#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2b s SER 2 N 0.00 5.29 0.29 7.83 0.01 -1.26 -4.75 113.70 121.12 2k2b s SER 2 Ca 0.00 -1.58 -0.01 0.00 1.31 0.00 0.00 55.95 55.67 2k2b s SER 2 Cb 0.00 -2.58 0.48 0.00 0.21 0.00 0.00 66.02 64.13 2k2b s SER 2 CO 0.00 -2.76 1.92 -0.50 0.41 0.00 0.00 173.24 172.31 2k2b h TRP 3 N 9.75 1.07 -0.01 2.43 4.06 -2.00 -2.31 115.95 128.93 2k2b h TRP 3 Ca 0.22 0.03 0.03 0.00 2.06 0.00 0.00 58.89 61.23 2k2b h TRP 3 Cb 0.94 -0.36 -0.05 0.00 -1.00 0.00 0.00 29.16 28.70 2k2b h TRP 3 CO 1.24 0.60 -0.25 0.52 -3.56 0.00 0.00 178.44 176.98 2k2b h MET 4 N 1.09 -0.37 -0.66 0.49 2.86 -1.85 -2.03 114.93 114.45 2k2b h MET 4 Ca 0.37 0.03 0.14 0.00 -2.06 0.00 0.00 59.70 58.17 2k2b h MET 4 Cb 0.09 0.08 -0.12 0.00 0.06 0.00 0.00 31.60 31.71 2k2b h MET 4 CO -0.12 -0.25 -0.13 0.37 1.06 0.00 0.00 176.91 177.84 2k2b h GLN 5 N -0.39 0.02 -0.70 1.72 4.15 -1.68 0.50 115.11 118.74 2k2b h GLN 5 Ca 0.06 -0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.58 2k2b h GLN 5 Cb 0.48 -0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.09 2k2b h GLN 5 CO -0.23 0.01 0.33 -0.97 -1.93 0.00 0.00 178.83 176.04 2k2b h ASN 6 N 0.02 0.41 0.98 -0.69 -1.24 -0.89 -2.19 115.58 111.99 2k2b h ASN 6 Ca 0.33 0.07 -0.00 0.00 0.71 0.00 0.00 56.30 57.40 2k2b h ASN 6 Cb 0.51 0.01 -0.00 0.00 0.73 0.00 0.00 38.32 39.57 2k2b h ASN 6 CO -0.66 0.23 -1.02 0.18 -1.29 0.00 0.00 177.43 174.86 2k2b n LEU 7 N -4.90 0.84 -0.01 0.34 7.99 -0.74 -4.69 117.00 115.83 2k2b n LEU 7 Ca 0.11 0.33 -0.01 0.00 -0.01 0.00 0.00 56.01 56.43 2k2b n LEU 7 Cb 0.29 -0.06 -0.00 0.00 -0.11 0.00 0.00 43.42 43.54 2k2b n LEU 7 CO 0.24 -0.18 -0.06 0.50 -1.51 0.00 0.00 177.39 176.38 2k2b h LYS 8 N 0.00 0.00 -7.11 3.23 3.64 0.49 -3.46 116.57 113.36 2k2b h LYS 8 Ca -0.00 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.82 2k2b h LYS 8 Cb 1.01 0.00 0.16 0.00 -0.41 0.00 0.00 32.23 32.99 2k2b h LYS 8 CO 0.00 0.00 0.52 -0.80 -2.27 0.00 0.00 179.45 176.90 2k2b s ASN 9 N -3.89 4.58 0.00 4.20 -0.87 -0.87 -4.73 114.94 113.36 2k2b s ASN 9 Ca -0.03 2.64 0.00 0.00 -1.57 0.00 0.00 52.86 53.91 2k2b s ASN 9 Cb 0.00 -2.62 0.00 0.00 -0.02 0.00 0.00 41.25 38.61 2k2b s ASN 9 CO 0.04 -2.02 0.00 0.00 -2.57 0.00 0.00 177.10 172.55 2k2b n TYR 10 N -1.90 0.00 -3.85 2.20 9.36 -1.26 -5.01 117.16 116.69 2k2b n TYR 10 Ca 0.16 0.00 -0.36 0.00 3.32 0.00 0.00 57.90 61.02 2k2b n TYR 10 Cb 0.48 -1.63 -0.13 0.00 -0.63 0.00 0.00 39.34 37.42 2k2b n TYR 10 CO 0.00 0.00 0.00 -1.14 0.22 0.00 0.00 176.86 175.94 2k2b s GLN 11 N -1.52 3.45 -0.03 2.98 2.00 -1.26 -4.94 119.66 120.34 2k2b s GLN 11 Ca 0.00 -0.59 0.01 0.00 -2.00 0.00 0.00 55.36 52.78 2k2b s GLN 11 Cb 0.00 -3.12 -0.02 0.00 0.80 0.00 0.00 33.01 30.67 2k2b s GLN 11 CO 0.00 -0.21 -0.02 1.58 -0.50 0.00 0.00 175.29 176.15 2k2b n HIS 12 N 4.84 0.00 0.00 1.67 -0.00 -1.26 -5.03 115.22 115.43 2k2b n HIS 12 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.55 2k2b n HIS 12 Cb 0.51 -0.12 0.00 0.00 -0.00 0.00 0.00 29.99 30.38 2k2b n HIS 12 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2k2b n LEU 13 N -2.46 0.00 -1.52 0.27 4.77 -1.26 -5.02 117.00 111.78 2k2b n LEU 13 Ca -0.05 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.96 2k2b n LEU 13 Cb 0.56 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.70 2k2b n LEU 13 CO 0.04 0.00 0.09 0.54 -1.33 0.00 0.00 177.39 176.73 2k2b n ARG 14 N -0.75 0.39 -1.51 3.23 1.74 -1.26 -4.46 116.66 114.05 2k2b n ARG 14 Ca 0.00 -2.32 -0.41 0.00 -0.77 0.00 0.00 57.85 54.36 2k2b n ARG 14 Cb 0.00 -0.37 -0.08 0.00 -1.02 0.00 0.00 32.46 30.99 2k2b n ARG 14 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2k2b n ASP 15 N 0.19 1.50 0.00 0.55 9.92 -1.26 -4.84 116.55 122.62 2k2b n ASP 15 Ca 0.08 -0.08 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2k2b n ASP 15 Cb 1.06 -1.27 0.00 0.00 -0.64 0.00 0.00 41.12 40.27 2k2b n ASP 15 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2k2b n PRO 16 N 8.67 0.00 -0.28 -0.24 -0.04 -1.26 -4.56 135.00 137.29 2k2b n PRO 16 Ca 0.49 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.88 2k2b n PRO 16 Cb 0.29 -0.09 -0.07 0.00 -0.04 0.00 0.00 33.50 33.59 2k2b n PRO 16 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2k2b n SER 17 N -0.63 -0.70 0.31 3.54 7.64 -1.26 -0.72 113.62 121.80 2k2b n SER 17 Ca 0.00 1.22 -0.18 0.00 1.01 0.00 0.00 58.87 60.93 2k2b n SER 17 Cb 0.00 -0.18 -0.09 0.00 -1.01 0.00 0.00 64.21 62.93 2k2b n SER 17 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2k2b h GLU 18 N 0.00 -0.96 -0.17 1.43 4.39 -1.89 0.24 114.58 117.62 2k2b h GLU 18 Ca 0.11 0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.87 2k2b h GLU 18 Cb 0.27 0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2k2b h GLU 18 CO -0.62 -0.64 0.10 1.88 -1.16 0.00 0.00 179.01 178.57 2k2b h TYR 19 N -0.99 0.24 0.00 4.33 -1.99 -1.64 0.68 116.97 117.60 2k2b h TYR 19 Ca -0.07 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.64 2k2b h TYR 19 Cb 0.85 -0.08 -0.00 0.00 2.00 0.00 0.00 36.73 39.50 2k2b h TYR 19 CO -0.21 0.23 -0.05 0.52 -0.00 0.00 0.00 178.16 178.64 2k2b h MET 20 N 0.18 0.00 0.00 4.88 2.86 -0.81 0.01 114.93 122.06 2k2b h MET 20 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2k2b h MET 20 Cb 0.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.73 2k2b h MET 20 CO -0.01 0.05 -1.00 0.43 1.06 0.00 0.00 176.91 177.44 2k2b n SER 21 N -3.28 0.86 -0.31 1.22 7.64 0.82 -4.31 113.62 116.27 2k2b n SER 21 Ca -0.01 -0.86 -0.01 0.00 1.01 0.00 0.00 58.87 59.00 2k2b n SER 21 Cb 0.23 1.09 0.12 0.00 -1.01 0.00 0.00 64.21 64.64 2k2b n SER 21 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2k2b h GLN 22 N 0.00 0.99 -6.20 1.43 5.75 0.24 -3.40 115.11 113.92 2k2b h GLN 22 Ca 0.00 -0.06 -0.56 0.00 -0.15 0.00 0.00 58.65 57.88 2k2b h GLN 22 Cb 0.50 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 28.79 2k2b h GLN 22 CO 0.00 0.66 0.99 0.54 -2.65 0.00 0.00 178.83 178.37 2k2b s VAL 23 N -6.09 3.98 0.45 2.39 0.11 -1.09 -4.83 120.40 115.33 2k2b s VAL 23 Ca -0.13 1.17 0.14 0.00 -2.93 0.00 0.00 61.98 60.24 2k2b s VAL 23 Cb 0.18 -3.78 0.19 0.00 -1.53 0.00 0.00 36.38 31.44 2k2b s VAL 23 CO 0.79 -0.13 2.01 0.22 -3.33 0.00 0.00 175.10 174.66 2k2b h TYR 24 N 8.89 0.03 0.00 1.54 3.20 -1.81 -3.43 116.97 125.39 2k2b h TYR 24 Ca -0.32 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.55 2k2b h TYR 24 Cb 1.13 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.40 2k2b h TYR 24 CO 0.84 0.17 0.00 0.41 -1.64 0.00 0.00 178.16 177.94 2k2b n GLY 25 N -1.09 0.09 3.66 1.82 0.00 -1.21 -4.84 105.19 103.63 2k2b n GLY 25 Ca -0.02 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 2k2b n GLY 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k2b s ASP 26 N -1.19 6.39 0.24 1.61 1.01 -1.24 -4.83 116.67 118.65 2k2b s ASP 26 Ca 0.00 0.45 -0.06 0.00 0.71 0.00 0.00 52.55 53.66 2k2b s ASP 26 Cb 0.00 -2.22 0.31 0.00 1.01 0.00 0.00 42.92 42.03 2k2b s ASP 26 CO 0.00 -0.07 1.86 -0.65 0.21 0.00 0.00 175.17 176.52 2k2b h PRO 27 N 7.45 0.96 -0.49 8.23 0.11 -1.86 -2.51 132.00 143.88 2k2b h PRO 27 Ca -0.36 -0.06 0.14 0.00 0.11 0.00 0.00 66.00 65.84 2k2b h PRO 27 Cb 1.16 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 2k2b h PRO 27 CO 0.71 0.63 0.39 1.37 -0.21 0.00 0.00 178.00 180.88 2k2b h LEU 28 N 0.98 0.00 0.35 2.35 -0.00 -1.89 0.20 115.31 117.30 2k2b h LEU 28 Ca 0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.24 2k2b h LEU 28 Cb 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.78 2k2b h LEU 28 CO -0.16 0.00 -0.29 0.00 -0.00 0.00 0.00 178.44 177.99 2k2b h ALA 29 N 1.69 -0.64 0.00 0.17 0.00 -1.63 -2.34 119.26 116.51 2k2b h ALA 29 Ca 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2k2b h ALA 29 Cb 1.00 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2k2b h ALA 29 CO -0.00 -0.89 0.00 1.88 0.00 0.00 0.00 179.25 180.24 2k2b h TYR 30 N -0.64 0.00 0.79 0.00 -1.99 -1.20 -0.35 116.97 113.57 2k2b h TYR 30 Ca -0.03 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.66 2k2b h TYR 30 Cb 0.56 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.30 2k2b h TYR 30 CO -0.15 0.00 -0.38 1.25 -0.00 0.00 0.00 178.16 178.88 2k2b h LEU 31 N 0.00 -0.90 -0.68 3.88 5.85 -0.53 0.18 115.31 123.11 2k2b h LEU 31 Ca 0.00 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.77 2k2b h LEU 31 Cb 0.45 0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 2k2b h LEU 31 CO 0.00 -0.63 0.44 1.56 -0.34 0.00 0.00 178.44 179.48 2k2b h GLN 32 N -1.11 0.86 0.12 1.25 7.50 -1.36 -2.73 115.11 119.65 2k2b h GLN 32 Ca -0.11 -0.05 0.00 0.00 0.50 0.00 0.00 58.65 58.99 2k2b h GLN 32 Cb 0.82 -0.19 -0.02 0.00 0.05 0.00 0.00 27.48 28.13 2k2b h GLN 32 CO 0.18 0.57 -0.25 1.49 -1.50 0.00 0.00 178.83 179.32 2k2b h GLU 33 N 0.89 -0.39 -1.01 1.46 4.57 -1.03 -1.92 114.58 117.15 2k2b h GLU 33 Ca 0.26 0.03 0.15 0.00 -1.18 0.00 0.00 59.36 58.62 2k2b h GLU 33 Cb -0.05 0.09 -0.09 0.00 -0.16 0.00 0.00 28.75 28.53 2k2b h GLU 33 CO -0.08 -0.26 0.63 1.79 -1.18 0.00 0.00 179.01 179.91 2k2b h THR 34 N -0.40 0.83 0.00 0.32 1.35 -0.63 0.66 112.91 115.04 2k2b h THR 34 Ca -0.01 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 2k2b h THR 34 Cb 0.39 -0.15 0.00 0.00 -1.73 0.00 0.00 68.15 66.65 2k2b h THR 34 CO -0.11 0.17 0.00 0.71 -0.25 0.00 0.00 175.52 176.04 2k2b h THR 35 N 0.91 0.00 0.00 6.82 1.35 -1.31 -3.23 112.91 117.45 2k2b h THR 35 Ca 0.53 -0.53 -0.39 0.00 -0.55 0.00 0.00 66.41 65.47 2k2b h THR 35 Cb 0.65 1.52 -0.07 0.00 -1.73 0.00 0.00 68.15 68.53 2k2b h THR 35 CO -0.31 0.00 -2.46 0.29 -0.25 0.00 0.00 175.52 172.79 2k2b n LYS 36 N -3.05 0.66 -1.58 4.72 4.76 0.09 -5.02 118.16 118.74 2k2b n LYS 36 Ca 0.01 0.13 -0.10 0.00 -2.87 0.00 0.00 58.31 55.48 2k2b n LYS 36 Cb 0.32 -1.52 -0.03 0.00 -1.84 0.00 0.00 35.03 31.95 2k2b n LYS 36 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2k2b n PHE 37 N -3.20 -0.15 -3.45 2.13 7.35 0.21 -5.00 117.46 115.34 2k2b n PHE 37 Ca -0.44 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.05 2k2b n PHE 37 Cb 1.01 -2.07 -0.11 0.00 0.35 0.00 0.00 39.48 38.66 2k2b n PHE 37 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2k2b s VAL 38 N -2.41 -0.32 -1.01 -2.13 -7.23 -1.26 -4.83 120.40 101.21 2k2b s VAL 38 Ca 0.00 -0.43 -0.25 0.00 -1.81 0.00 0.00 61.98 59.49 2k2b s VAL 38 Cb 0.00 -0.90 -0.18 0.00 0.56 0.00 0.00 36.38 35.86 2k2b s VAL 38 CO 0.00 -0.44 1.97 0.41 -0.31 0.00 0.00 175.10 176.74 2k2b n THR 39 N 5.30 1.01 -1.97 5.32 -1.04 -1.26 -4.92 114.28 116.71 2k2b n THR 39 Ca -0.04 -1.02 -0.25 0.00 -2.04 0.00 0.00 64.05 60.70 2k2b n THR 39 Cb 0.46 -2.10 0.16 0.00 -1.82 0.00 0.00 70.33 67.04 2k2b n THR 39 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2k2b n GLU 40 N 8.09 -0.90 -0.33 -2.82 -0.58 -1.26 -4.75 120.64 118.08 2k2b n GLU 40 Ca 0.44 -1.94 0.04 0.00 -0.42 0.00 0.00 57.16 55.29 2k2b n GLU 40 Cb 0.46 -1.07 0.11 0.00 -0.57 0.00 0.00 31.44 30.37 2k2b n GLU 40 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2k2b n ARG 41 N -3.29 -0.10 -0.17 3.49 1.85 -1.26 -0.51 116.66 116.68 2k2b n ARG 41 Ca 0.15 1.42 0.15 0.00 -1.00 0.00 0.00 57.85 58.56 2k2b n ARG 41 Cb 0.51 -2.11 0.49 0.00 -1.05 0.00 0.00 32.46 30.30 2k2b n ARG 41 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2k2b h GLU 42 N 0.00 0.43 0.00 2.89 4.39 -1.97 0.19 114.58 120.51 2k2b h GLU 42 Ca 0.42 -0.03 -0.15 0.00 0.34 0.00 0.00 59.36 59.95 2k2b h GLU 42 Cb 0.65 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 2k2b h GLU 42 CO -0.93 0.28 -0.96 1.88 -1.16 0.00 0.00 179.01 178.13 2k2b h TYR 43 N 0.44 0.00 0.00 4.33 0.05 -1.13 -3.08 116.97 117.58 2k2b h TYR 43 Ca 0.37 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.15 2k2b h TYR 43 Cb 0.81 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.55 2k2b h TYR 43 CO -0.00 0.60 0.00 0.66 -1.05 0.00 0.00 178.16 178.37 2k2b n TYR 44 N -3.10 0.19 1.63 4.88 4.01 0.51 -2.77 117.16 122.50 2k2b n TYR 44 Ca -0.03 0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 2k2b n TYR 44 Cb 0.81 -0.62 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 2k2b n TYR 44 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2k2b n GLU 45 N -1.67 0.94 -2.96 -0.72 -0.58 -0.31 -4.74 120.64 110.59 2k2b n GLU 45 Ca 0.04 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.65 2k2b n GLU 45 Cb 0.21 -1.12 0.01 0.00 -0.57 0.00 0.00 31.44 29.97 2k2b n GLU 45 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2k2b n ASP 46 N -0.36 -7.53 -0.60 1.62 8.00 -1.12 -4.96 116.55 111.60 2k2b n ASP 46 Ca 0.00 0.48 0.06 0.00 0.71 0.00 0.00 54.79 56.04 2k2b n ASP 46 Cb 0.06 -4.69 0.17 0.00 -0.02 0.00 0.00 41.12 36.63 2k2b n ASP 46 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2k2b n PHE 47 N -0.19 0.53 0.00 1.24 3.72 -1.26 -5.00 117.46 116.50 2k2b n PHE 47 Ca 0.07 -0.65 0.00 0.00 -0.05 0.00 0.00 57.45 56.82 2k2b n PHE 47 Cb 0.47 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 2k2b n PHE 47 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k2b n GLY 48 N -0.06 2.59 3.58 1.37 0.00 -1.26 -3.71 105.19 107.70 2k2b n GLY 48 Ca 0.14 0.25 -0.15 0.00 0.00 0.00 0.00 46.02 46.26 2k2b n GLY 48 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2k2b s TYR 49 N 0.00 -0.66 0.00 1.61 -0.85 -1.26 -4.68 117.35 111.51 2k2b s TYR 49 Ca 0.00 1.37 0.00 0.00 -0.52 0.00 0.00 57.07 57.92 2k2b s TYR 49 Cb 0.00 0.36 0.00 0.00 0.38 0.00 0.00 41.96 42.70 2k2b s TYR 49 CO 0.00 -0.46 0.00 0.41 -1.52 0.00 0.00 175.55 173.98 2k2b n GLY 50 N 1.65 1.81 2.85 5.49 0.00 -1.26 -3.31 105.19 112.42 2k2b n GLY 50 Ca -0.16 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 2k2b n GLY 50 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k2b n GLU 51 N 0.00 3.11 0.07 1.61 2.13 -1.21 -2.69 120.64 123.67 2k2b n GLU 51 Ca 0.00 -2.95 0.00 0.00 0.66 0.00 0.00 57.16 54.87 2k2b n GLU 51 Cb 0.00 -3.19 0.00 0.00 0.27 0.00 0.00 31.44 28.52 2k2b n GLU 51 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k2b n PHE 53 N -2.90 0.45 -3.68 0.00 3.01 -1.25 -4.88 117.46 108.22 2k2b n PHE 53 Ca 0.00 -0.21 -0.04 0.00 1.01 0.00 0.00 57.45 58.21 2k2b n PHE 53 Cb 0.00 -0.02 0.02 0.00 -0.01 0.00 0.00 39.48 39.46 2k2b n PHE 53 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 2k2b n ASN 54 N 0.39 -1.35 -0.46 4.37 2.85 -1.09 -4.29 115.26 115.68 2k2b n ASN 54 Ca 0.10 -1.81 0.08 0.00 -0.11 0.00 0.00 54.58 52.84 2k2b n ASN 54 Cb 0.29 2.22 0.19 0.00 1.24 0.00 0.00 39.78 43.71 2k2b n ASN 54 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 2k2b n SER 55 N -1.19 2.67 -4.00 1.20 3.41 -1.26 -4.14 113.62 110.32 2k2b n SER 55 Ca -0.03 -3.25 -0.28 0.00 -0.26 0.00 0.00 58.87 55.05 2k2b n SER 55 Cb 0.41 -0.49 -0.17 0.00 -0.26 0.00 0.00 64.21 63.70 2k2b n SER 55 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2k2b s THR 56 N -2.95 1.32 0.21 6.66 2.01 -1.26 -4.88 115.64 116.75 2k2b s THR 56 Ca 0.37 -0.51 -0.18 0.00 0.31 0.00 0.00 61.69 61.68 2k2b s THR 56 Cb 0.32 -1.25 0.02 0.00 0.01 0.00 0.00 72.50 71.60 2k2b s THR 56 CO 0.03 0.41 0.55 -1.83 -0.69 0.00 0.00 174.62 173.09 2k2b s GLU 57 N 1.29 1.46 -0.16 4.92 -1.05 -1.26 -3.33 118.70 120.58 2k2b s GLU 57 Ca -0.01 -0.91 -0.31 0.00 -0.15 0.00 0.00 54.97 53.59 2k2b s GLU 57 Cb -0.14 0.53 -0.08 0.00 -0.44 0.00 0.00 34.13 34.00 2k2b s GLU 57 CO -0.05 -0.63 2.09 0.45 0.95 0.00 0.00 175.26 178.07 2k2b n SER 58 N -0.37 3.31 -1.53 0.83 2.88 -1.26 -1.05 113.62 116.43 2k2b n SER 58 Ca -0.08 0.56 -0.18 0.00 -1.33 0.00 0.00 58.87 57.83 2k2b n SER 58 Cb 0.62 -1.46 -0.08 0.00 -0.75 0.00 0.00 64.21 62.54 2k2b n SER 58 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2k2b n GLU 59 N 7.94 -1.40 -1.98 -1.46 -0.58 -1.26 -0.63 120.64 121.26 2k2b n GLU 59 Ca 0.28 1.09 -0.20 0.00 -0.42 0.00 0.00 57.16 57.91 2k2b n GLU 59 Cb 0.37 -5.43 -0.05 0.00 -0.57 0.00 0.00 31.44 25.76 2k2b n GLU 59 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2k2b n VAL 60 N -2.22 -0.48 -3.92 2.62 0.31 -0.22 -4.97 118.33 109.45 2k2b n VAL 60 Ca -0.18 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 63.84 2k2b n VAL 60 Cb 0.60 -2.41 -0.15 0.00 -0.91 0.00 0.00 33.84 30.97 2k2b n VAL 60 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2k2b s GLN 61 N -4.35 1.31 0.63 5.55 -1.52 0.20 -4.99 119.66 116.49 2k2b s GLN 61 Ca 0.00 -1.43 -0.18 0.00 -1.95 0.00 0.00 55.36 51.80 2k2b s GLN 61 Cb 0.00 -2.70 -0.01 0.00 -0.22 0.00 0.00 33.01 30.07 2k2b s GLN 61 CO 0.00 -0.87 1.22 0.00 -0.25 0.00 0.00 175.29 175.39 2k2b h GLU 63 N 0.55 0.00 -1.14 0.00 4.22 -1.94 -2.96 114.58 113.31 2k2b h GLU 63 Ca -0.50 0.00 0.32 0.00 0.08 0.00 0.00 59.36 59.26 2k2b h GLU 63 Cb 1.30 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.48 2k2b h GLU 63 CO 0.54 0.00 0.78 1.25 -2.18 0.00 0.00 179.01 179.40 2k2b h LEU 64 N 0.00 0.20 -1.32 1.64 6.46 -1.91 0.46 115.31 120.84 2k2b h LEU 64 Ca 0.00 0.04 -0.07 0.00 -0.12 0.00 0.00 57.88 57.73 2k2b h LEU 64 Cb 0.17 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.10 2k2b h LEU 64 CO 0.00 0.02 -0.34 -0.29 -0.62 0.00 0.00 178.44 177.21 2k2b h ILE 65 N 0.16 1.25 0.12 4.05 -0.00 -1.91 -3.25 117.51 117.93 2k2b h ILE 65 Ca 0.60 -1.17 -0.36 0.00 -0.00 0.00 0.00 64.86 63.92 2k2b h ILE 65 Cb 1.99 1.63 -0.02 0.00 -0.00 0.00 0.00 36.82 40.42 2k2b h ILE 65 CO -0.15 0.33 -2.00 0.41 -0.00 0.00 0.00 178.15 176.74 2k2b n THR 66 N -4.13 1.77 -3.69 2.19 -1.04 0.15 -4.96 114.28 104.57 2k2b n THR 66 Ca -0.02 -0.66 -0.10 0.00 -2.04 0.00 0.00 64.05 61.23 2k2b n THR 66 Cb 0.38 -1.70 -0.11 0.00 -1.82 0.00 0.00 70.33 67.08 2k2b n THR 66 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2k2b s GLY 67 N -5.59 -0.35 0.56 3.41 0.00 -0.62 -4.71 107.32 100.02 2k2b s GLY 67 Ca -0.22 1.58 -0.20 0.00 0.00 0.00 0.00 44.72 45.88 2k2b s GLY 67 CO 0.77 1.77 1.26 -0.54 0.00 0.00 0.00 173.10 176.36 2k2b s GLU 68 N 1.49 3.13 0.00 2.90 8.01 -1.26 -4.27 118.70 128.69 2k2b s GLU 68 Ca -0.09 1.99 0.00 0.00 0.01 0.00 0.00 54.97 56.88 2k2b s GLU 68 Cb -0.08 -2.12 0.00 0.00 -4.31 0.00 0.00 34.13 27.61 2k2b s GLU 68 CO -0.13 -1.12 0.19 1.97 0.01 0.00 0.00 175.26 176.17 2k2b n PHE 69 N -1.22 0.00 -2.30 1.61 -1.74 -1.26 -4.58 117.46 107.97 2k2b n PHE 69 Ca 0.12 0.00 -0.25 0.00 -0.56 0.00 0.00 57.45 56.76 2k2b n PHE 69 Cb 0.47 0.09 0.06 0.00 1.52 0.00 0.00 39.48 41.63 2k2b n PHE 69 CO 0.00 0.00 0.00 0.16 -0.56 0.00 0.00 176.76 176.36 2k2b s ASP 70 N 0.00 4.87 0.00 5.98 -4.77 -1.26 -4.91 116.67 116.58 2k2b s ASP 70 Ca 0.00 0.33 0.00 0.00 -3.30 0.00 0.00 52.55 49.58 2k2b s ASP 70 Cb 0.00 -1.01 0.00 0.00 -1.09 0.00 0.00 42.92 40.82 2k2b s ASP 70 CO 0.00 -1.53 0.44 -2.65 0.70 0.00 0.00 175.17 172.13 2k2b n PRO 71 N -2.81 0.00 -0.29 2.11 -0.02 -1.26 -1.34 135.00 131.38 2k2b n PRO 71 Ca 0.08 0.09 -0.01 0.00 -2.02 0.00 0.00 63.50 61.64 2k2b n PRO 71 Cb 0.60 -1.71 0.12 0.00 -0.02 0.00 0.00 33.50 32.49 2k2b n PRO 71 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2k2b h LYS 72 N 0.00 0.93 -0.55 -0.52 3.64 -2.00 -2.75 116.57 115.31 2k2b h LYS 72 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2k2b h LYS 72 Cb 0.41 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2k2b h LYS 72 CO 0.00 0.61 0.00 1.28 -2.27 0.00 0.00 179.45 179.07 2k2b n LEU 73 N -4.62 3.64 -3.82 5.20 7.99 -0.45 -4.88 117.00 120.06 2k2b n LEU 73 Ca 0.11 -1.70 -0.25 0.00 -0.01 0.00 0.00 56.01 54.16 2k2b n LEU 73 Cb 0.14 -0.36 -0.17 0.00 -0.11 0.00 0.00 43.42 42.91 2k2b n LEU 73 CO 0.32 0.85 -0.40 -0.22 -1.51 0.00 0.00 177.39 176.43 2k2b s LEU 74 N -1.25 0.86 0.38 2.23 2.96 -1.04 -4.85 118.68 117.97 2k2b s LEU 74 Ca 0.44 -0.22 -0.27 0.00 -0.22 0.00 0.00 54.13 53.85 2k2b s LEU 74 Cb 0.24 -0.60 -0.11 0.00 0.50 0.00 0.00 46.19 46.22 2k2b s LEU 74 CO 0.32 -0.17 1.38 -0.81 -1.32 0.00 0.00 176.35 175.75 2k2b n PRO 75 N 5.06 2.33 -2.17 0.98 -0.04 -1.26 -4.62 135.00 135.28 2k2b n PRO 75 Ca -0.09 0.82 -0.37 0.00 -0.04 0.00 0.00 63.50 63.82 2k2b n PRO 75 Cb 0.50 -2.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.42 2k2b n PRO 75 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2k2b s TYR 76 N -1.13 1.85 -0.12 0.54 5.04 -1.26 -4.75 117.35 117.53 2k2b s TYR 76 Ca 0.56 0.50 -0.07 0.00 -2.44 0.00 0.00 57.07 55.63 2k2b s TYR 76 Cb -0.51 -4.22 -0.04 0.00 0.35 0.00 0.00 41.96 37.54 2k2b s TYR 76 CO 0.62 -2.14 0.13 -0.51 -1.34 0.00 0.00 175.55 172.31 2k2b s ASP 77 N 7.10 6.27 0.00 4.32 1.01 -1.26 -4.97 116.67 129.13 2k2b s ASP 77 Ca 0.60 0.43 0.00 0.00 0.71 0.00 0.00 52.55 54.29 2k2b s ASP 77 Cb -0.10 -2.01 0.00 0.00 1.01 0.00 0.00 42.92 41.82 2k2b s ASP 77 CO 0.14 0.40 0.68 0.29 0.21 0.00 0.00 175.17 176.88 2k2b n LYS 78 N 2.04 0.00 0.01 8.23 4.76 -1.26 -0.10 118.16 131.84 2k2b n LYS 78 Ca -0.20 0.55 -0.08 0.00 -2.87 0.00 0.00 58.31 55.72 2k2b n LYS 78 Cb 0.55 -1.18 0.10 0.00 -1.84 0.00 0.00 35.03 32.66 2k2b n LYS 78 CO 0.00 0.00 0.00 0.07 -1.37 0.00 0.00 177.40 176.10 2k2b h ARG 79 N 0.00 0.52 0.71 1.97 0.11 -1.99 -2.38 114.38 113.32 2k2b h ARG 79 Ca 0.00 -0.29 -0.03 0.00 0.10 0.00 0.00 59.98 59.75 2k2b h ARG 79 Cb 0.00 0.02 0.01 0.00 1.11 0.00 0.00 29.97 31.10 2k2b h ARG 79 CO 0.00 0.88 -0.34 -0.07 0.10 0.00 0.00 179.97 180.54 2k2b h LEU 80 N 0.42 -0.81 -1.00 0.08 -0.00 -1.85 -2.31 115.31 109.85 2k2b h LEU 80 Ca 0.03 0.03 -0.04 0.00 -0.00 0.00 0.00 57.88 57.89 2k2b h LEU 80 Cb 0.97 0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 41.81 2k2b h LEU 80 CO 0.09 -0.53 0.21 0.00 -0.00 0.00 0.00 178.44 178.21 2k2b h ALA 81 N -1.46 1.20 -0.51 1.53 0.00 -0.60 -2.39 119.26 117.03 2k2b h ALA 81 Ca -0.10 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.69 2k2b h ALA 81 Cb 0.73 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 2k2b h ALA 81 CO 0.16 0.57 0.19 2.35 0.00 0.00 0.00 179.25 182.52 2k2b h TRP 82 N 0.90 0.34 0.42 0.00 2.91 -1.46 0.16 115.95 119.23 2k2b h TRP 82 Ca 0.21 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.23 2k2b h TRP 82 Cb 0.24 -0.08 0.00 0.00 -0.51 0.00 0.00 29.16 28.81 2k2b h TRP 82 CO 0.02 0.12 -0.20 0.45 -1.03 0.00 0.00 178.44 177.79 2k2b h HIS 83 N 0.38 -0.53 0.00 2.65 3.86 -0.93 -2.42 115.15 118.16 2k2b h HIS 83 Ca 0.24 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.42 2k2b h HIS 83 Cb 0.25 0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.89 2k2b h HIS 83 CO -0.15 -0.26 -0.11 0.74 0.86 0.00 0.00 177.93 179.01 2k2b h PHE 84 N -0.69 0.00 0.02 2.45 0.04 -1.36 -1.82 116.94 115.58 2k2b h PHE 84 Ca -0.06 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.73 2k2b h PHE 84 Cb 0.50 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.63 2k2b h PHE 84 CO -0.02 0.11 -0.13 -0.22 -0.60 0.00 0.00 178.31 177.45 2k2b h LYS 85 N 0.00 -0.22 -0.16 1.51 3.64 -0.42 0.62 116.57 121.54 2k2b h LYS 85 Ca -0.00 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 2k2b h LYS 85 Cb 0.23 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 2k2b h LYS 85 CO 0.01 -0.15 -0.06 0.93 -2.27 0.00 0.00 179.45 177.92 2k2b h GLU 86 N -0.23 -0.03 0.00 1.90 3.07 -0.85 1.03 114.58 119.47 2k2b h GLU 86 Ca 0.04 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.88 2k2b h GLU 86 Cb 0.28 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.19 2k2b h GLU 86 CO -0.11 -0.02 -0.09 0.74 -1.40 0.00 0.00 179.01 178.13 2k2b h PHE 87 N -0.03 0.00 -0.48 4.33 0.04 -1.38 -2.22 116.94 117.21 2k2b h PHE 87 Ca 0.08 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.85 2k2b h PHE 87 Cb 0.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.30 2k2b h PHE 87 CO -0.20 0.09 0.00 0.00 -0.60 0.00 0.00 178.31 177.60 2k2b n TYR 89 N 1.32 0.00 -1.55 0.00 9.36 0.35 -4.87 117.16 121.77 2k2b n TYR 89 Ca 0.19 -0.83 -0.28 0.00 3.32 0.00 0.00 57.90 60.30 2k2b n TYR 89 Cb 0.56 -0.72 -0.07 0.00 -0.63 0.00 0.00 39.34 38.48 2k2b n TYR 89 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 2k2b n LYS 90 N 2.01 0.72 -3.99 2.98 0.00 -1.26 -4.56 118.16 114.06 2k2b n LYS 90 Ca 0.11 -0.30 -0.08 0.00 0.00 0.00 0.00 58.31 58.03 2k2b n LYS 90 Cb 0.46 -3.22 -0.10 0.00 0.00 0.00 0.00 35.03 32.17 2k2b n LYS 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2k2b s THR 91 N 12.18 0.16 -0.51 3.15 2.01 -1.21 -5.02 115.64 126.40 2k2b s THR 91 Ca 1.02 -1.36 -0.26 0.00 0.31 0.00 0.00 61.69 61.40 2k2b s THR 91 Cb -0.29 -1.11 -0.07 0.00 0.01 0.00 0.00 72.50 71.04 2k2b s THR 91 CO 0.24 -0.75 2.39 -0.94 -0.69 0.00 0.00 174.62 174.86 2k2b s SER 92 N -2.44 4.44 0.28 3.53 1.04 -1.26 -4.75 113.70 114.54 2k2b s SER 92 Ca -0.01 0.99 -0.04 0.00 0.48 0.00 0.00 55.95 57.38 2k2b s SER 92 Cb 0.02 -2.50 -0.01 0.00 0.10 0.00 0.00 66.02 63.62 2k2b s SER 92 CO -0.07 -2.92 0.36 0.00 0.98 0.00 0.00 173.24 171.59 2k2b s ALA 93 N 12.23 0.73 0.00 5.32 0.00 -1.26 -5.08 121.76 133.70 2k2b s ALA 93 Ca 0.96 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 51.46 2k2b s ALA 93 Cb -0.17 1.23 0.00 0.00 0.00 0.00 0.00 23.12 24.19 2k2b s ALA 93 CO 0.25 -0.74 0.00 1.58 0.00 0.00 0.00 175.76 176.85 2k2b n HIS 94 N -0.44 -0.12 -3.86 0.00 -0.00 -1.26 -4.24 115.22 105.30 2k2b n HIS 94 Ca 0.01 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 57.83 2k2b n HIS 94 Cb 0.63 0.02 -0.06 0.00 -0.12 0.00 0.00 29.99 30.46 2k2b n HIS 94 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 2k2b s GLY 95 N -1.06 2.14 -0.16 1.57 0.00 -1.26 -4.78 107.32 103.78 2k2b s GLY 95 Ca 0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 44.72 44.04 2k2b s GLY 95 CO 0.00 -0.30 0.07 1.39 0.00 0.00 0.00 173.10 174.26 2k2b n ILE 96 N 2.21 -8.67 0.40 0.90 2.08 -1.26 -5.00 119.36 110.03 2k2b n ILE 96 Ca -0.19 1.42 -0.16 0.00 0.56 0.00 0.00 62.75 64.38 2k2b n ILE 96 Cb 0.55 -5.64 -0.07 0.00 -0.75 0.00 0.00 39.64 33.72 2k2b n ILE 96 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 2k2b h PRO 97 N 2.18 -0.98 -7.28 0.38 0.11 -1.87 -3.46 132.00 121.06 2k2b h PRO 97 Ca -0.16 0.07 -0.47 0.00 0.11 0.00 0.00 66.00 65.54 2k2b h PRO 97 Cb 0.37 0.22 0.07 0.00 0.11 0.00 0.00 31.00 31.77 2k2b h PRO 97 CO 0.04 -0.66 0.25 0.00 -0.21 0.00 0.00 178.00 177.42 2k2b s MET 98 N -5.13 2.56 0.56 1.05 0.23 -1.26 -4.32 119.30 112.98 2k2b s MET 98 Ca -0.15 -0.02 0.28 0.00 -1.03 0.00 0.00 55.69 54.77 2k2b s MET 98 Cb 0.01 -2.17 1.64 0.00 -1.53 0.00 0.00 34.83 32.78 2k2b s MET 98 CO 0.45 -1.03 2.17 0.97 -2.03 0.00 0.00 175.02 175.55 2k2b h ILE 99 N -0.49 0.58 0.00 3.16 6.09 -1.96 -3.41 117.51 121.48 2k2b h ILE 99 Ca -0.45 -0.24 0.00 0.00 -1.37 0.00 0.00 64.86 62.80 2k2b h ILE 99 Cb 1.28 1.15 0.00 0.00 0.47 0.00 0.00 36.82 39.72 2k2b h ILE 99 CO 0.61 0.05 0.00 0.61 -3.07 0.00 0.00 178.15 176.36 2k2b n GLY 100 N -1.07 0.82 3.09 8.18 0.00 -1.26 -5.10 105.19 109.86 2k2b n GLY 100 Ca -0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 2k2b n GLY 100 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k2b s GLU 101 N 0.51 0.79 -0.29 1.61 2.02 -1.26 -5.01 118.70 117.07 2k2b s GLU 101 Ca 0.00 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 54.37 2k2b s GLU 101 Cb 0.00 -0.75 0.09 0.00 0.10 0.00 0.00 34.13 33.57 2k2b s GLU 101 CO 0.00 0.19 0.06 0.00 0.02 0.00 0.00 175.26 175.52 2k2b s ALA 102 N -0.75 1.83 -1.29 5.21 0.00 -1.26 -4.95 121.76 120.55 2k2b s ALA 102 Ca 0.00 -1.71 0.20 0.00 0.00 0.00 0.00 51.96 50.45 2k2b s ALA 102 Cb -0.07 -1.62 0.95 0.00 0.00 0.00 0.00 23.12 22.38 2k2b s ALA 102 CO 0.01 -1.55 1.62 -0.35 0.00 0.00 0.00 175.76 175.49 2k2b n PRO 103 N 4.72 0.19 -3.53 0.00 -0.04 -1.26 -4.84 135.00 130.23 2k2b n PRO 103 Ca -0.03 0.12 -0.11 0.00 -0.04 0.00 0.00 63.50 63.44 2k2b n PRO 103 Cb 0.43 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.37 2k2b n PRO 103 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2k2b s LEU 104 N -2.71 -0.45 -0.30 1.53 2.34 -1.26 -5.14 118.68 112.69 2k2b s LEU 104 Ca 0.16 -0.16 0.03 0.00 0.06 0.00 0.00 54.13 54.22 2k2b s LEU 104 Cb 0.13 2.58 0.20 0.00 -0.56 0.00 0.00 46.19 48.54 2k2b s LEU 104 CO 0.32 -1.05 0.67 -0.70 -1.06 0.00 0.00 176.35 174.53 2k2b s GLU 105 N -3.79 0.50 -0.18 1.48 2.56 -1.26 -5.01 118.70 113.00 2k2b s GLU 105 Ca 0.04 0.43 0.05 0.00 0.00 0.00 0.00 54.97 55.48 2k2b s GLU 105 Cb -0.02 0.21 0.15 0.00 2.00 0.00 0.00 34.13 36.47 2k2b s GLU 105 CO -0.08 -0.92 0.95 1.58 -0.56 0.00 0.00 175.26 176.23 2k2b n HIS 106 N 5.30 -0.82 -1.26 5.30 -0.00 -1.26 -5.16 115.22 117.31 2k2b n HIS 106 Ca 0.06 -0.74 -0.37 0.00 0.46 0.00 0.00 57.72 57.13 2k2b n HIS 106 Cb 0.55 1.02 0.06 0.00 -0.12 0.00 0.00 29.99 31.50 2k2b n HIS 106 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2k2b n HIS 107 N -0.57 -1.14 -1.90 1.57 1.44 -1.26 -4.90 115.22 108.45 2k2b n HIS 107 Ca -0.10 0.35 -0.32 0.00 -2.01 0.00 0.00 57.72 55.63 2k2b n HIS 107 Cb 0.66 -1.88 0.02 0.00 0.12 0.00 0.00 29.99 28.91 2k2b n HIS 107 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2k2b s HIS 108 N -1.91 2.98 -0.43 -1.40 3.76 -1.26 -5.02 115.29 112.01 2k2b s HIS 108 Ca 0.64 1.50 -0.16 0.00 -0.15 0.00 0.00 55.06 56.88 2k2b s HIS 108 Cb -0.36 -2.99 0.03 0.00 1.11 0.00 0.00 32.58 30.36 2k2b s HIS 108 CO 0.59 -1.20 0.39 -1.01 -0.85 0.00 0.00 174.74 172.67 2k2b s HIS 109 N -2.58 3.20 -0.14 1.40 3.76 -1.26 -5.07 115.29 114.59 2k2b s HIS 109 Ca 0.63 -0.51 -0.01 0.00 -0.15 0.00 0.00 55.06 55.02 2k2b s HIS 109 Cb -0.16 -2.84 -0.01 0.00 1.11 0.00 0.00 32.58 30.67 2k2b s HIS 109 CO 0.42 -0.69 -0.12 -1.58 -0.85 0.00 0.00 174.74 171.92 2k2b s HIS 110 N 1.96 2.83 -1.60 1.40 5.04 -1.26 -5.36 115.29 118.30 2k2b s HIS 110 Ca 0.09 -0.65 0.13 0.00 -1.54 0.00 0.00 55.06 53.09 2k2b s HIS 110 Cb -0.18 -1.86 0.10 0.00 0.04 0.00 0.00 32.58 30.67 2k2b s HIS 110 CO 0.12 -0.22 0.91 -2.39 -2.34 0.00 0.00 174.74 170.81