#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkp n ILE 2 N 0.00 1.28 -3.88 2.02 5.41 -1.26 -4.94 119.36 117.99 2kkp n ILE 2 Ca 0.00 0.30 -0.34 0.00 1.00 0.00 0.00 62.75 63.71 2kkp n ILE 2 Cb 0.00 -1.86 -0.13 0.00 -0.71 0.00 0.00 39.64 36.94 2kkp n ILE 2 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2kkp s GLU 3 N -2.30 1.87 0.36 0.38 2.02 -1.26 -4.98 118.70 114.79 2kkp s GLU 3 Ca -0.11 -1.78 0.05 0.00 0.02 0.00 0.00 54.97 53.15 2kkp s GLU 3 Cb 0.02 -3.40 0.70 0.00 0.10 0.00 0.00 34.13 31.54 2kkp s GLU 3 CO 0.16 -0.97 1.96 -1.00 0.02 0.00 0.00 175.26 175.43 2kkp h PRO 4 N 7.89 0.58 -3.05 0.39 0.13 -1.98 -3.46 132.00 132.49 2kkp h PRO 4 Ca -0.11 -0.08 0.04 0.00 -0.87 0.00 0.00 66.00 64.99 2kkp h PRO 4 Cb 1.04 -0.11 -0.04 0.00 0.13 0.00 0.00 31.00 32.01 2kkp h PRO 4 CO 0.62 0.49 0.21 -1.12 -0.23 0.00 0.00 178.00 177.96 2kkp s SER 5 N -6.68 -0.20 -0.00 1.44 0.01 -1.26 -5.04 113.70 101.97 2kkp s SER 5 Ca -0.08 -0.72 0.22 0.00 1.31 0.00 0.00 55.95 56.67 2kkp s SER 5 Cb 0.16 0.74 -0.22 0.00 0.21 0.00 0.00 66.02 66.92 2kkp s SER 5 CO 0.75 -1.39 0.79 0.29 0.41 0.00 0.00 173.24 174.10 2kkp n LYS 6 N -0.47 0.24 -1.97 12.44 5.02 -1.26 -4.72 118.16 127.45 2kkp n LYS 6 Ca -0.04 -0.06 -0.25 0.00 -2.02 0.00 0.00 58.31 55.94 2kkp n LYS 6 Cb 0.59 -1.52 -0.06 0.00 -0.02 0.00 0.00 35.03 34.02 2kkp n LYS 6 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2kkp s ILE 7 N -3.19 3.40 0.63 -0.18 -4.36 -1.26 -4.94 121.20 111.30 2kkp s ILE 7 Ca 0.03 -0.48 -0.08 0.00 -0.26 0.00 0.00 60.65 59.86 2kkp s ILE 7 Cb 0.15 -4.07 0.01 0.00 1.25 0.00 0.00 42.46 39.80 2kkp s ILE 7 CO 0.87 -0.79 0.97 0.42 0.24 0.00 0.00 174.94 176.65 2kkp s THR 8 N 11.46 3.63 0.10 8.37 -4.23 -1.26 0.44 115.64 134.15 2kkp s THR 8 Ca 0.73 0.18 -0.20 0.00 -1.18 0.00 0.00 61.69 61.22 2kkp s THR 8 Cb -0.05 -3.47 -0.09 0.00 1.34 0.00 0.00 72.50 70.23 2kkp s THR 8 CO 0.06 -0.54 1.70 0.58 -0.54 0.00 0.00 174.62 175.89 2kkp h VAL 9 N -0.34 1.10 -0.60 2.29 2.07 -0.73 -2.62 116.25 117.42 2kkp h VAL 9 Ca -0.45 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.80 2kkp h VAL 9 Cb 1.25 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 2kkp h VAL 9 CO 0.62 0.09 0.38 1.05 0.02 0.00 0.00 177.57 179.73 2kkp h GLU 10 N 0.19 0.80 -0.24 1.57 4.11 -1.27 0.38 114.58 120.11 2kkp h GLU 10 Ca 0.06 -0.06 -0.06 0.00 0.07 0.00 0.00 59.36 59.38 2kkp h GLU 10 Cb 0.06 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 2kkp h GLU 10 CO -0.01 0.54 -0.07 0.37 0.07 0.00 0.00 179.01 179.91 2kkp h GLN 11 N 0.82 0.48 -0.08 1.06 4.15 -1.77 -1.34 115.11 118.41 2kkp h GLN 11 Ca 0.22 -0.19 -0.06 0.00 0.77 0.00 0.00 58.65 59.39 2kkp h GLN 11 Cb -0.06 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.60 2kkp h GLN 11 CO -0.04 0.71 -0.16 2.35 -1.93 0.00 0.00 178.83 179.75 2kkp h TRP 12 N 0.21 0.33 0.22 3.99 7.01 -1.08 -3.03 115.95 123.60 2kkp h TRP 12 Ca 0.06 -0.12 -0.01 0.00 2.11 0.00 0.00 58.89 60.93 2kkp h TRP 12 Cb 0.54 -0.06 0.00 0.00 -2.10 0.00 0.00 29.16 27.54 2kkp h TRP 12 CO 0.05 0.76 -0.11 1.25 -2.79 0.00 0.00 178.44 177.61 2kkp h LEU 13 N -0.20 -0.25 -0.60 0.65 7.12 -0.26 0.45 115.31 122.20 2kkp h LEU 13 Ca 0.00 0.01 -0.01 0.00 0.13 0.00 0.00 57.88 58.02 2kkp h LEU 13 Cb 0.74 0.07 -0.03 0.00 -0.53 0.00 0.00 40.66 40.91 2kkp h LEU 13 CO 0.04 -0.18 0.35 -1.13 -0.13 0.00 0.00 178.44 177.39 2kkp h ASN 14 N -0.30 0.74 -0.48 1.25 -0.73 -1.37 -0.70 115.58 114.00 2kkp h ASN 14 Ca -0.03 -0.07 -0.05 0.00 1.87 0.00 0.00 56.30 58.02 2kkp h ASN 14 Cb 0.23 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 38.61 2kkp h ASN 14 CO 0.05 0.59 0.12 -0.09 -0.37 0.00 0.00 177.43 177.73 2kkp h ARG 15 N 0.82 0.76 -0.13 6.67 2.43 -1.38 -0.69 114.38 122.86 2kkp h ARG 15 Ca 0.21 -0.18 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 2kkp h ARG 15 Cb 0.00 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 2kkp h ARG 15 CO -0.04 0.74 0.03 2.35 -1.51 0.00 0.00 179.97 181.54 2kkp h TRP 16 N 0.65 0.04 -0.13 2.20 2.91 -0.55 -1.84 115.95 119.23 2kkp h TRP 16 Ca 0.15 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.15 2kkp h TRP 16 Cb 0.32 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.96 2kkp h TRP 16 CO 0.02 0.02 -0.03 -0.07 -1.03 0.00 0.00 178.44 177.34 2kkp h LEU 17 N 0.08 0.17 -0.07 0.65 4.07 -0.94 0.17 115.31 119.45 2kkp h LEU 17 Ca 0.06 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 2kkp h LEU 17 Cb 0.05 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 41.75 2kkp h LEU 17 CO -0.08 0.24 -0.00 0.74 -1.08 0.00 0.00 178.44 178.26 2kkp h THR 18 N 0.19 1.26 0.05 0.22 2.02 -0.35 -0.83 112.91 115.46 2kkp h THR 18 Ca 0.04 -0.81 -0.12 0.00 0.77 0.00 0.00 66.41 66.30 2kkp h THR 18 Cb 0.19 1.67 0.01 0.00 -1.74 0.00 0.00 68.15 68.27 2kkp h THR 18 CO 0.01 0.22 -0.48 -0.78 0.37 0.00 0.00 175.52 174.86 2kkp h ASP 19 N -0.17 0.34 -0.06 4.18 3.58 -1.08 -3.26 116.42 119.94 2kkp h ASP 19 Ca 0.02 -0.86 0.00 0.00 0.42 0.00 0.00 57.03 56.60 2kkp h ASP 19 Cb 0.36 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.30 2kkp h ASP 19 CO 0.00 1.17 0.00 -1.22 -2.88 0.00 0.00 179.24 176.32 2kkp n TYR 20 N -4.33 0.08 0.09 0.28 4.02 0.58 -3.87 117.16 114.02 2kkp n TYR 20 Ca -0.11 -0.04 -0.13 0.00 -0.01 0.00 0.00 57.90 57.61 2kkp n TYR 20 Cb 0.65 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.91 2kkp n TYR 20 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2kkp h ALA 21 N 3.51 -0.57 -5.35 -0.72 0.00 -1.19 -3.48 119.26 111.46 2kkp h ALA 21 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2kkp h ALA 21 Cb 0.13 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2kkp h ALA 21 CO 0.00 -0.89 -1.09 1.17 0.00 0.00 0.00 179.25 178.45 2kkp n LYS 22 N -5.43 -3.18 -0.12 0.00 3.00 -1.25 -4.85 118.16 106.33 2kkp n LYS 22 Ca -0.06 2.58 -0.03 0.00 -0.00 0.00 0.00 58.31 60.80 2kkp n LYS 22 Cb 0.34 -4.41 -0.03 0.00 0.00 0.00 0.00 35.03 30.93 2kkp n LYS 22 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 2kkp n PRO 23 N 1.14 -0.12 -1.15 1.64 -0.02 -1.26 -4.91 135.00 130.31 2kkp n PRO 23 Ca -0.10 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2kkp n PRO 23 Cb 0.23 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 2kkp n PRO 23 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 2kkp n HIS 24 N -3.58 -3.18 -3.67 6.00 -0.00 -1.26 -4.92 115.22 104.61 2kkp n HIS 24 Ca 0.01 1.70 -0.36 0.00 0.46 0.00 0.00 57.72 59.53 2kkp n HIS 24 Cb 0.07 -2.81 -0.07 0.00 -0.12 0.00 0.00 29.99 27.07 2kkp n HIS 24 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2kkp s LEU 25 N -3.63 4.30 0.07 0.27 1.02 -1.26 -4.99 118.68 114.46 2kkp s LEU 25 Ca 0.00 0.49 0.00 0.00 0.02 0.00 0.00 54.13 54.64 2kkp s LEU 25 Cb 0.00 -2.25 0.00 0.00 0.02 0.00 0.00 46.19 43.96 2kkp s LEU 25 CO 0.00 0.23 0.00 0.54 0.02 0.00 0.00 176.35 177.14 2kkp n ARG 26 N 2.93 -0.55 -2.05 1.70 1.74 -1.26 -5.07 116.66 114.09 2kkp n ARG 26 Ca -0.15 0.39 -0.01 0.00 -0.77 0.00 0.00 57.85 57.31 2kkp n ARG 26 Cb 0.53 -0.67 -0.01 0.00 -1.02 0.00 0.00 32.46 31.29 2kkp n ARG 26 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2kkp n GLN 27 N -2.18 -1.87 0.00 5.56 1.13 -1.26 -4.97 117.38 113.79 2kkp n GLN 27 Ca -0.00 1.71 0.11 0.00 -1.94 0.00 0.00 57.00 56.88 2kkp n GLN 27 Cb 0.12 -3.03 0.04 0.00 0.11 0.00 0.00 30.24 27.49 2kkp n GLN 27 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2kkp n SER 28 N 0.51 0.78 -0.01 1.08 7.64 -1.26 -4.30 113.62 118.07 2kkp n SER 28 Ca -0.08 -0.67 0.07 0.00 1.01 0.00 0.00 58.87 59.20 2kkp n SER 28 Cb 0.12 0.68 0.46 0.00 -1.01 0.00 0.00 64.21 64.46 2kkp n SER 28 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2kkp h THR 29 N 0.00 1.04 0.00 0.44 2.02 -2.03 -1.69 112.91 112.68 2kkp h THR 29 Ca 0.00 -0.16 -0.06 0.00 0.77 0.00 0.00 66.41 66.95 2kkp h THR 29 Cb 0.50 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 2kkp h THR 29 CO 0.00 0.09 -0.30 -0.25 0.37 0.00 0.00 175.52 175.43 2kkp h TRP 30 N 0.48 0.00 0.00 3.16 7.01 -1.97 -2.44 115.95 122.18 2kkp h TRP 30 Ca 0.18 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.18 2kkp h TRP 30 Cb 0.12 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.18 2kkp h TRP 30 CO -0.00 0.30 0.00 0.39 -2.79 0.00 0.00 178.44 176.34 2kkp n GLU 31 N -3.79 0.12 -0.05 2.65 1.02 -0.64 -1.48 120.64 118.47 2kkp n GLU 31 Ca -0.01 0.37 -0.05 0.00 -0.02 0.00 0.00 57.16 57.45 2kkp n GLU 31 Cb 0.39 -1.73 0.16 0.00 -0.02 0.00 0.00 31.44 30.24 2kkp n GLU 31 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 2kkp h SER 32 N 0.00 0.66 -0.19 1.62 0.02 -1.54 -1.84 113.55 112.28 2kkp h SER 32 Ca 0.00 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 60.74 2kkp h SER 32 Cb 0.31 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2kkp h SER 32 CO 0.00 0.82 0.06 1.88 -1.14 0.00 0.00 176.83 178.45 2kkp h TYR 33 N 0.60 0.30 -0.78 3.45 -1.99 -1.44 -0.97 116.97 116.15 2kkp h TYR 33 Ca 0.10 -0.03 0.06 0.00 2.00 0.00 0.00 58.73 60.86 2kkp h TYR 33 Cb 0.59 -0.09 -0.06 0.00 2.00 0.00 0.00 36.73 39.18 2kkp h TYR 33 CO 0.03 0.39 0.47 1.49 -0.00 0.00 0.00 178.16 180.54 2kkp h GLU 34 N 0.13 0.84 -0.06 4.88 4.22 -1.55 -1.89 114.58 121.14 2kkp h GLU 34 Ca 0.06 -0.05 -0.05 0.00 0.08 0.00 0.00 59.36 59.40 2kkp h GLU 34 Cb 0.23 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2kkp h GLU 34 CO -0.00 0.56 -0.17 1.15 -2.18 0.00 0.00 179.01 178.37 2kkp h THR 35 N 0.87 1.43 -0.61 0.32 2.02 -1.14 -1.80 112.91 114.00 2kkp h THR 35 Ca 0.34 -1.54 -0.09 0.00 0.77 0.00 0.00 66.41 65.89 2kkp h THR 35 Cb 0.16 2.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.84 2kkp h THR 35 CO -0.17 0.43 0.01 -0.37 0.37 0.00 0.00 175.52 175.79 2kkp h VAL 36 N -0.29 1.26 0.47 3.16 -1.51 -1.06 0.38 116.25 118.66 2kkp h VAL 36 Ca -0.00 -1.13 -0.02 0.00 -1.23 0.00 0.00 66.70 64.31 2kkp h VAL 36 Cb 0.78 0.78 0.00 0.00 -2.13 0.00 0.00 31.29 30.72 2kkp h VAL 36 CO 0.04 0.41 -0.23 -0.07 -1.23 0.00 0.00 177.57 176.49 2kkp h LEU 37 N 0.97 -0.54 -0.39 4.19 3.38 -1.41 -1.91 115.31 119.60 2kkp h LEU 37 Ca 0.18 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.22 2kkp h LEU 37 Cb 0.54 0.14 -0.09 0.00 0.09 0.00 0.00 40.66 41.33 2kkp h LEU 37 CO 0.03 -0.36 -0.36 -0.09 0.09 0.00 0.00 178.44 177.74 2kkp h ARG 38 N -0.66 -0.28 -0.57 1.13 2.43 -1.09 -1.49 114.38 113.85 2kkp h ARG 38 Ca -0.06 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 2kkp h ARG 38 Cb 0.50 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 2kkp h ARG 38 CO 0.11 -0.18 0.28 1.25 -1.51 0.00 0.00 179.97 179.92 2kkp h LEU 39 N -0.29 0.71 0.02 3.80 5.85 -0.09 -2.95 115.31 122.36 2kkp h LEU 39 Ca 0.16 -0.06 -0.39 0.00 0.84 0.00 0.00 57.88 58.43 2kkp h LEU 39 Cb 0.56 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.35 2kkp h LEU 39 CO -0.55 0.59 -2.39 0.00 -0.34 0.00 0.00 178.44 175.75 2kkp n HIS 40 N -4.37 0.22 -0.09 1.25 1.44 -0.73 -4.71 115.22 108.23 2kkp n HIS 40 Ca 0.05 0.05 -0.09 0.00 -2.01 0.00 0.00 57.72 55.72 2kkp n HIS 40 Cb 0.12 -1.03 -0.14 0.00 0.12 0.00 0.00 29.99 29.06 2kkp n HIS 40 CO 0.00 0.00 0.00 1.55 -2.81 0.00 0.00 176.34 175.08 2kkp n VAL 41 N -3.34 1.22 0.28 0.61 3.14 -0.59 -4.25 118.33 115.40 2kkp n VAL 41 Ca -0.44 -0.75 -0.16 0.00 -2.96 0.00 0.00 64.34 60.03 2kkp n VAL 41 Cb 0.99 -0.54 -0.08 0.00 -1.06 0.00 0.00 33.84 33.15 2kkp n VAL 41 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 2kkp h ILE 42 N 0.00 0.49 0.00 1.55 2.04 -1.61 0.27 117.51 120.24 2kkp h ILE 42 Ca -0.48 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.22 2kkp h ILE 42 Cb 2.09 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.73 2kkp h ILE 42 CO 0.02 0.03 0.00 -0.81 0.00 0.00 0.00 178.15 177.39 2kkp n PRO 43 N -5.34 0.05 -0.03 2.37 -0.04 -1.26 -2.04 135.00 128.71 2kkp n PRO 43 Ca -0.12 0.27 -0.03 0.00 -0.04 0.00 0.00 63.50 63.59 2kkp n PRO 43 Cb 0.30 -1.59 -0.01 0.00 -0.04 0.00 0.00 33.50 32.16 2kkp n PRO 43 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2kkp n THR 44 N -1.68 0.50 0.13 0.52 -2.24 -1.02 -4.81 114.28 105.68 2kkp n THR 44 Ca 0.03 0.36 0.05 0.00 -2.27 0.00 0.00 64.05 62.22 2kkp n THR 44 Cb 0.20 -1.74 0.08 0.00 -2.10 0.00 0.00 70.33 66.77 2kkp n THR 44 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2kkp n LEU 45 N -3.14 2.27 -0.18 3.22 4.77 0.76 -4.61 117.00 120.09 2kkp n LEU 45 Ca -0.04 -1.49 -0.01 0.00 -0.03 0.00 0.00 56.01 54.43 2kkp n LEU 45 Cb 0.16 -0.10 0.21 0.00 -2.33 0.00 0.00 43.42 41.36 2kkp n LEU 45 CO 0.07 0.52 1.11 1.23 -1.33 0.00 0.00 177.39 178.98 2kkp h GLY 46 N 1.76 1.00 1.04 -0.72 0.00 -0.45 -1.19 103.07 104.52 2kkp h GLY 46 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2kkp h GLY 46 CO 0.00 0.45 0.00 -1.26 0.00 0.00 0.00 176.54 175.73 2kkp n SER 47 N -4.34 0.00 -4.77 0.19 2.88 -1.26 -0.85 113.62 105.47 2kkp n SER 47 Ca 0.06 -0.93 -0.38 0.00 -1.33 0.00 0.00 58.87 56.30 2kkp n SER 47 Cb 0.13 -0.02 -0.06 0.00 -0.75 0.00 0.00 64.21 63.51 2kkp n SER 47 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2kkp s ILE 48 N -2.04 5.10 0.45 2.46 1.01 -0.45 -4.86 121.20 122.88 2kkp s ILE 48 Ca 0.46 0.89 -0.25 0.00 0.00 0.00 0.00 60.65 61.76 2kkp s ILE 48 Cb 0.22 -3.77 -0.08 0.00 0.01 0.00 0.00 42.46 38.84 2kkp s ILE 48 CO 0.37 0.45 1.35 -2.84 0.00 0.00 0.00 174.94 174.27 2kkp s PRO 49 N -0.19 3.69 0.55 2.79 0.02 -1.26 -0.91 135.00 139.69 2kkp s PRO 49 Ca 0.24 2.23 0.24 0.00 0.02 0.00 0.00 61.00 63.74 2kkp s PRO 49 Cb -0.16 -2.59 1.48 0.00 0.02 0.00 0.00 34.50 33.25 2kkp s PRO 49 CO 0.12 -0.75 2.09 -0.07 -0.33 0.00 0.00 177.00 178.06 2kkp h LEU 50 N 2.26 0.00 -0.36 -5.54 3.38 -0.28 0.21 115.31 114.99 2kkp h LEU 50 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2kkp h LEU 50 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2kkp h LEU 50 CO 0.61 0.00 0.00 0.11 0.09 0.00 0.00 178.44 179.25 2kkp h LYS 51 N 0.00 0.00 -0.01 1.13 1.79 -1.91 -3.02 116.57 114.54 2kkp h LYS 51 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 2kkp h LYS 51 Cb 0.48 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 2kkp h LYS 51 CO -0.00 0.00 -0.32 1.17 -1.08 0.00 0.00 179.45 179.22 2kkp n LYS 52 N -2.58 1.56 -2.27 3.15 0.00 0.03 -4.88 118.16 113.17 2kkp n LYS 52 Ca 0.04 -1.00 -0.40 0.00 0.00 0.00 0.00 58.31 56.95 2kkp n LYS 52 Cb 0.39 -1.34 -0.03 0.00 0.00 0.00 0.00 35.03 34.05 2kkp n LYS 52 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2kkp s LEU 53 N -2.07 3.30 0.26 3.14 1.98 -1.02 -4.98 118.68 119.29 2kkp s LEU 53 Ca 0.16 0.18 0.06 0.00 -2.89 0.00 0.00 54.13 51.64 2kkp s LEU 53 Cb 0.15 -2.75 -0.03 0.00 0.66 0.00 0.00 46.19 44.22 2kkp s LEU 53 CO 0.42 -2.00 0.34 -1.10 -1.89 0.00 0.00 176.35 172.11 2kkp s GLN 54 N 6.17 3.24 0.50 1.98 -0.21 -1.26 -4.85 119.66 125.23 2kkp s GLN 54 Ca 0.55 -0.89 0.16 0.00 0.02 0.00 0.00 55.36 55.19 2kkp s GLN 54 Cb -0.11 -2.78 1.20 0.00 1.00 0.00 0.00 33.01 32.32 2kkp s GLN 54 CO 0.21 0.35 2.11 -1.35 -2.12 0.00 0.00 175.29 174.49 2kkp h PRO 55 N 1.20 0.00 -0.53 2.91 0.11 -1.89 -2.55 132.00 131.25 2kkp h PRO 55 Ca -0.50 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 2kkp h PRO 55 Cb 1.24 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 2kkp h PRO 55 CO 0.60 0.04 -0.10 0.00 -0.21 0.00 0.00 178.00 178.33 2kkp h ALA 56 N 1.96 0.81 -0.59 -0.75 0.00 -1.89 0.62 119.26 119.41 2kkp h ALA 56 Ca -0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 2kkp h ALA 56 Cb 0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2kkp h ALA 56 CO 0.01 0.66 0.01 -0.44 0.00 0.00 0.00 179.25 179.48 2kkp h ASP 57 N 0.89 1.02 -0.43 0.00 3.32 -1.85 -0.55 116.42 118.82 2kkp h ASP 57 Ca 0.14 -0.30 -0.08 0.00 0.02 0.00 0.00 57.03 56.81 2kkp h ASP 57 Cb 0.65 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 2kkp h ASP 57 CO 0.05 1.08 -0.03 0.40 -1.72 0.00 0.00 179.24 179.01 2kkp h ILE 58 N 0.94 1.27 -0.63 0.35 2.04 -1.29 -1.76 117.51 118.41 2kkp h ILE 58 Ca 0.17 -1.09 -0.04 0.00 1.00 0.00 0.00 64.86 64.90 2kkp h ILE 58 Cb 0.55 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 2kkp h ILE 58 CO 0.03 0.37 0.22 -0.61 0.00 0.00 0.00 178.15 178.17 2kkp h GLN 59 N 0.62 0.95 -0.62 2.37 -0.00 -0.70 -2.25 115.11 115.47 2kkp h GLN 59 Ca 0.12 -0.17 -0.04 0.00 -0.00 0.00 0.00 58.65 58.56 2kkp h GLN 59 Cb 0.54 -0.15 -0.03 0.00 0.00 0.00 0.00 27.48 27.83 2kkp h GLN 59 CO 0.03 0.79 0.23 -0.09 0.00 0.00 0.00 178.83 179.80 2kkp h ARG 60 N 0.92 0.94 -0.22 1.69 2.43 -0.90 -1.10 114.38 118.15 2kkp h ARG 60 Ca 0.21 -0.18 0.04 0.00 -0.81 0.00 0.00 59.98 59.24 2kkp h ARG 60 Cb 0.22 -0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 29.55 2kkp h ARG 60 CO -0.01 0.81 -0.52 1.25 -1.51 0.00 0.00 179.97 179.98 2kkp h LEU 61 N 0.88 -1.68 0.29 3.80 6.46 -0.73 0.19 115.31 124.51 2kkp h LEU 61 Ca 0.21 0.21 -0.00 0.00 -0.12 0.00 0.00 57.88 58.17 2kkp h LEU 61 Cb 0.23 0.67 -0.01 0.00 -0.73 0.00 0.00 40.66 40.82 2kkp h LEU 61 CO -0.01 -0.45 -0.24 1.88 -0.62 0.00 0.00 178.44 179.00 2kkp h TYR 62 N -0.51 -0.63 -0.47 1.25 0.05 -1.34 -2.79 116.97 112.53 2kkp h TYR 62 Ca 0.06 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.89 2kkp h TYR 62 Cb 0.65 0.24 -0.05 0.00 1.01 0.00 0.00 36.73 38.58 2kkp h TYR 62 CO -0.61 -0.36 0.20 0.00 -1.05 0.00 0.00 178.16 176.35 2kkp h ALA 63 N 0.11 0.58 -0.01 3.88 0.00 -0.80 0.23 119.26 123.25 2kkp h ALA 63 Ca -0.02 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2kkp h ALA 63 Cb 0.48 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2kkp h ALA 63 CO -0.02 -0.17 0.00 0.77 0.00 0.00 0.00 179.25 179.83 2kkp h SER 64 N 0.40 0.02 1.64 0.00 0.02 -0.60 -2.33 113.55 112.70 2kkp h SER 64 Ca 0.21 -0.27 -0.06 0.00 -0.84 0.00 0.00 61.79 60.84 2kkp h SER 64 Cb 0.17 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2kkp h SER 64 CO -0.18 0.28 -0.26 0.50 -1.14 0.00 0.00 176.83 176.03 2kkp h LYS 65 N -0.25 0.00 -0.46 3.45 3.64 -1.35 -2.91 116.57 118.68 2kkp h LYS 65 Ca 0.00 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2kkp h LYS 65 Cb 0.28 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 2kkp h LYS 65 CO 0.00 0.26 0.28 1.25 -2.27 0.00 0.00 179.45 178.98 2kkp h LEU 66 N 0.00 0.47 -1.99 5.20 5.85 -0.44 -0.66 115.31 123.74 2kkp h LEU 66 Ca -0.00 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 2kkp h LEU 66 Cb 1.16 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 2kkp h LEU 66 CO 0.03 0.34 -0.09 -0.08 -0.34 0.00 0.00 178.44 178.30 2kkp h GLU 67 N 0.57 0.00 0.01 1.25 4.81 -1.23 -2.53 114.58 117.46 2kkp h GLU 67 Ca 0.18 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.34 2kkp h GLU 67 Cb -0.01 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.37 2kkp h GLU 67 CO -0.07 0.09 -0.27 1.03 -0.73 0.00 0.00 179.01 179.06 2kkp h SER 68 N 0.00 0.22 0.00 1.04 0.87 -1.18 -3.47 113.55 111.03 2kkp h SER 68 Ca -0.00 -0.82 0.00 0.00 -1.23 0.00 0.00 61.79 59.74 2kkp h SER 68 Cb 0.32 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 2kkp h SER 68 CO 0.01 1.01 0.00 0.61 -0.53 0.00 0.00 176.83 177.93 2kkp n GLY 69 N 1.16 -0.72 3.78 5.77 0.00 -0.35 -5.12 105.19 109.72 2kkp n GLY 69 Ca -0.10 0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 2kkp n GLY 69 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kkp s LEU 70 N 0.00 4.28 0.40 0.99 1.43 -1.10 -4.97 118.68 119.72 2kkp s LEU 70 Ca 0.00 0.39 -0.26 0.00 -1.03 0.00 0.00 54.13 53.23 2kkp s LEU 70 Cb 0.00 -2.16 -0.08 0.00 0.03 0.00 0.00 46.19 43.98 2kkp s LEU 70 CO 0.00 0.24 1.24 -0.44 0.23 0.00 0.00 176.35 177.62 2kkp s SER 71 N -0.11 6.41 0.40 2.29 0.01 -1.26 -4.86 113.70 116.58 2kkp s SER 71 Ca 0.12 2.50 0.14 0.00 1.31 0.00 0.00 55.95 60.03 2kkp s SER 71 Cb -0.12 -2.63 0.99 0.00 0.21 0.00 0.00 66.02 64.47 2kkp s SER 71 CO 0.02 -0.77 1.87 1.55 0.41 0.00 0.00 173.24 176.32 2kkp h PRO 72 N 2.66 0.49 -0.48 12.44 0.13 -1.98 0.38 132.00 145.63 2kkp h PRO 72 Ca -0.49 -0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 64.52 2kkp h PRO 72 Cb 1.24 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 2kkp h PRO 72 CO 0.62 0.32 -0.04 1.79 -0.23 0.00 0.00 178.00 180.47 2kkp h THR 73 N 0.51 1.27 -0.61 1.56 1.35 -2.00 -2.82 112.91 112.16 2kkp h THR 73 Ca 0.45 -1.14 -0.05 0.00 -0.55 0.00 0.00 66.41 65.12 2kkp h THR 73 Cb 0.96 1.03 -0.03 0.00 -1.73 0.00 0.00 68.15 68.39 2kkp h THR 73 CO -0.18 0.40 0.19 0.03 -0.25 0.00 0.00 175.52 175.71 2kkp h ARG 74 N 0.74 0.93 -0.85 4.72 2.47 -1.33 0.15 114.38 121.20 2kkp h ARG 74 Ca 0.13 -0.18 0.01 0.00 -1.26 0.00 0.00 59.98 58.69 2kkp h ARG 74 Cb 0.57 -0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 28.70 2kkp h ARG 74 CO 0.03 0.79 0.56 0.28 0.56 0.00 0.00 179.97 182.20 2kkp h VAL 75 N 0.90 1.20 -0.16 2.04 2.07 -1.16 0.13 116.25 121.28 2kkp h VAL 75 Ca 0.20 -0.39 -0.20 0.00 0.82 0.00 0.00 66.70 67.13 2kkp h VAL 75 Cb 0.25 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 2kkp h VAL 75 CO -0.01 0.21 -0.71 0.03 0.02 0.00 0.00 177.57 177.10 2kkp h ARG 76 N 1.13 0.68 0.06 1.57 3.08 -1.13 -2.17 114.38 117.61 2kkp h ARG 76 Ca 0.32 -0.53 -0.00 0.00 0.07 0.00 0.00 59.98 59.84 2kkp h ARG 76 Cb -0.10 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2kkp h ARG 76 CO -0.08 1.15 -0.03 -0.92 -1.07 0.00 0.00 179.97 179.02 2kkp h TYR 77 N 0.48 -0.07 -0.55 3.04 3.20 -0.26 0.31 116.97 123.12 2kkp h TYR 77 Ca -0.03 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.89 2kkp h TYR 77 Cb 1.32 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.58 2kkp h TYR 77 CO 0.07 0.18 0.36 0.82 -1.64 0.00 0.00 178.16 177.96 2kkp h ILE 78 N -0.32 1.00 -0.03 1.81 2.04 -0.82 -0.43 117.51 120.74 2kkp h ILE 78 Ca -0.01 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 2kkp h ILE 78 Cb 0.29 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 2kkp h ILE 78 CO 0.01 0.10 -0.04 -0.74 0.00 0.00 0.00 178.15 177.48 2kkp h HIS 79 N 0.52 0.11 -0.29 1.37 2.76 -0.89 -2.33 115.15 116.39 2kkp h HIS 79 Ca 0.24 -0.03 -0.15 0.00 -2.20 0.00 0.00 60.37 58.22 2kkp h HIS 79 Cb 0.27 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.20 2kkp h HIS 79 CO -0.00 0.56 -0.42 -0.24 -1.30 0.00 0.00 177.93 176.54 2kkp h VAL 80 N -0.38 1.29 -0.13 5.26 3.04 -0.04 0.45 116.25 125.74 2kkp h VAL 80 Ca 0.01 -1.60 -0.13 0.00 -1.01 0.00 0.00 66.70 63.97 2kkp h VAL 80 Cb 0.55 1.51 -0.01 0.00 -2.01 0.00 0.00 31.29 31.33 2kkp h VAL 80 CO 0.01 0.52 -0.47 1.62 -1.01 0.00 0.00 177.57 178.23 2kkp h VAL 81 N 0.59 1.33 -0.22 1.51 3.04 -1.17 -1.21 116.25 120.11 2kkp h VAL 81 Ca 0.04 -1.68 -0.20 0.00 -1.01 0.00 0.00 66.70 63.86 2kkp h VAL 81 Cb 0.96 1.75 0.00 0.00 -2.01 0.00 0.00 31.29 31.99 2kkp h VAL 81 CO 0.09 0.51 -0.65 0.25 -1.01 0.00 0.00 177.57 176.76 2kkp h LEU 82 N 0.27 0.90 -1.82 3.16 5.85 -1.20 -1.38 115.31 121.10 2kkp h LEU 82 Ca 0.02 -0.53 -0.03 0.00 0.84 0.00 0.00 57.88 58.18 2kkp h LEU 82 Cb 0.93 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 2kkp h LEU 82 CO 0.08 1.32 -0.15 -0.74 -0.34 0.00 0.00 178.44 178.61 2kkp h HIS 83 N 0.58 0.00 0.00 1.25 2.76 -0.66 0.14 115.15 119.22 2kkp h HIS 83 Ca -0.01 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.14 2kkp h HIS 83 Cb 1.25 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.21 2kkp h HIS 83 CO 0.07 0.15 -0.08 1.49 -1.30 0.00 0.00 177.93 178.25 2kkp h GLU 84 N 0.00 0.00 0.17 5.26 4.57 -0.98 -3.33 114.58 120.26 2kkp h GLU 84 Ca -0.00 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.84 2kkp h GLU 84 Cb 0.33 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 2kkp h GLU 84 CO 0.02 0.91 -1.74 0.00 -1.18 0.00 0.00 179.01 177.03 2kkp h ALA 85 N -0.12 0.20 0.00 2.92 0.00 -1.16 -3.37 119.26 117.73 2kkp h ALA 85 Ca -0.02 -1.17 -0.15 0.00 0.00 0.00 0.00 54.91 53.56 2kkp h ALA 85 Cb 0.94 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 2kkp h ALA 85 CO -0.01 1.03 -0.72 1.98 0.00 0.00 0.00 179.25 181.53 2kkp h MET 86 N 0.03 0.00 0.00 0.00 1.85 -0.93 -2.74 114.93 113.15 2kkp h MET 86 Ca -0.35 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.74 2kkp h MET 86 Cb 2.03 0.00 0.00 0.00 0.43 0.00 0.00 31.60 34.06 2kkp h MET 86 CO 0.14 0.72 0.00 0.77 -0.40 0.00 0.00 176.91 178.15 2kkp h SER 87 N 0.00 0.00 0.84 1.39 0.02 -1.67 -0.93 113.55 113.19 2kkp h SER 87 Ca -0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 2kkp h SER 87 Cb 1.33 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.87 2kkp h SER 87 CO 0.09 0.00 -0.04 1.56 -1.14 0.00 0.00 176.83 177.30 2kkp h GLN 88 N 0.00 0.00 -0.20 3.45 4.20 -1.64 -1.85 115.11 119.07 2kkp h GLN 88 Ca 0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 2kkp h GLN 88 Cb 0.33 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 2kkp h GLN 88 CO 0.00 0.04 -0.27 0.00 -0.67 0.00 0.00 178.83 177.93 2kkp h ALA 89 N 1.96 1.17 -0.35 3.87 0.00 -1.32 0.30 119.26 124.89 2kkp h ALA 89 Ca -0.00 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 2kkp h ALA 89 Cb 0.47 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2kkp h ALA 89 CO 0.01 0.53 -0.05 -0.09 0.00 0.00 0.00 179.25 179.65 2kkp h ARG 90 N 0.33 0.65 0.00 0.00 2.43 -1.47 -2.54 114.38 113.78 2kkp h ARG 90 Ca 0.05 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 2kkp h ARG 90 Cb 0.65 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 2kkp h ARG 90 CO 0.05 0.79 0.00 0.93 -1.51 0.00 0.00 179.97 180.23 2kkp h GLU 91 N 0.45 0.00 0.00 0.20 5.08 -1.20 -2.14 114.58 116.97 2kkp h GLU 91 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2kkp h GLU 91 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2kkp h GLU 91 CO 0.03 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.47 2kkp n SER 92 N -2.81 0.33 0.00 1.42 7.64 0.10 -4.88 113.62 115.42 2kkp n SER 92 Ca 0.03 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.47 2kkp n SER 92 Cb 0.39 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 2kkp n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kkp n GLY 93 N 0.53 0.24 0.09 0.23 0.00 -0.80 -4.96 105.19 100.52 2kkp n GLY 93 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 2kkp n GLY 93 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2kkp h LEU 94 N 0.00 0.16 -9.18 0.99 -0.00 -1.62 -3.46 115.31 102.19 2kkp h LEU 94 Ca 0.00 -0.78 -0.67 0.00 -0.00 0.00 0.00 57.88 56.43 2kkp h LEU 94 Cb 0.00 -0.05 -0.17 0.00 -0.00 0.00 0.00 40.66 40.44 2kkp h LEU 94 CO 0.00 0.91 -0.76 -0.22 -0.00 0.00 0.00 178.44 178.37 2kkp s LEU 95 N -8.55 2.90 -0.19 1.67 2.96 -1.10 -4.92 118.68 111.45 2kkp s LEU 95 Ca -0.16 -0.44 0.16 0.00 -0.22 0.00 0.00 54.13 53.47 2kkp s LEU 95 Cb 0.00 -1.71 -0.23 0.00 0.50 0.00 0.00 46.19 44.74 2kkp s LEU 95 CO 0.72 0.19 0.05 0.00 -1.32 0.00 0.00 176.35 175.99 2kkp n LEU 96 N 0.81 0.15 -4.94 -0.68 -0.00 -1.26 -4.23 117.00 106.85 2kkp n LEU 96 Ca -0.14 -0.01 -0.19 0.00 -0.00 0.00 0.00 56.01 55.67 2kkp n LEU 96 Cb 0.52 0.41 -0.01 0.00 -0.00 0.00 0.00 43.42 44.34 2kkp n LEU 96 CO 0.31 0.50 0.04 -1.10 -0.00 0.00 0.00 177.39 177.14 2kkp s GLN 97 N -2.47 2.80 -0.49 1.47 -0.21 -1.26 -5.06 119.66 114.44 2kkp s GLN 97 Ca -0.11 -1.27 -0.00 0.00 0.02 0.00 0.00 55.36 54.00 2kkp s GLN 97 Cb 0.06 -2.62 0.13 0.00 1.00 0.00 0.00 33.01 31.58 2kkp s GLN 97 CO 0.78 -0.10 0.27 0.54 -2.12 0.00 0.00 175.29 174.66 2kkp s ASN 98 N -4.18 4.96 0.43 5.90 4.22 -1.26 -4.81 114.94 120.20 2kkp s ASN 98 Ca 0.48 -2.54 0.24 0.00 -2.14 0.00 0.00 52.86 48.90 2kkp s ASN 98 Cb -0.07 -1.76 0.74 0.00 1.28 0.00 0.00 41.25 41.44 2kkp s ASN 98 CO 0.30 -0.39 1.75 -0.65 -2.04 0.00 0.00 177.10 176.07 2kkp h PRO 99 N 7.30 0.00 -0.20 3.55 0.11 -1.93 -3.19 132.00 137.64 2kkp h PRO 99 Ca -0.07 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.91 2kkp h PRO 99 Cb 0.98 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 2kkp h PRO 99 CO 0.67 0.19 -0.44 1.79 -0.21 0.00 0.00 178.00 180.00 2kkp h THR 100 N 0.00 1.31 -0.01 -1.15 1.35 -1.92 -2.32 112.91 110.16 2kkp h THR 100 Ca -0.00 -1.63 -0.22 0.00 -0.55 0.00 0.00 66.41 64.01 2kkp h THR 100 Cb 0.86 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 2kkp h THR 100 CO 0.03 0.51 -0.90 -0.08 -0.25 0.00 0.00 175.52 174.82 2kkp h GLU 101 N 0.40 0.39 -0.29 4.72 4.57 -1.94 -3.23 114.58 119.21 2kkp h GLU 101 Ca 0.03 -0.41 0.00 0.00 -1.18 0.00 0.00 59.36 57.80 2kkp h GLU 101 Cb 0.93 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.64 2kkp h GLU 101 CO 0.08 1.07 0.00 0.00 -1.18 0.00 0.00 179.01 178.98 2kkp n ALA 102 N -2.53 2.47 -2.85 2.92 0.00 -1.12 -4.66 120.51 114.75 2kkp n ALA 102 Ca -0.06 -0.58 -0.43 0.00 0.00 0.00 0.00 53.44 52.37 2kkp n ALA 102 Cb 0.81 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.23 2kkp n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kkp s ALA 103 N -1.62 3.22 -0.02 0.00 0.00 -0.89 -4.79 121.76 117.66 2kkp s ALA 103 Ca 0.26 -2.63 0.02 0.00 0.00 0.00 0.00 51.96 49.61 2kkp s ALA 103 Cb 0.14 -4.14 0.00 0.00 0.00 0.00 0.00 23.12 19.12 2kkp s ALA 103 CO 0.19 -3.10 -0.07 0.21 0.00 0.00 0.00 175.76 172.99 2kkp s LYS 104 N 3.20 0.75 -0.29 0.00 2.20 -1.26 -4.86 119.74 119.47 2kkp s LYS 104 Ca 0.35 -0.23 -0.28 0.00 -0.36 0.00 0.00 55.97 55.44 2kkp s LYS 104 Cb -0.04 -0.72 -0.02 0.00 -1.51 0.00 0.00 37.83 35.53 2kkp s LYS 104 CO -0.09 0.09 1.83 -1.25 -0.36 0.00 0.00 175.35 175.57 2kkp s PRO 105 N 0.18 3.39 0.06 4.03 0.04 -1.26 -4.89 135.00 136.54 2kkp s PRO 105 Ca -0.02 1.56 -0.12 0.00 0.04 0.00 0.00 61.00 62.45 2kkp s PRO 105 Cb -0.07 -4.20 -0.29 0.00 0.04 0.00 0.00 34.50 29.98 2kkp s PRO 105 CO 0.00 -1.80 1.11 -1.35 0.04 0.00 0.00 177.00 175.00 2kkp h PRO 106 N 12.83 0.54 -6.19 0.56 0.11 -1.99 -3.48 132.00 134.37 2kkp h PRO 106 Ca -0.35 -0.77 -0.31 0.00 0.11 0.00 0.00 66.00 64.68 2kkp h PRO 106 Cb 1.18 0.26 0.02 0.00 0.11 0.00 0.00 31.00 32.57 2kkp h PRO 106 CO 1.02 1.35 -0.69 0.54 -0.21 0.00 0.00 178.00 180.00 2kkp n ARG 107 N -3.73 -1.38 -3.95 1.05 1.74 -1.26 -5.01 116.66 104.12 2kkp n ARG 107 Ca -0.13 0.94 -0.13 0.00 -0.77 0.00 0.00 57.85 57.76 2kkp n ARG 107 Cb 1.01 -3.82 -0.14 0.00 -1.02 0.00 0.00 32.46 28.49 2kkp n ARG 107 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2kkp s HIS 108 N -3.09 0.13 0.45 -1.55 3.76 -1.26 -5.02 115.29 108.71 2kkp s HIS 108 Ca 0.10 -0.02 0.14 0.00 -0.15 0.00 0.00 55.06 55.12 2kkp s HIS 108 Cb -0.04 -0.09 1.07 0.00 1.11 0.00 0.00 32.58 34.63 2kkp s HIS 108 CO 0.84 -0.00 2.02 -1.00 -0.85 0.00 0.00 174.74 175.75 2kkp h PRO 109 N 6.14 0.33 -6.35 8.40 0.13 -2.04 -3.38 132.00 135.23 2kkp h PRO 109 Ca -0.26 -0.02 -0.57 0.00 -0.87 0.00 0.00 66.00 64.29 2kkp h PRO 109 Cb 1.20 -0.07 -0.09 0.00 0.13 0.00 0.00 31.00 32.17 2kkp h PRO 109 CO 0.51 0.22 0.87 -0.51 -0.23 0.00 0.00 178.00 178.86 2kkp s LEU 110 N -9.27 3.60 -1.16 1.56 1.43 -1.26 -4.95 118.68 108.63 2kkp s LEU 110 Ca -0.07 -0.10 -0.17 0.00 -1.03 0.00 0.00 54.13 52.77 2kkp s LEU 110 Cb 0.19 -3.00 0.13 0.00 0.03 0.00 0.00 46.19 43.54 2kkp s LEU 110 CO 0.73 -1.46 1.45 -0.70 0.23 0.00 0.00 176.35 176.60 2kkp s GLU 111 N 4.77 3.92 0.30 1.70 2.12 -1.26 -4.88 118.70 125.37 2kkp s GLU 111 Ca 0.38 -2.14 0.00 0.00 0.36 0.00 0.00 54.97 53.57 2kkp s GLU 111 Cb -0.09 -5.17 0.00 0.00 0.26 0.00 0.00 34.13 29.13 2kkp s GLU 111 CO 0.22 -1.93 0.00 0.72 -0.54 0.00 0.00 175.26 173.74 2kkp n HIS 112 N 6.79 -2.43 -3.83 5.30 8.25 -1.26 -4.81 115.22 123.22 2kkp n HIS 112 Ca 0.37 1.27 -0.30 0.00 -0.26 0.00 0.00 57.72 58.79 2kkp n HIS 112 Cb 0.46 -2.21 -0.14 0.00 1.12 0.00 0.00 29.99 29.21 2kkp n HIS 112 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kkp s HIS 113 N -2.65 2.51 0.04 4.41 2.46 -1.26 -5.10 115.29 115.71 2kkp s HIS 113 Ca 0.00 -2.43 -0.30 0.00 0.47 0.00 0.00 55.06 52.80 2kkp s HIS 113 Cb 0.00 -2.22 -0.05 0.00 -0.13 0.00 0.00 32.58 30.18 2kkp s HIS 113 CO 0.00 -0.86 1.14 -3.38 -2.47 0.00 0.00 174.74 169.17 2kkp s HIS 114 N 0.88 3.50 0.87 3.88 -3.43 -1.26 -5.04 115.29 114.69 2kkp s HIS 114 Ca 0.13 1.41 -0.11 0.00 -0.80 0.00 0.00 55.06 55.69 2kkp s HIS 114 Cb -0.21 -3.34 0.17 0.00 -1.43 0.00 0.00 32.58 27.77 2kkp s HIS 114 CO -0.11 -0.93 1.20 -3.38 -2.00 0.00 0.00 174.74 169.52 2kkp s HIS 115 N 1.06 1.68 0.02 0.38 -3.43 -1.26 -5.02 115.29 108.71 2kkp s HIS 115 Ca 0.57 0.14 -0.16 0.00 -0.80 0.00 0.00 55.06 54.81 2kkp s HIS 115 Cb -0.27 -3.70 -0.09 0.00 -1.43 0.00 0.00 32.58 27.09 2kkp s HIS 115 CO 0.29 -2.28 1.19 0.45 -2.00 0.00 0.00 174.74 172.39 2kkp h HIS 116 N -1.23 -0.52 0.00 0.38 3.86 -2.08 -3.57 115.15 111.98 2kkp h HIS 116 Ca -0.42 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.78 2kkp h HIS 116 Cb 1.25 0.17 0.00 0.00 1.06 0.00 0.00 27.41 29.89 2kkp h HIS 116 CO -0.75 -0.33 0.00 1.58 0.86 0.00 0.00 177.93 179.30