s LEU 175 Ca 0.06 -0.56 0.02 0.00 -0.22 0.00 0.00 54.13 53.44 3kbz s LEU 175 Cb -0.16 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 44.99 3kbz s LEU 175 CO 0.07 0.04 -0.15 0.00 -1.32 0.00 0.00 176.35 175.00 3kbz s ALA 176 N 1.05 2.61 0.26 5.97 0.00 0.15 -1.33 121.76 130.46 3kbz s ALA 176 Ca -0.01 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.00 3kbz s ALA 176 Cb -0.14 -1.03 -0.00 0.00 0.00 0.00 0.00 23.12 21.94 3kbz s ALA 176 CO -0.05 0.43 0.32 -1.33 0.00 0.00 0.00 175.76 175.13 3kbz n MET 177 N 2.80 0.47 -0.26 0.00 2.81 -0.47 -1.43 117.12 121.03 3kbz n MET 177 Ca -0.18 -2.19 0.10 0.00 -1.81 0.00 0.00 57.70 53.63 3kbz n MET 177 Cb 0.52 2.02 0.36 0.00 -0.71 0.00 0.00 33.22 35.41 3kbz n MET 177 CO 0.00 0.00 0.00 0.22 1.51 0.00 0.00 175.97 177.70 3kbz h ASP 178 N 1.48 0.68 0.25 7.83 3.58 -1.95 -0.10 116.42 128.21 3kbz h ASP 178 Ca -0.19 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.29 3kbz h ASP 178 Cb 0.89 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.83 3kbz h ASP 178 CO 0.27 0.37 0.00 0.00 -2.88 0.00 0.00 179.24 177.00 3kbz n GLY 180 N 0.21 0.39 3.41 0.00 0.00 -0.05 -4.92 105.19 104.23 3kbz n GLY 180 Ca 0.10 -2.27 -0.34 0.00 0.00 0.00 0.00 46.02 43.51 3kbz n GLY 180 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kbz s VAL 181 N -0.19 3.50 -0.03 1.61 1.01 -1.26 -1.37 120.40 123.68 3kbz s VAL 181 Ca 0.00 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.54 3kbz s VAL 181 Cb 0.00 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 3kbz s VAL 181 CO 0.00 0.48 -0.16 0.20 0.00 0.00 0.00 175.10 175.62 3kbz s ASN 182 N 0.66 1.98 -0.18 3.32 -0.87 -0.44 -0.60 114.94 118.80 3kbz s ASN 182 Ca -0.04 -0.31 -0.04 0.00 -1.57 0.00 0.00 52.86 50.90 3kbz s ASN 182 Cb -0.15 -0.38 -0.02 0.00 -0.02 0.00 0.00 41.25 40.68 3kbz s ASN 182 CO 0.02 0.17 -0.02 0.00 -2.57 0.00 0.00 177.10 174.70 3kbz s PHE 184 N 0.77 2.70 -0.19 0.00 0.40 -0.01 -1.40 117.98 120.25 3kbz s PHE 184 Ca -0.01 -0.59 -0.10 0.00 -0.60 0.00 0.00 56.93 55.63 3kbz s PHE 184 Cb -0.14 -1.74 -0.05 0.00 0.51 0.00 0.00 43.02 41.59 3kbz s PHE 184 CO 0.02 -0.15 0.13 1.41 0.70 0.00 0.00 175.22 177.34 3kbz s MET 185 N 0.03 4.13 -0.23 0.44 1.75 0.20 -0.44 119.30 125.18 3kbz s MET 185 Ca -0.06 -0.21 -0.29 0.00 -1.25 0.00 0.00 55.69 53.89 3kbz s MET 185 Cb -0.15 -3.40 0.01 0.00 2.84 0.00 0.00 34.83 34.13 3kbz s MET 185 CO 0.05 0.34 1.02 -1.17 -0.65 0.00 0.00 175.02 174.60 3kbz s LEU 186 N 0.24 4.10 -0.53 4.11 0.20 0.08 0.49 118.68 127.37 3kbz s LEU 186 Ca 0.09 1.34 -0.20 0.00 0.69 0.00 0.00 54.13 56.05 3kbz s LEU 186 Cb -0.11 -3.50 0.06 0.00 -0.43 0.00 0.00 46.19 42.21 3kbz s LEU 186 CO -0.01 -0.65 0.69 -0.62 -0.29 0.00 0.00 176.35 175.46 3kbz s ASP 187 N 1.22 6.23 0.58 3.68 -1.08 0.35 -4.66 116.67 122.99 3kbz s ASP 187 Ca 0.43 -0.92 0.27 0.00 -0.52 0.00 0.00 52.55 51.81 3kbz s ASP 187 Cb -0.15 -2.32 1.65 0.00 -1.46 0.00 0.00 42.92 40.65 3kbz s ASP 187 CO 0.06 -0.99 2.16 -0.65 0.52 0.00 0.00 175.17 176.28 3kbz h PRO 188 N 9.08 0.00 -0.12 4.34 0.11 -1.94 0.39 132.00 143.86 3kbz h PRO 188 Ca -0.28 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.77 3kbz h PRO 188 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3kbz h PRO 188 CO 1.01 0.00 -0.21 0.00 -0.21 0.00 0.00 178.00 178.59 3kbz h ALA 189 N 1.89 1.43 0.00 -0.75 0.00 -1.97 -3.28 119.26 116.58 3kbz h ALA 189 Ca 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3kbz h ALA 189 Cb 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3kbz h ALA 189 CO -0.00 0.40 0.00 0.44 0.00 0.00 0.00 179.25 180.09 3kbz n ILE 190 N -4.21 0.44 -3.68 0.00 -5.35 -1.00 -5.02 119.36 100.54 3kbz n ILE 190 Ca -0.01 -0.55 -0.24 0.00 -0.27 0.00 0.00 62.75 61.69 3kbz n ILE 190 Cb 0.32 0.90 0.03 0.00 -1.74 0.00 0.00 39.64 39.15 3kbz n ILE 190 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kbz n GLY 191 N -0.22 -0.56 2.92 3.28 0.00 0.09 -5.00 105.19 105.71 3kbz n GLY 191 Ca 0.00 0.26 -0.17 0.00 0.00 0.00 0.00 46.02 46.12 3kbz n GLY 191 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kbz s GLU 192 N -5.87 0.46 -0.42 1.61 2.56 -1.14 -4.97 118.70 110.92 3kbz s GLU 192 Ca 0.17 -0.12 -0.23 0.00 0.00 0.00 0.00 54.97 54.79 3kbz s GLU 192 Cb -0.05 -0.48 0.02 0.00 2.00 0.00 0.00 34.13 35.62 3kbz s GLU 192 CO 0.83 0.03 0.77 -0.06 -0.56 0.00 0.00 175.26 176.27 3kbz s PHE 193 N 0.26 3.03 -0.14 5.30 0.08 -1.26 -0.49 117.98 124.76 3kbz s PHE 193 Ca -0.03 0.26 -0.15 0.00 0.12 0.00 0.00 56.93 57.13 3kbz s PHE 193 Cb -0.06 -3.56 -0.04 0.00 -0.57 0.00 0.00 43.02 38.79 3kbz s PHE 193 CO -0.00 -0.90 0.36 0.42 -0.10 0.00 0.00 175.22 175.00 3kbz s ILE 194 N 3.19 5.26 -0.16 0.64 -1.09 0.18 -0.86 121.20 128.36 3kbz s ILE 194 Ca 0.30 0.70 -0.29 0.00 -2.23 0.00 0.00 60.65 59.13 3kbz s ILE 194 Cb -0.13 -3.70 -0.03 0.00 -1.58 0.00 0.00 42.46 37.03 3kbz s ILE 194 CO 0.21 0.37 1.47 -0.22 -1.23 0.00 0.00 174.94 175.54 3kbz s LEU 195 N 0.48 4.11 -0.00 2.97 2.96 -0.41 0.61 118.68 129.41 3kbz s LEU 195 Ca 0.20 1.77 0.01 0.00 -0.22 0.00 0.00 54.13 55.89 3kbz s LEU 195 Cb -0.14 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.01 3kbz s LEU 195 CO 0.06 -0.97 0.03 1.33 -1.32 0.00 0.00 176.35 175.48 3kbz n VAL 196 N 5.77 0.00 -3.49 1.68 0.24 -0.49 -4.74 118.33 117.30 3kbz n VAL 196 Ca 0.16 -0.44 -0.19 0.00 -2.04 0.00 0.00 64.34 61.83 3kbz n VAL 196 Cb 0.45 0.95 -0.13 0.00 -1.47 0.00 0.00 33.84 33.64 3kbz n VAL 196 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3kbz s ASP 197 N -1.17 1.64 0.00 -1.34 1.01 -1.11 -5.02 116.67 110.69 3kbz s ASP 197 Ca 0.00 -0.41 -0.11 0.00 0.71 0.00 0.00 52.55 52.74 3kbz s ASP 197 Cb 0.01 0.31 -0.05 0.00 1.01 0.00 0.00 42.92 44.19 3kbz s ASP 197 CO 0.03 -0.35 0.35 -0.54 0.21 0.00 0.00 175.17 174.87 3kbz s LYS 198 N 2.30 3.76 -1.14 8.23 1.02 -1.26 -1.21 119.74 131.45 3kbz s LYS 198 Ca 0.07 0.21 -0.28 0.00 0.02 0.00 0.00 55.97 55.99 3kbz s LYS 198 Cb -0.15 -3.14 0.04 0.00 -0.52 0.00 0.00 37.83 34.05 3kbz s LYS 198 CO -0.17 0.67 0.66 -3.47 -0.92 0.00 0.00 175.35 172.12 3kbz n ASP 199 N 1.53 -4.25 -4.77 2.83 2.03 -1.01 -4.86 116.55 108.05 3kbz n ASP 199 Ca -0.13 -1.25 -0.40 0.00 0.52 0.00 0.00 54.79 53.53 3kbz n ASP 199 Cb 0.53 -1.60 -0.03 0.00 -0.72 0.00 0.00 41.12 39.30 3kbz n ASP 199 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3kbz s VAL 200 N -3.41 3.05 -0.05 5.18 1.01 0.23 -4.87 120.40 121.54 3kbz s VAL 200 Ca 0.39 1.02 0.03 0.00 0.00 0.00 0.00 61.98 63.42 3kbz s VAL 200 Cb -0.22 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.53 3kbz s VAL 200 CO 0.96 0.22 -0.12 -0.54 0.00 0.00 0.00 175.10 175.62 3kbz s LYS 201 N -1.78 1.43 0.49 2.72 -0.14 -1.26 -4.48 119.74 116.72 3kbz s LYS 201 Ca 0.49 -0.41 -0.20 0.00 -1.36 0.00 0.00 55.97 54.49 3kbz s LYS 201 Cb -0.35 -1.24 -0.08 0.00 -1.68 0.00 0.00 37.83 34.47 3kbz s LYS 201 CO 0.46 0.10 1.04 -1.50 -0.76 0.00 0.00 175.35 174.70 3kbz s ILE 202 N 0.37 3.78 0.50 2.17 2.07 -0.11 -4.99 121.20 124.98 3kbz s ILE 202 Ca -0.08 1.09 -0.23 0.00 -1.41 0.00 0.00 60.65 60.02 3kbz s ILE 202 Cb -0.12 -3.44 -0.07 0.00 0.13 0.00 0.00 42.46 38.96 3kbz s ILE 202 CO 0.02 -0.25 1.33 1.17 -1.91 0.00 0.00 174.94 175.30 3kbz n LYS 203 N -1.03 1.82 -0.35 3.50 4.81 -1.26 -4.89 118.16 120.75 3kbz n LYS 203 Ca 0.09 0.66 -0.03 0.00 -0.87 0.00 0.00 58.31 58.17 3kbz n LYS 203 Cb 0.52 -2.52 0.11 0.00 0.02 0.00 0.00 35.03 33.16 3kbz n LYS 203 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 3kbz h LYS 204 N 1.70 1.29 -3.18 1.64 3.64 -1.94 -3.40 116.57 116.31 3kbz h LYS 204 Ca -0.50 -0.10 -0.19 0.00 -1.27 0.00 0.00 60.65 58.59 3kbz h LYS 204 Cb 1.30 -0.28 -0.27 0.00 -0.41 0.00 0.00 32.23 32.57 3kbz h LYS 204 CO 0.58 0.88 -0.49 0.21 -2.27 0.00 0.00 179.45 178.37 3kbz s LYS 205 N -6.00 0.22 0.14 1.90 2.20 -1.26 -2.11 119.74 114.83 3kbz s LYS 205 Ca -0.13 0.36 0.01 0.00 -0.36 0.00 0.00 55.97 55.86 3kbz s LYS 205 Cb 0.18 0.03 0.01 0.00 -1.51 0.00 0.00 37.83 36.54 3kbz s LYS 205 CO 0.82 -0.08 0.11 0.41 -0.36 0.00 0.00 175.35 176.26 3kbz n GLY 206 N 3.41 2.90 0.59 5.54 0.00 -1.26 -4.73 105.19 111.64 3kbz n GLY 206 Ca -0.17 -2.20 0.04 0.00 0.00 0.00 0.00 46.02 43.69 3kbz n GLY 206 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kbz n LYS 207 N -0.87 0.56 -4.11 1.61 5.02 -1.26 -4.73 118.16 114.37 3kbz n LYS 207 Ca -0.00 -1.93 -0.17 0.00 -2.02 0.00 0.00 58.31 54.19 3kbz n LYS 207 Cb 0.16 -0.82 -0.15 0.00 -0.02 0.00 0.00 35.03 34.19 3kbz n LYS 207 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kbz s ILE 208 N -1.21 0.39 -0.01 -0.18 1.01 -1.26 -0.03 121.20 119.91 3kbz s ILE 208 Ca 0.20 -0.12 0.07 0.00 0.00 0.00 0.00 60.65 60.81 3kbz s ILE 208 Cb 0.20 -0.39 -0.02 0.00 0.01 0.00 0.00 42.46 42.25 3kbz s ILE 208 CO -0.03 0.15 -0.23 -0.72 0.00 0.00 0.00 174.94 174.11 3kbz s TYR 209 N 0.46 2.41 -0.08 3.97 -0.85 -0.52 -1.51 117.35 121.23 3kbz s TYR 209 Ca -0.05 -0.37 -0.00 0.00 -0.52 0.00 0.00 57.07 56.12 3kbz s TYR 209 Cb -0.09 -1.51 0.03 0.00 0.38 0.00 0.00 41.96 40.77 3kbz s TYR 209 CO -0.00 0.05 -0.04 0.45 -1.52 0.00 0.00 175.55 174.49 3kbz s SER 210 N -0.78 1.69 -0.19 -0.18 0.15 -0.27 -2.51 113.70 111.61 3kbz s SER 210 Ca 0.11 -0.17 -0.35 0.00 0.70 0.00 0.00 55.95 56.24 3kbz s SER 210 Cb -0.10 -0.59 0.14 0.00 -1.71 0.00 0.00 66.02 63.76 3kbz s SER 210 CO 0.00 -0.14 1.20 -1.48 1.20 0.00 0.00 173.24 174.03 3kbz s LEU 211 N 1.66 -0.14 -0.68 3.45 2.34 -1.26 -0.62 118.68 123.43 3kbz s LEU 211 Ca 0.02 0.01 -0.27 0.00 0.06 0.00 0.00 54.13 53.94 3kbz s LEU 211 Cb -0.13 1.39 0.03 0.00 -0.56 0.00 0.00 46.19 46.93 3kbz s LEU 211 CO -0.05 -0.24 1.22 0.21 -1.06 0.00 0.00 176.35 176.44 3kbz s ASN 212 N -2.15 6.26 0.00 1.48 3.04 -1.26 -4.82 114.94 117.48 3kbz s ASN 212 Ca 0.09 -0.30 0.25 0.00 0.04 0.00 0.00 52.86 52.94 3kbz s ASN 212 Cb -0.01 -2.54 1.40 0.00 -1.54 0.00 0.00 41.25 38.55 3kbz s ASN 212 CO -0.05 -1.68 1.85 -0.62 -3.04 0.00 0.00 177.10 173.56 3kbz n GLU 213 N 8.92 0.61 0.16 0.43 1.02 -1.26 -2.85 120.64 127.67 3kbz n GLU 213 Ca 0.04 0.02 0.13 0.00 -0.02 0.00 0.00 57.16 57.34 3kbz n GLU 213 Cb 0.49 -1.50 0.56 0.00 -0.02 0.00 0.00 31.44 30.97 3kbz n GLU 213 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3kbz h GLY 214 N 3.98 0.00 -1.43 0.62 0.00 -2.07 -1.28 103.07 102.89 3kbz h GLY 214 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kbz h GLY 214 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.82 3kbz n TYR 215 N -2.39 0.42 -0.33 5.60 0.53 -1.13 -4.56 117.16 115.30 3kbz n TYR 215 Ca 0.01 -0.21 0.10 0.00 -1.02 0.00 0.00 57.90 56.78 3kbz n TYR 215 Cb 0.20 0.00 0.22 0.00 -1.03 0.00 0.00 39.34 38.73 3kbz n TYR 215 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3kbz h ALA 216 N 4.06 0.93 -0.65 -0.72 0.00 -1.46 0.19 119.26 121.62 3kbz h ALA 216 Ca 0.00 0.33 0.14 0.00 0.00 0.00 0.00 54.91 55.39 3kbz h ALA 216 Cb 0.63 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 3kbz h ALA 216 CO 0.00 -0.48 0.44 -0.22 0.00 0.00 0.00 179.25 178.99 3kbz h LYS 217 N 0.02 0.26 -0.55 0.00 3.64 -1.85 -1.55 116.57 116.55 3kbz h LYS 217 Ca 0.52 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.89 3kbz h LYS 217 Cb 0.97 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 3kbz h LYS 217 CO -0.90 0.17 0.00 -0.25 -2.27 0.00 0.00 179.45 176.21 3kbz n ASP 218 N -4.44 3.54 -4.71 4.20 8.00 0.63 -5.01 116.55 118.77 3kbz n ASP 218 Ca 0.12 -1.98 -0.38 0.00 0.71 0.00 0.00 54.79 53.27 3kbz n ASP 218 Cb 0.53 -0.36 0.06 0.00 -0.02 0.00 0.00 41.12 41.33 3kbz n ASP 218 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3kbz n PHE 219 N 1.32 1.77 -2.64 1.24 3.72 -0.59 -4.55 117.46 117.73 3kbz n PHE 219 Ca 0.20 0.43 -0.36 0.00 -0.05 0.00 0.00 57.45 57.67 3kbz n PHE 219 Cb 0.56 -2.26 -0.05 0.00 -0.94 0.00 0.00 39.48 36.79 3kbz n PHE 219 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3kbz s ASP 220 N -1.25 6.89 0.32 4.37 -1.08 -1.26 -4.84 116.67 119.82 3kbz s ASP 220 Ca 0.79 1.93 0.09 0.00 -0.52 0.00 0.00 52.55 54.84 3kbz s ASP 220 Cb -0.40 -2.58 0.87 0.00 -1.46 0.00 0.00 42.92 39.35 3kbz s ASP 220 CO 0.44 -0.39 1.72 -0.65 0.52 0.00 0.00 175.17 176.81 3kbz h PRO 221 N 2.51 0.54 -0.56 4.34 0.11 -1.97 -0.89 132.00 136.09 3kbz h PRO 221 Ca -0.48 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 3kbz h PRO 221 Cb 1.20 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3kbz h PRO 221 CO 0.62 0.36 0.15 0.00 -0.21 0.00 0.00 178.00 178.93 3kbz h ALA 222 N 1.73 0.74 -0.49 -0.75 0.00 -1.92 -0.38 119.26 118.19 3kbz h ALA 222 Ca 0.64 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 55.28 3kbz h ALA 222 Cb 1.21 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3kbz h ALA 222 CO -0.48 0.42 0.09 0.28 0.00 0.00 0.00 179.25 179.55 3kbz h VAL 223 N 0.79 1.25 -0.72 0.00 2.07 -1.59 -0.09 116.25 117.96 3kbz h VAL 223 Ca 0.18 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.79 3kbz h VAL 223 Cb 0.32 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 3kbz h VAL 223 CO -0.00 0.32 0.46 0.74 0.02 0.00 0.00 177.57 179.12 3kbz h THR 224 N 0.68 1.19 -0.29 2.57 2.02 -0.91 -1.41 112.91 116.76 3kbz h THR 224 Ca 0.15 -0.37 -0.18 0.00 0.77 0.00 0.00 66.41 66.78 3kbz h THR 224 Cb 0.38 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 3kbz h THR 224 CO 0.01 0.19 -0.53 -0.08 0.37 0.00 0.00 175.52 175.47 3kbz h GLU 225 N 0.97 0.88 -0.08 6.66 4.81 -0.87 -2.04 114.58 124.92 3kbz h GLU 225 Ca 0.26 -0.55 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 3kbz h GLU 225 Cb -0.09 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 3kbz h GLU 225 CO -0.05 1.19 0.05 -0.92 -0.73 0.00 0.00 179.01 178.55 3kbz h TYR 226 N 0.67 0.10 -0.57 0.92 3.20 -0.78 -0.75 116.97 119.76 3kbz h TYR 226 Ca 0.02 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 3kbz h TYR 226 Cb 1.14 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 39.35 3kbz h TYR 226 CO 0.07 0.08 0.24 0.82 -1.64 0.00 0.00 178.16 177.73 3kbz h ILE 227 N 0.09 1.20 -0.18 1.81 1.08 -1.29 -0.92 117.51 119.29 3kbz h ILE 227 Ca 0.03 -0.62 -0.03 0.00 -0.39 0.00 0.00 64.86 63.85 3kbz h ILE 227 Cb 0.01 0.51 -0.01 0.00 -3.07 0.00 0.00 36.82 34.26 3kbz h ILE 227 CO -0.01 0.25 -0.02 -0.61 -0.69 0.00 0.00 178.15 177.07 3kbz h GLN 228 N 0.81 0.26 0.00 2.37 5.75 -0.80 -1.55 115.11 121.96 3kbz h GLN 228 Ca 0.20 -0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.58 3kbz h GLN 228 Cb 0.15 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 3kbz h GLN 228 CO -0.02 0.31 -0.34 0.00 -2.65 0.00 0.00 178.83 176.13 3kbz h ARG 229 N 0.26 0.00 0.00 1.69 3.08 0.24 0.35 114.38 120.00 3kbz h ARG 229 Ca 0.06 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.90 3kbz h ARG 229 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 3kbz h ARG 229 CO 0.01 0.34 -0.90 0.87 -1.07 0.00 0.00 179.97 179.22 3kbz h LYS 230 N 0.00 0.25 0.16 0.04 1.79 -0.80 -2.82 116.57 115.19 3kbz h LYS 230 Ca -0.00 -0.28 -0.34 0.00 -2.18 0.00 0.00 60.65 57.85 3kbz h LYS 230 Cb 1.03 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 3kbz h LYS 230 CO 0.04 1.00 -1.72 0.87 -1.08 0.00 0.00 179.45 178.56 3kbz h LYS 231 N 0.14 0.35 -2.51 3.15 1.57 -1.31 -0.97 116.57 116.99 3kbz h LYS 231 Ca -0.05 -0.59 -0.60 0.00 -1.87 0.00 0.00 60.65 57.53 3kbz h LYS 231 Cb 1.53 0.22 -0.41 0.00 0.08 0.00 0.00 32.23 33.65 3kbz h LYS 231 CO 0.14 1.25 -0.68 1.19 -0.57 0.00 0.00 179.45 180.78 3kbz n PHE 232 N -3.54 2.61 -1.56 -1.35 3.01 0.10 -4.72 117.46 112.00 3kbz n PHE 232 Ca -0.23 -4.06 -0.49 0.00 1.01 0.00 0.00 57.45 53.68 3kbz n PHE 232 Cb 1.07 -0.48 -0.05 0.00 -0.01 0.00 0.00 39.48 40.00 3kbz n PHE 232 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 3kbz n PRO 233 N 1.50 1.60 0.27 -1.08 -0.02 -1.06 -4.55 135.00 131.66 3kbz n PRO 233 Ca 0.25 0.50 0.17 0.00 -2.02 0.00 0.00 63.50 62.41 3kbz n PRO 233 Cb 0.41 -2.66 0.84 0.00 -0.02 0.00 0.00 33.50 32.06 3kbz n PRO 233 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3kbz h PRO 234 N 11.73 0.00 -0.48 0.52 0.13 -1.92 0.54 132.00 142.53 3kbz h PRO 234 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3kbz h PRO 234 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3kbz h PRO 234 CO 0.98 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.35 3kbz n ASP 235 N -3.17 2.72 -1.15 1.44 5.68 -1.26 -4.93 116.55 115.87 3kbz n ASP 235 Ca 0.00 -1.97 -0.15 0.00 -0.50 0.00 0.00 54.79 52.17 3kbz n ASP 235 Cb 0.40 -0.32 -0.06 0.00 -1.14 0.00 0.00 41.12 40.00 3kbz n ASP 235 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3kbz n ASN 236 N 0.99 -5.18 -4.06 -1.12 5.03 0.19 -5.00 115.26 106.11 3kbz n ASN 236 Ca 0.17 0.37 -0.30 0.00 0.87 0.00 0.00 54.58 55.70 3kbz n ASN 236 Cb 0.44 -4.00 0.21 0.00 -1.02 0.00 0.00 39.78 35.40 3kbz n ASN 236 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 3kbz s SER 237 N -2.69 2.14 0.12 6.41 1.04 -1.26 -4.95 113.70 114.51 3kbz s SER 237 Ca 0.00 0.51 -0.31 0.00 0.48 0.00 0.00 55.95 56.63 3kbz s SER 237 Cb 0.00 -0.71 -0.08 0.00 0.10 0.00 0.00 66.02 65.33 3kbz s SER 237 CO 0.00 -3.36 1.46 0.00 0.98 0.00 0.00 173.24 172.32 3kbz s ALA 238 N -3.42 3.65 0.54 5.32 0.00 -1.26 -4.61 121.76 121.99 3kbz s ALA 238 Ca 0.71 1.19 -0.21 0.00 0.00 0.00 0.00 51.96 53.66 3kbz s ALA 238 Cb -0.08 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.42 3kbz s ALA 238 CO 0.54 -0.70 1.24 -1.25 0.00 0.00 0.00 175.76 175.59 3kbz s PRO 239 N 1.26 3.26 0.62 0.00 0.04 -1.26 -4.95 135.00 133.97 3kbz s PRO 239 Ca 0.67 1.93 -0.17 0.00 0.04 0.00 0.00 61.00 63.46 3kbz s PRO 239 Cb -0.39 -2.17 -0.02 0.00 0.04 0.00 0.00 34.50 31.97 3kbz s PRO 239 CO 0.30 -1.00 1.14 0.71 0.04 0.00 0.00 177.00 178.20 3kbz s TYR 240 N -1.50 2.52 0.40 0.56 1.51 -0.37 -5.02 117.35 115.46 3kbz s TYR 240 Ca 0.72 1.55 -0.07 0.00 -1.01 0.00 0.00 57.07 58.26 3kbz s TYR 240 Cb -0.33 -3.29 -0.05 0.00 -0.11 0.00 0.00 41.96 38.18 3kbz s TYR 240 CO 0.38 -1.86 0.72 0.20 -1.11 0.00 0.00 175.55 173.87 3kbz s GLY 241 N -2.11 1.74 -0.07 0.71 0.00 0.96 -4.81 107.32 103.74 3kbz s GLY 241 Ca 0.71 -0.42 0.02 0.00 0.00 0.00 0.00 44.72 45.03 3kbz s GLY 241 CO 0.36 -0.27 -0.13 0.00 0.00 0.00 0.00 173.10 173.07 3kbz s ALA 242 N -2.43 2.71 -0.08 3.20 0.00 -1.26 -1.43 121.76 122.46 3kbz s ALA 242 Ca 0.48 -0.95 -0.05 0.00 0.00 0.00 0.00 51.96 51.44 3kbz s ALA 242 Cb -0.10 -1.05 0.03 0.00 0.00 0.00 0.00 23.12 22.00 3kbz s ALA 242 CO 0.36 0.50 0.20 1.03 0.00 0.00 0.00 175.76 177.84 3kbz s ARG 243 N -0.54 0.18 -0.29 0.00 1.81 -1.05 -4.98 118.95 114.09 3kbz s ARG 243 Ca 0.07 0.39 0.02 0.00 -1.72 0.00 0.00 55.73 54.49 3kbz s ARG 243 Cb -0.12 -0.06 0.16 0.00 -0.45 0.00 0.00 34.95 34.49 3kbz s ARG 243 CO 0.02 -0.11 0.44 -0.47 -0.68 0.00 0.00 175.30 174.49 3kbz s TYR 244 N 0.81 -1.12 0.10 -0.53 5.04 -1.26 -4.03 117.35 116.36 3kbz s TYR 244 Ca -0.06 0.48 -0.08 0.00 -2.44 0.00 0.00 57.07 54.97 3kbz s TYR 244 Cb -0.07 -0.07 -0.18 0.00 0.35 0.00 0.00 41.96 41.99 3kbz s TYR 244 CO -0.05 -0.98 1.23 0.28 -1.34 0.00 0.00 175.55 174.69 3kbz h VAL 245 N 6.14 1.37 0.00 3.14 2.07 -1.97 -3.48 116.25 123.53 3kbz h VAL 245 Ca -0.08 -2.50 0.00 0.00 0.82 0.00 0.00 66.70 64.94 3kbz h VAL 245 Cb 1.13 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 33.43 3kbz h VAL 245 CO 0.25 0.75 0.00 0.61 0.02 0.00 0.00 177.57 179.20 3kbz n GLY 246 N 1.12 0.40 3.18 2.17 0.00 -1.26 -5.01 105.19 105.79 3kbz n GLY 246 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 3kbz n GLY 246 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kbz s SER 247 N -2.80 3.82 0.21 1.61 0.15 -1.26 -4.87 113.70 110.56 3kbz s SER 247 Ca 0.00 -0.72 -0.10 0.00 0.70 0.00 0.00 55.95 55.84 3kbz s SER 247 Cb 0.00 -1.59 0.27 0.00 -1.71 0.00 0.00 66.02 62.98 3kbz s SER 247 CO 0.00 -0.06 1.76 -0.03 1.20 0.00 0.00 173.24 176.11 3kbz h MET 248 N 7.98 0.44 -0.93 5.44 4.05 -1.94 -1.08 114.93 128.90 3kbz h MET 248 Ca -0.39 -0.03 0.01 0.00 -0.28 0.00 0.00 59.70 59.01 3kbz h MET 248 Cb 1.13 -0.10 -0.05 0.00 -0.80 0.00 0.00 31.60 31.78 3kbz h MET 248 CO 0.60 0.29 0.62 0.28 0.23 0.00 0.00 176.91 178.93 3kbz h VAL 249 N 0.46 1.23 -0.11 -5.77 2.07 -1.96 0.17 116.25 112.34 3kbz h VAL 249 Ca 0.30 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 3kbz h VAL 249 Cb 0.34 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 29.98 3kbz h VAL 249 CO -0.28 0.23 -0.05 0.00 0.02 0.00 0.00 177.57 177.49 3kbz h ALA 250 N 1.34 0.15 -0.64 1.67 0.00 -1.73 -0.76 119.26 119.30 3kbz h ALA 250 Ca 0.34 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3kbz h ALA 250 Cb -0.13 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3kbz h ALA 250 CO -0.08 -0.07 0.15 -0.44 0.00 0.00 0.00 179.25 178.81 3kbz h ASP 251 N -0.12 0.97 -0.47 0.00 3.32 -0.97 -1.98 116.42 117.16 3kbz h ASP 251 Ca 0.02 -0.24 -0.13 0.00 0.02 0.00 0.00 57.03 56.71 3kbz h ASP 251 Cb 0.51 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3kbz h ASP 251 CO 0.02 0.95 -0.22 0.58 -1.72 0.00 0.00 179.24 178.85 3kbz h VAL 252 N 0.94 1.27 -0.72 -1.35 2.07 -0.68 -2.17 116.25 115.61 3kbz h VAL 252 Ca 0.20 -1.39 -0.04 0.00 0.82 0.00 0.00 66.70 66.29 3kbz h VAL 252 Cb 0.37 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 3kbz h VAL 252 CO 0.00 0.48 0.29 -0.74 0.02 0.00 0.00 177.57 177.62 3kbz h HIS 253 N 0.83 1.11 -0.82 1.57 -0.00 -0.98 -0.56 115.15 116.30 3kbz h HIS 253 Ca 0.10 -0.08 -0.02 0.00 -0.00 0.00 0.00 60.37 60.37 3kbz h HIS 253 Cb 0.80 -0.33 -0.04 0.00 -0.00 0.00 0.00 27.41 27.84 3kbz h HIS 253 CO 0.05 0.85 0.44 -0.09 -0.00 0.00 0.00 177.93 179.18 3kbz h ARG 254 N 1.04 1.15 -0.57 5.26 2.43 -1.26 -0.47 114.38 121.96 3kbz h ARG 254 Ca 0.24 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3kbz h ARG 254 Cb 0.22 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 3kbz h ARG 254 CO -0.02 0.85 0.37 1.15 -1.51 0.00 0.00 179.97 180.81 3kbz h THR 255 N 1.14 1.15 -0.31 0.20 2.02 -0.78 0.29 112.91 116.62 3kbz h THR 255 Ca 0.29 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 3kbz h THR 255 Cb 0.05 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 3kbz h THR 255 CO -0.04 0.15 0.12 0.25 0.37 0.00 0.00 175.52 176.37 3kbz h LEU 256 N 0.77 0.44 -0.06 2.58 5.85 -0.62 0.58 115.31 124.84 3kbz h LEU 256 Ca 0.21 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 3kbz h LEU 256 Cb -0.07 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 3kbz h LEU 256 CO -0.04 0.49 -0.10 0.58 -0.34 0.00 0.00 178.44 179.03 3kbz h VAL 257 N 0.36 1.41 0.00 1.05 2.07 -0.82 -3.37 116.25 116.95 3kbz h VAL 257 Ca 0.10 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.25 3kbz h VAL 257 Cb 0.19 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 3kbz h VAL 257 CO -0.01 0.38 -1.53 -1.22 0.02 0.00 0.00 177.57 175.21 3kbz n TYR 258 N -4.67 0.14 0.00 1.57 4.01 0.10 -4.89 117.16 113.42 3kbz n TYR 258 Ca -0.08 0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 3kbz n TYR 258 Cb 0.34 -0.43 0.00 0.00 -0.31 0.00 0.00 39.34 38.95 3kbz n TYR 258 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kbz n GLY 259 N 1.32 -0.64 0.00 2.72 0.00 0.20 -4.72 105.19 104.08 3kbz n GLY 259 Ca -0.01 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.28 3kbz n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kbz n GLY 260 N -0.68 0.18 2.98 -0.02 0.00 -1.26 -4.54 105.19 101.85 3kbz n GLY 260 Ca 0.00 -2.09 -0.11 0.00 0.00 0.00 0.00 46.02 43.81 3kbz n GLY 260 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kbz s ILE 261 N 0.00 0.05 -0.07 -0.61 2.07 -0.57 0.24 121.20 122.30 3kbz s ILE 261 Ca 0.00 -0.37 0.05 0.00 -1.41 0.00 0.00 60.65 58.91 3kbz s ILE 261 Cb 0.00 -0.20 -0.00 0.00 0.13 0.00 0.00 42.46 42.39 3kbz s ILE 261 CO 0.00 -0.21 -0.22 0.12 -1.91 0.00 0.00 174.94 172.72 3kbz s PHE 262 N -0.63 2.27 0.00 3.50 5.36 0.84 -1.11 117.98 128.21 3kbz s PHE 262 Ca -0.07 -0.78 0.03 0.00 -0.96 0.00 0.00 56.93 55.15 3kbz s PHE 262 Cb -0.04 -1.51 -0.01 0.00 -0.34 0.00 0.00 43.02 41.12 3kbz s PHE 262 CO 0.00 -0.28 -0.09 -0.51 -1.46 0.00 0.00 175.22 172.87 3kbz s LEU 263 N 0.12 2.05 -0.43 6.12 1.02 0.21 -0.97 118.68 126.80 3kbz s LEU 263 Ca -0.10 -0.21 0.07 0.00 0.02 0.00 0.00 54.13 53.91 3kbz s LEU 263 Cb -0.15 -0.46 0.24 0.00 0.02 0.00 0.00 46.19 45.84 3kbz s LEU 263 CO 0.05 0.08 0.64 0.00 0.02 0.00 0.00 176.35 177.15 3kbz n TYR 264 N 2.68 -1.53 -1.53 0.29 4.19 0.03 -4.42 117.16 116.87 3kbz n TYR 264 Ca -0.14 -2.86 -0.29 0.00 3.31 0.00 0.00 57.90 57.92 3kbz n TYR 264 Cb 0.57 0.40 0.14 0.00 0.49 0.00 0.00 39.34 40.93 3kbz n TYR 264 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 3kbz s PRO 265 N -0.40 1.05 0.39 2.98 0.04 -1.26 -1.88 135.00 135.93 3kbz s PRO 265 Ca 0.34 0.26 -0.03 0.00 0.04 0.00 0.00 61.00 61.60 3kbz s PRO 265 Cb 0.17 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.84 3kbz s PRO 265 CO -0.16 -2.25 0.66 0.00 0.04 0.00 0.00 177.00 175.29 3kbz s ALA 266 N -3.29 3.54 0.34 8.56 0.00 -1.26 -4.59 121.76 125.07 3kbz s ALA 266 Ca 0.64 -0.64 -0.06 0.00 0.00 0.00 0.00 51.96 51.91 3kbz s ALA 266 Cb -0.14 -2.37 0.01 0.00 0.00 0.00 0.00 23.12 20.61 3kbz s ALA 266 CO 0.53 -0.11 0.53 0.54 0.00 0.00 0.00 175.76 177.26 3kbz s ASN 267 N -3.85 0.66 0.28 0.00 2.20 -0.86 -4.49 114.94 108.89 3kbz s ASN 267 Ca 0.44 -1.37 0.00 0.00 -0.94 0.00 0.00 52.86 50.99 3kbz s ASN 267 Cb -0.10 0.69 0.51 0.00 -2.00 0.00 0.00 41.25 40.34 3kbz s ASN 267 CO 0.38 -1.35 1.87 0.11 -2.94 0.00 0.00 177.10 175.17 3kbz h LYS 268 N 2.11 1.03 0.00 3.55 1.79 -1.94 -1.00 116.57 122.11 3kbz h LYS 268 Ca -0.29 -0.06 -0.08 0.00 -2.18 0.00 0.00 60.65 58.04 3kbz h LYS 268 Cb 1.24 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 31.65 3kbz h LYS 268 CO 0.39 0.68 -0.37 0.87 -1.08 0.00 0.00 179.45 179.94 3kbz h LYS 269 N 1.06 0.00 -2.14 3.15 1.57 -1.97 -3.37 116.57 114.87 3kbz h LYS 269 Ca 0.45 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.66 3kbz h LYS 269 Cb 0.32 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.24 3kbz h LYS 269 CO -0.20 0.37 -1.01 0.43 -0.57 0.00 0.00 179.45 178.46 3kbz n SER 270 N -3.43 0.42 0.03 0.86 7.64 -0.56 -4.99 113.62 113.60 3kbz n SER 270 Ca 0.00 -2.70 0.21 0.00 1.01 0.00 0.00 58.87 57.40 3kbz n SER 270 Cb 0.54 -0.62 0.64 0.00 -1.01 0.00 0.00 64.21 63.75 3kbz n SER 270 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3kbz h PRO 271 N 4.47 0.00 -0.13 1.43 0.11 -1.40 -0.10 132.00 136.39 3kbz h PRO 271 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3kbz h PRO 271 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3kbz h PRO 271 CO 0.48 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.36 3kbz n ASN 272 N -3.45 2.23 0.00 -2.05 5.03 -1.26 -4.72 115.26 111.04 3kbz n ASN 272 Ca 0.11 -1.86 0.00 0.00 0.87 0.00 0.00 54.58 53.70 3kbz n ASN 272 Cb 0.88 -0.08 0.00 0.00 -1.02 0.00 0.00 39.78 39.55 3kbz n ASN 272 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kbz n GLY 273 N -0.00 -2.02 0.01 7.41 0.00 -0.11 -0.69 105.19 109.80 3kbz n GLY 273 Ca 0.05 -1.62 -0.01 0.00 0.00 0.00 0.00 46.02 44.43 3kbz n GLY 273 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kbz n LYS 274 N -0.03 2.51 -2.14 1.61 5.02 -1.26 -4.62 118.16 119.24 3kbz n LYS 274 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.94 3kbz n LYS 274 Cb 0.00 -1.06 0.02 0.00 -0.02 0.00 0.00 35.03 33.97 3kbz n LYS 274 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3kbz s LEU 275 N -4.49 3.73 0.06 -0.35 1.43 -1.26 -4.79 118.68 113.01 3kbz s LEU 275 Ca -0.02 2.29 -0.22 0.00 -1.03 0.00 0.00 54.13 55.16 3kbz s LEU 275 Cb 0.01 -4.57 -0.06 0.00 0.03 0.00 0.00 46.19 41.60 3kbz s LEU 275 CO 0.09 -1.39 0.65 -0.13 0.23 0.00 0.00 176.35 175.80 3kbz s ARG 276 N -3.27 4.35 0.03 1.70 3.00 -1.26 -0.64 118.95 122.86 3kbz s ARG 276 Ca 0.75 0.87 -0.23 0.00 0.00 0.00 0.00 55.73 57.11 3kbz s ARG 276 Cb -0.27 -3.29 -0.16 0.00 0.00 0.00 0.00 34.95 31.22 3kbz s ARG 276 CO 0.30 0.49 1.44 1.25 0.00 0.00 0.00 175.30 178.78 3kbz h LEU 277 N 5.00 0.10 -0.35 2.53 5.85 -1.51 0.41 115.31 127.36 3kbz h LEU 277 Ca -0.47 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 57.90 3kbz h LEU 277 Cb 1.21 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 3kbz h LEU 277 CO 0.67 0.41 0.15 -0.07 -0.34 0.00 0.00 178.44 179.26 3kbz h LEU 278 N -0.20 0.46 -2.77 2.25 -0.00 -1.79 -0.54 115.31 112.72 3kbz h LEU 278 Ca 0.02 -0.14 0.00 0.00 -0.00 0.00 0.00 57.88 57.75 3kbz h LEU 278 Cb 0.36 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 40.90 3kbz h LEU 278 CO 0.00 0.48 0.00 0.00 -0.00 0.00 0.00 178.44 178.92 3kbz n TYR 279 N -4.72 0.17 0.09 1.13 0.18 -1.26 -4.55 117.16 108.20 3kbz n TYR 279 Ca -0.01 -0.45 0.00 0.00 1.88 0.00 0.00 57.90 59.32 3kbz n TYR 279 Cb 0.12 -0.04 0.00 0.00 -0.38 0.00 0.00 39.34 39.04 3kbz n TYR 279 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 3kbz n GLU 280 N -0.06 0.00 0.17 -3.48 1.02 -1.01 -4.18 120.64 113.10 3kbz n GLU 280 Ca 0.04 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.06 3kbz n GLU 280 Cb 0.30 -0.26 -0.07 0.00 -0.02 0.00 0.00 31.44 31.39 3kbz n GLU 280 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kbz h ASN 282 N -0.86 -0.31 -0.57 0.00 -0.26 -1.34 0.67 115.58 112.91 3kbz h ASN 282 Ca -0.05 0.06 0.07 0.00 -0.56 0.00 0.00 56.30 55.82 3kbz h ASN 282 Cb 0.53 0.15 -0.06 0.00 -1.06 0.00 0.00 38.32 37.88 3kbz h ASN 282 CO 0.08 -0.14 0.26 -0.65 -1.06 0.00 0.00 177.43 175.92 3kbz h PRO 283 N -0.13 0.46 -0.16 0.81 0.11 -1.80 0.10 132.00 131.40 3kbz h PRO 283 Ca 0.07 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 66.03 3kbz h PRO 283 Cb 0.23 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 3kbz h PRO 283 CO -0.17 0.31 -0.46 0.52 -0.21 0.00 0.00 178.00 177.99 3kbz h MET 284 N 0.48 0.39 -0.33 1.05 2.86 -1.42 -1.97 114.93 115.99 3kbz h MET 284 Ca 0.27 -0.21 -0.12 0.00 -2.06 0.00 0.00 59.70 57.58 3kbz h MET 284 Cb 0.25 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 3kbz h MET 284 CO -0.22 0.77 -0.30 0.00 1.06 0.00 0.00 176.91 178.22 3kbz h ALA 285 N 1.20 0.86 -0.48 6.32 0.00 -0.25 -1.28 119.26 125.63 3kbz h ALA 285 Ca 0.02 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 3kbz h ALA 285 Cb 0.93 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3kbz h ALA 285 CO 0.08 0.63 0.08 -0.92 0.00 0.00 0.00 179.25 179.12 3kbz h TYR 286 N 0.60 0.85 -0.64 0.00 3.20 -0.59 -0.91 116.97 119.47 3kbz h TYR 286 Ca 0.07 -0.12 -0.05 0.00 3.14 0.00 0.00 58.73 61.77 3kbz h TYR 286 Cb 0.81 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.82 3kbz h TYR 286 CO 0.04 0.78 0.19 0.28 -1.64 0.00 0.00 178.16 177.81 3kbz h VAL 287 N 0.67 1.25 0.08 1.81 2.07 -1.20 -2.07 116.25 118.86 3kbz h VAL 287 Ca 0.15 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 3kbz h VAL 287 Cb 0.39 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3kbz h VAL 287 CO 0.01 0.33 -0.04 0.24 0.02 0.00 0.00 177.57 178.13 3kbz h MET 288 N 0.93 -0.11 -0.86 1.57 2.86 -0.96 -2.06 114.93 116.29 3kbz h MET 288 Ca 0.20 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.82 3kbz h MET 288 Cb 0.31 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.96 3kbz h MET 288 CO -0.00 0.03 0.43 0.93 1.06 0.00 0.00 176.91 179.36 3kbz h GLU 289 N -0.23 1.23 0.00 1.72 5.08 -1.11 0.68 114.58 121.95 3kbz h GLU 289 Ca -0.01 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 3kbz h GLU 289 Cb 0.19 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 3kbz h GLU 289 CO 0.02 0.93 -0.05 0.87 -1.00 0.00 0.00 179.01 179.77 3kbz h LYS 290 N 1.22 0.00 -0.38 2.33 6.56 -1.28 -1.25 116.57 123.76 3kbz h LYS 290 Ca 0.30 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.89 3kbz h LYS 290 Cb 0.09 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.75 3kbz h LYS 290 CO -0.04 0.05 0.00 0.00 -2.06 0.00 0.00 179.45 177.40 3kbz n ALA 291 N -2.16 2.44 -0.69 3.86 0.00 -0.47 -4.49 120.51 119.00 3kbz n ALA 291 Ca -0.01 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.55 3kbz n ALA 291 Cb 0.22 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.72 3kbz n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kbz n GLY 292 N 1.39 0.61 0.43 0.00 0.00 -0.47 -0.94 105.19 106.21 3kbz n GLY 292 Ca 0.19 -0.40 -0.02 0.00 0.00 0.00 0.00 46.02 45.78 3kbz n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kbz n GLY 293 N -2.69 2.21 3.21 -0.02 0.00 0.22 -4.51 105.19 103.62 3kbz n GLY 293 Ca 0.00 -2.15 -0.14 0.00 0.00 0.00 0.00 46.02 43.73 3kbz n GLY 293 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kbz s MET 294 N -2.28 0.95 -0.24 1.61 1.00 -0.72 -3.80 119.30 115.82 3kbz s MET 294 Ca 0.06 -1.33 -0.02 0.00 0.00 0.00 0.00 55.69 54.39 3kbz s MET 294 Cb -0.00 -0.53 0.13 0.00 0.00 0.00 0.00 34.83 34.43 3kbz s MET 294 CO 0.04 0.06 0.35 0.00 0.00 0.00 0.00 175.02 175.47 3kbz s ALA 295 N -3.07 -0.91 0.21 3.03 0.00 -1.26 -1.62 121.76 118.14 3kbz s ALA 295 Ca 0.12 0.66 0.09 0.00 0.00 0.00 0.00 51.96 52.83 3kbz s ALA 295 Cb 0.01 -1.65 -0.05 0.00 0.00 0.00 0.00 23.12 21.44 3kbz s ALA 295 CO -0.01 -1.32 -0.17 -0.08 0.00 0.00 0.00 175.76 174.19 3kbz s THR 296 N 2.49 1.93 -1.37 0.00 -1.32 0.06 -1.57 115.64 115.87 3kbz s THR 296 Ca 0.11 -2.19 0.23 0.00 -1.21 0.00 0.00 61.69 58.63 3kbz s THR 296 Cb -0.15 -2.06 -0.08 0.00 -1.51 0.00 0.00 72.50 68.70 3kbz s THR 296 CO -0.17 -0.48 1.11 0.35 -2.21 0.00 0.00 174.62 173.22 3kbz n THR 297 N -0.27 0.00 0.00 5.08 -2.24 0.01 -0.30 114.28 116.56 3kbz n THR 297 Ca -0.09 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3kbz n THR 297 Cb 0.59 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 3kbz n THR 297 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kbz n GLY 298 N 1.46 3.09 0.09 3.38 0.00 -1.26 -4.71 105.19 107.24 3kbz n GLY 298 Ca 0.07 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 3kbz n GLY 298 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kbz n LYS 299 N 0.00 0.67 -3.86 1.61 5.02 -1.26 -4.96 118.16 115.38 3kbz n LYS 299 Ca 0.00 0.10 -0.07 0.00 -2.02 0.00 0.00 58.31 56.32 3kbz n LYS 299 Cb 0.00 -1.61 -0.02 0.00 -0.02 0.00 0.00 35.03 33.38 3kbz n LYS 299 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3kbz s GLU 300 N -2.53 1.81 0.14 1.97 -1.05 -1.26 -5.13 118.70 112.65 3kbz s GLU 300 Ca -0.09 -1.01 -0.31 0.00 -0.15 0.00 0.00 54.97 53.41 3kbz s GLU 300 Cb 0.07 0.61 -0.08 0.00 -0.44 0.00 0.00 34.13 34.28 3kbz s GLU 300 CO 0.82 -0.83 1.40 0.00 0.95 0.00 0.00 175.26 177.61 3kbz s ALA 301 N -3.83 3.61 0.27 -0.84 0.00 -1.26 -0.81 121.76 118.89 3kbz s ALA 301 Ca 0.11 1.16 -0.00 0.00 0.00 0.00 0.00 51.96 53.23 3kbz s ALA 301 Cb -0.06 -3.54 0.62 0.00 0.00 0.00 0.00 23.12 20.15 3kbz s ALA 301 CO 0.07 -0.63 1.66 0.28 0.00 0.00 0.00 175.76 177.14 3kbz h VAL 302 N 4.09 0.39 0.00 0.00 2.07 -1.59 0.93 116.25 122.13 3kbz h VAL 302 Ca -0.43 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3kbz h VAL 302 Cb 1.21 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3kbz h VAL 302 CO 0.85 0.04 0.00 -0.07 0.02 0.00 0.00 177.57 178.41 3kbz h LEU 303 N 0.24 0.00 -0.44 2.57 3.38 -1.91 -2.52 115.31 116.63 3kbz h LEU 303 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.48 3kbz h LEU 303 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3kbz h LEU 303 CO -0.61 0.00 -0.57 0.47 0.09 0.00 0.00 178.44 177.82 3kbz n ASP 304 N -2.36 1.26 -4.71 -0.43 8.00 0.32 -0.75 116.55 117.88 3kbz n ASP 304 Ca -0.00 -1.02 -0.42 0.00 0.71 0.00 0.00 54.79 54.06 3kbz n ASP 304 Cb 0.12 0.50 -0.03 0.00 -0.02 0.00 0.00 41.12 41.69 3kbz n ASP 304 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3kbz s VAL 305 N -2.71 3.19 -0.41 2.53 1.01 -0.95 -4.97 120.40 118.09 3kbz s VAL 305 Ca 0.16 0.80 -0.16 0.00 0.00 0.00 0.00 61.98 62.78 3kbz s VAL 305 Cb 0.18 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 33.06 3kbz s VAL 305 CO 0.66 0.04 0.38 -0.63 0.00 0.00 0.00 175.10 175.55 3kbz s ILE 306 N 1.52 5.16 0.54 2.22 1.01 -1.26 -4.35 121.20 126.05 3kbz s ILE 306 Ca 0.67 -0.40 -0.20 0.00 0.00 0.00 0.00 60.65 60.72 3kbz s ILE 306 Cb -0.38 -3.97 -0.06 0.00 0.01 0.00 0.00 42.46 38.07 3kbz s ILE 306 CO 0.30 -0.33 1.15 -2.16 0.00 0.00 0.00 174.94 173.89 3kbz s PRO 307 N 1.96 3.33 0.00 2.79 0.04 -1.26 -4.96 135.00 136.89 3kbz s PRO 307 Ca 0.09 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.80 3kbz s PRO 307 Cb -0.18 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.33 3kbz s PRO 307 CO 0.12 -0.88 0.00 0.25 0.04 0.00 0.00 177.00 176.53 3kbz n THR 308 N -1.27 0.00 -3.75 1.26 -2.24 -1.26 -4.79 114.28 102.23 3kbz n THR 308 Ca 0.12 -0.34 -0.15 0.00 -2.27 0.00 0.00 64.05 61.41 3kbz n THR 308 Cb 0.50 0.89 -0.15 0.00 -2.10 0.00 0.00 70.33 69.48 3kbz n THR 308 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kbz s ASP 309 N -0.97 0.08 0.62 3.42 2.15 -1.26 -5.05 116.67 115.66 3kbz s ASP 309 Ca 0.00 0.20 0.33 0.00 0.43 0.00 0.00 52.55 53.51 3kbz s ASP 309 Cb 0.00 0.08 1.88 0.00 -0.30 0.00 0.00 42.92 44.58 3kbz s ASP 309 CO 0.00 -0.15 2.17 0.16 -0.17 0.00 0.00 175.17 177.18 3kbz h ILE 310 N 6.20 0.30 -0.23 4.11 3.07 -1.92 -1.70 117.51 127.34 3kbz h ILE 310 Ca -0.40 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.01 3kbz h ILE 310 Cb 1.13 0.89 0.00 0.00 -0.27 0.00 0.00 36.82 38.57 3kbz h ILE 310 CO 0.41 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.92 3kbz n HIS 311 N -3.51 0.75 -2.06 0.16 8.25 -1.26 -4.49 115.22 113.05 3kbz n HIS 311 Ca -0.01 -0.84 -0.38 0.00 -0.26 0.00 0.00 57.72 56.24 3kbz n HIS 311 Cb 0.22 -0.25 0.01 0.00 1.12 0.00 0.00 29.99 31.09 3kbz n HIS 311 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 3kbz s GLN 312 N -2.56 3.55 0.58 -0.41 -2.07 -0.64 -4.84 119.66 113.27 3kbz s GLN 312 Ca 0.38 1.98 -0.05 0.00 -1.82 0.00 0.00 55.36 55.85 3kbz s GLN 312 Cb 0.30 -2.39 0.01 0.00 -1.09 0.00 0.00 33.01 29.84 3kbz s GLN 312 CO 0.09 -0.78 0.88 1.03 -1.32 0.00 0.00 175.29 175.19 3kbz s ARG 313 N -2.73 2.92 -0.22 9.60 0.52 -1.26 -1.43 118.95 126.35 3kbz s ARG 313 Ca 0.66 -0.05 -0.16 0.00 -0.52 0.00 0.00 55.73 55.66 3kbz s ARG 313 Cb -0.34 -2.29 0.06 0.00 0.52 0.00 0.00 34.95 32.90 3kbz s ARG 313 CO 0.41 -0.67 0.55 0.00 0.02 0.00 0.00 175.30 175.61 3kbz s ALA 314 N -2.96 -1.43 0.54 2.13 0.00 0.19 -4.64 121.76 115.59 3kbz s ALA 314 Ca 0.54 1.81 -0.18 0.00 0.00 0.00 0.00 51.96 54.12 3kbz s ALA 314 Cb -0.10 -1.07 -0.06 0.00 0.00 0.00 0.00 23.12 21.89 3kbz s ALA 314 CO 0.44 -0.30 1.06 -1.25 0.00 0.00 0.00 175.76 175.72 3kbz s PRO 315 N 0.99 3.50 -0.15 0.00 0.04 0.14 -4.18 135.00 135.35 3kbz s PRO 315 Ca -0.06 1.35 -0.10 0.00 0.04 0.00 0.00 61.00 62.24 3kbz s PRO 315 Cb -0.06 -2.05 0.05 0.00 0.04 0.00 0.00 34.50 32.48 3kbz s PRO 315 CO -0.09 -0.68 0.36 0.54 0.04 0.00 0.00 177.00 177.17 3kbz s VAL 316 N -2.12 -0.02 -0.13 -0.36 0.11 -0.79 -4.24 120.40 112.86 3kbz s VAL 316 Ca 0.67 0.07 -0.01 0.00 -2.93 0.00 0.00 61.98 59.77 3kbz s VAL 316 Cb -0.18 -0.53 0.04 0.00 -1.53 0.00 0.00 36.38 34.18 3kbz s VAL 316 CO 0.28 0.03 -0.01 -0.63 -3.33 0.00 0.00 175.10 171.43 3kbz s ILE 317 N 0.91 0.66 0.20 7.04 1.09 0.59 -0.79 121.20 130.91 3kbz s ILE 317 Ca -0.06 -0.26 -0.02 0.00 -1.10 0.00 0.00 60.65 59.21 3kbz s ILE 317 Cb -0.06 -0.89 -0.04 0.00 -1.06 0.00 0.00 42.46 40.41 3kbz s ILE 317 CO -0.07 0.14 0.15 -1.48 -0.10 0.00 0.00 174.94 173.58 3kbz s LEU 318 N 1.83 1.14 0.00 2.97 0.05 -0.14 -0.76 118.68 123.77 3kbz s LEU 318 Ca 0.03 -1.33 0.00 0.00 0.05 0.00 0.00 54.13 52.88 3kbz s LEU 318 Cb -0.14 0.49 0.00 0.00 -2.05 0.00 0.00 46.19 44.49 3kbz s LEU 318 CO -0.07 -0.85 0.00 0.61 -0.55 0.00 0.00 176.35 175.49 3kbz n GLY 319 N -0.26 0.69 3.64 -3.48 0.00 -0.64 -0.11 105.19 105.02 3kbz n GLY 319 Ca 0.01 -1.92 -0.47 0.00 0.00 0.00 0.00 46.02 43.64 3kbz n GLY 319 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kbz n SER 320 N 0.00 2.42 -0.10 1.61 7.64 0.14 -1.76 113.62 123.57 3kbz n SER 320 Ca 0.00 1.13 -0.06 0.00 1.01 0.00 0.00 58.87 60.94 3kbz n SER 320 Cb 0.00 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 61.84 3kbz n SER 320 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3kbz h PRO 321 N 4.48 -0.16 -0.80 1.43 0.13 -1.77 -0.49 132.00 134.83 3kbz h PRO 321 Ca -0.45 0.01 0.10 0.00 -0.87 0.00 0.00 66.00 64.79 3kbz h PRO 321 Cb 1.29 0.04 -0.06 0.00 0.13 0.00 0.00 31.00 32.40 3kbz h PRO 321 CO 0.78 -0.10 0.52 -0.44 -0.23 0.00 0.00 178.00 178.53 3kbz h ASP 322 N -0.16 0.66 -0.25 1.44 3.45 -1.77 0.23 116.42 120.01 3kbz h ASP 322 Ca 0.18 0.02 -0.17 0.00 0.43 0.00 0.00 57.03 57.49 3kbz h ASP 322 Cb 0.44 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 39.09 3kbz h ASP 322 CO -0.46 0.39 -0.51 0.44 -1.57 0.00 0.00 179.24 177.54 3kbz h ASP 323 N 0.74 0.89 -0.21 6.45 3.45 -1.42 -1.88 116.42 124.42 3kbz h ASP 323 Ca 0.37 -0.54 -0.10 0.00 0.43 0.00 0.00 57.03 57.18 3kbz h ASP 323 Cb 0.45 -0.25 -0.00 0.00 -0.56 0.00 0.00 39.33 38.96 3kbz h ASP 323 CO -0.14 1.26 -0.26 0.58 -1.57 0.00 0.00 179.24 179.11 3kbz h VAL 324 N 0.54 1.33 -0.72 -1.35 2.07 -0.47 -2.26 116.25 115.39 3kbz h VAL 324 Ca 0.01 -1.45 0.09 0.00 0.82 0.00 0.00 66.70 66.16 3kbz h VAL 324 Cb 1.12 1.77 -0.07 0.00 -1.52 0.00 0.00 31.29 32.59 3kbz h VAL 324 CO 0.11 0.45 0.38 -0.07 0.02 0.00 0.00 177.57 178.46 3kbz h LEU 325 N 0.24 0.52 -0.90 2.57 4.07 -0.60 0.11 115.31 121.32 3kbz h LEU 325 Ca 0.03 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.03 3kbz h LEU 325 Cb 0.83 -0.04 -0.04 0.00 1.08 0.00 0.00 40.66 42.49 3kbz h LEU 325 CO 0.06 0.30 0.52 -0.08 -1.08 0.00 0.00 178.44 178.17 3kbz h GLU 326 N 0.65 1.23 -0.22 1.13 4.81 -1.22 -0.53 114.58 120.43 3kbz h GLU 326 Ca 0.35 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 3kbz h GLU 326 Cb 0.32 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3kbz h GLU 326 CO -0.24 0.88 0.09 0.35 -0.73 0.00 0.00 179.01 179.35 3kbz h PHE 327 N 1.24 0.34 -0.30 0.92 3.57 -0.47 -2.32 116.94 119.91 3kbz h PHE 327 Ca 0.32 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.84 3kbz h PHE 327 Cb -0.02 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 3kbz h PHE 327 CO 0.01 0.37 0.21 -0.07 -2.23 0.00 0.00 178.31 176.59 3kbz h LEU 328 N 0.21 0.19 -0.11 0.59 3.38 -0.31 0.19 115.31 119.45 3kbz h LEU 328 Ca 0.07 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3kbz h LEU 328 Cb 0.17 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3kbz h LEU 328 CO -0.01 0.13 0.04 0.50 0.09 0.00 0.00 178.44 179.20 3kbz h LYS 329 N 0.22 0.17 -0.61 1.13 3.64 -0.59 0.11 116.57 120.64 3kbz h LYS 329 Ca 0.13 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 3kbz h LYS 329 Cb 0.25 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 3kbz h LYS 329 CO -0.02 0.28 0.14 0.28 -2.27 0.00 0.00 179.45 177.85 3kbz h VAL 330 N 0.03 1.25 -0.44 2.00 2.07 -0.76 -2.19 116.25 118.21 3kbz h VAL 330 Ca 0.04 -0.93 0.02 0.00 0.82 0.00 0.00 66.70 66.65 3kbz h VAL 330 Cb 0.17 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3kbz h VAL 330 CO -0.00 0.35 0.25 0.22 0.02 0.00 0.00 177.57 178.41 3kbz h TYR 331 N 0.89 0.47 -0.52 1.57 3.20 -0.43 -2.31 116.97 119.84 3kbz h TYR 331 Ca 0.19 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.06 3kbz h TYR 331 Cb 0.37 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 3kbz h TYR 331 CO 0.03 0.27 0.25 1.49 -1.64 0.00 0.00 178.16 178.55 3kbz h GLU 332 N 0.51 0.72 -0.18 1.82 4.57 -0.56 -2.15 114.58 119.31 3kbz h GLU 332 Ca 0.18 -0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 58.24 3kbz h GLU 332 Cb 0.03 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.46 3kbz h GLU 332 CO -0.09 0.56 -0.02 -0.22 -1.18 0.00 0.00 179.01 178.06 3kbz h LYS 333 N 0.73 0.26 -0.30 1.92 3.64 -0.83 -2.00 116.57 119.99 3kbz h LYS 333 Ca 0.18 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3kbz h LYS 333 Cb 0.08 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3kbz h LYS 333 CO -0.02 0.31 0.00 0.72 -2.27 0.00 0.00 179.45 178.18 3kbz n HIS 334 N -4.36 0.38 1.10 1.91 8.25 -0.84 -5.12 115.22 116.53 3kbz n HIS 334 Ca -0.00 -0.19 0.12 0.00 -0.26 0.00 0.00 57.72 57.39 3kbz n HIS 334 Cb 0.19 0.00 0.19 0.00 1.12 0.00 0.00 29.99 31.49 3kbz n HIS 334 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41