#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 0.95 -3.77 2.02 -5.35 -1.26 -4.98 119.36 106.97 2kkp n ILE 2 Ca 0.00 -0.24 -0.30 0.00 -0.27 0.00 0.00 62.75 61.94 2kkp n ILE 2 Cb 0.00 -1.77 -0.13 0.00 -1.74 0.00 0.00 39.64 35.99 2kkp n ILE 2 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2kkp s GLU 3 N -0.40 1.37 -0.12 6.28 2.02 -1.26 -4.93 118.70 121.65 2kkp s GLU 3 Ca 0.66 -2.02 0.05 0.00 0.02 0.00 0.00 54.97 53.68 2kkp s GLU 3 Cb -0.56 -2.53 0.32 0.00 0.10 0.00 0.00 34.13 31.47 2kkp s GLU 3 CO 0.48 -1.12 1.10 -0.35 0.02 0.00 0.00 175.26 175.39 2kkp n PRO 4 N 3.63 2.33 -0.11 0.39 -0.04 -1.26 -4.35 135.00 135.59 2kkp n PRO 4 Ca 0.07 -1.27 -0.01 0.00 -0.04 0.00 0.00 63.50 62.25 2kkp n PRO 4 Cb 0.35 -1.73 0.25 0.00 -0.04 0.00 0.00 33.50 32.32 2kkp n PRO 4 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2kkp h SER 5 N 1.33 0.71 -3.26 3.54 0.02 -2.02 -3.41 113.55 110.46 2kkp h SER 5 Ca 0.06 -0.09 -0.57 0.00 -0.84 0.00 0.00 61.79 60.35 2kkp h SER 5 Cb 1.26 -0.18 -0.35 0.00 0.14 0.00 0.00 62.40 63.27 2kkp h SER 5 CO 0.26 0.65 -0.83 -0.54 -1.14 0.00 0.00 176.83 175.23 2kkp s LYS 6 N -5.33 2.06 0.00 3.45 -0.14 -1.26 -5.04 119.74 113.47 2kkp s LYS 6 Ca -0.09 -0.50 0.00 0.00 -1.36 0.00 0.00 55.97 54.02 2kkp s LYS 6 Cb 0.16 -1.80 0.00 0.00 -1.68 0.00 0.00 37.83 34.51 2kkp s LYS 6 CO 0.78 -0.10 0.00 -0.89 -0.76 0.00 0.00 175.35 174.38 2kkp n ILE 7 N 4.32 0.00 -4.53 2.17 -0.00 -1.26 -5.12 119.36 114.93 2kkp n ILE 7 Ca -0.18 0.01 -0.25 0.00 -0.00 0.00 0.00 62.75 62.32 2kkp n ILE 7 Cb 0.51 -0.61 -0.11 0.00 -0.00 0.00 0.00 39.64 39.43 2kkp n ILE 7 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 2kkp s THR 8 N -0.09 1.87 0.42 1.39 -4.23 -1.26 -4.94 115.64 108.80 2kkp s THR 8 Ca 0.00 -2.08 0.09 0.00 -1.18 0.00 0.00 61.69 58.52 2kkp s THR 8 Cb 0.00 -2.76 0.23 0.00 1.34 0.00 0.00 72.50 71.31 2kkp s THR 8 CO 0.00 -0.12 2.02 0.58 -0.54 0.00 0.00 174.62 176.56 2kkp h VAL 9 N 2.00 1.11 0.00 2.29 2.07 -0.74 -2.00 116.25 120.98 2kkp h VAL 9 Ca -0.42 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 2kkp h VAL 9 Cb 1.24 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 2kkp h VAL 9 CO 0.73 0.14 -0.01 1.05 0.02 0.00 0.00 177.57 179.50 2kkp h GLU 10 N 0.36 0.00 0.36 1.57 4.11 -1.93 -2.69 114.58 116.36 2kkp h GLU 10 Ca 0.09 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.50 2kkp h GLU 10 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2kkp h GLU 10 CO -0.01 0.01 -0.17 0.37 0.07 0.00 0.00 179.01 179.28 2kkp h GLN 11 N 0.00 -0.47 0.00 1.06 4.15 -1.74 0.65 115.11 118.76 2kkp h GLN 11 Ca -0.00 0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.37 2kkp h GLN 11 Cb 0.06 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 2kkp h GLN 11 CO 0.00 -0.29 -0.40 0.11 -1.93 0.00 0.00 178.83 176.33 2kkp h TRP 12 N -0.52 0.00 -0.58 3.99 5.08 -1.67 -2.59 115.95 119.66 2kkp h TRP 12 Ca -0.05 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.91 2kkp h TRP 12 Cb 0.40 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.53 2kkp h TRP 12 CO -0.04 0.40 0.32 -0.07 -1.28 0.00 0.00 178.44 177.77 2kkp h LEU 13 N 0.00 0.71 -0.21 0.11 -0.00 -1.24 0.35 115.31 115.03 2kkp h LEU 13 Ca -0.00 -0.09 0.01 0.00 -0.00 0.00 0.00 57.88 57.80 2kkp h LEU 13 Cb 1.12 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 41.59 2kkp h LEU 13 CO 0.05 0.59 0.13 -1.13 -0.00 0.00 0.00 178.44 178.08 2kkp h ASN 14 N 0.78 0.22 -0.12 -0.43 -0.73 -0.55 0.12 115.58 114.88 2kkp h ASN 14 Ca 0.20 -0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.36 2kkp h ASN 14 Cb 0.03 -0.05 -0.00 0.00 0.27 0.00 0.00 38.32 38.57 2kkp h ASN 14 CO -0.03 0.16 0.04 0.03 -0.37 0.00 0.00 177.43 177.25 2kkp h ARG 15 N 0.27 0.18 0.74 6.67 2.47 -1.27 -2.02 114.38 121.42 2kkp h ARG 15 Ca 0.08 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.73 2kkp h ARG 15 Cb -0.02 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.27 2kkp h ARG 15 CO -0.03 0.32 -0.48 2.35 0.56 0.00 0.00 179.97 182.69 2kkp h TRP 16 N 0.00 -1.28 -0.75 3.04 7.01 -0.13 -0.29 115.95 123.55 2kkp h TRP 16 Ca 0.04 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.03 2kkp h TRP 16 Cb 0.21 0.46 -0.04 0.00 -2.10 0.00 0.00 29.16 27.70 2kkp h TRP 16 CO -0.00 -0.70 0.50 1.25 -2.79 0.00 0.00 178.44 176.69 2kkp h LEU 17 N -1.15 0.87 0.02 0.65 6.46 -0.82 0.20 115.31 121.53 2kkp h LEU 17 Ca -0.10 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.64 2kkp h LEU 17 Cb 0.93 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.64 2kkp h LEU 17 CO 0.09 0.63 -0.01 0.74 -0.62 0.00 0.00 178.44 179.26 2kkp h THR 18 N 1.02 1.40 -0.13 1.05 2.02 -1.27 -2.43 112.91 114.57 2kkp h THR 18 Ca 0.28 -1.30 -0.11 0.00 0.77 0.00 0.00 66.41 66.05 2kkp h THR 18 Cb -0.12 2.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 2kkp h THR 18 CO -0.06 0.33 -0.34 -0.78 0.37 0.00 0.00 175.52 175.04 2kkp h ASP 19 N -0.59 0.53 -0.05 4.18 3.58 -0.81 -3.26 116.42 120.01 2kkp h ASP 19 Ca -0.00 -0.58 0.00 0.00 0.42 0.00 0.00 57.03 56.86 2kkp h ASP 19 Cb 0.56 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.46 2kkp h ASP 19 CO 0.00 1.02 0.00 -1.22 -2.88 0.00 0.00 179.24 176.16 2kkp n TYR 20 N -4.35 0.05 -0.16 0.28 4.01 0.69 -3.37 117.16 114.30 2kkp n TYR 20 Ca -0.07 -0.02 -0.09 0.00 -0.16 0.00 0.00 57.90 57.55 2kkp n TYR 20 Cb 0.50 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.53 2kkp n TYR 20 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2kkp h ALA 21 N 4.33 0.59 -4.82 -0.72 0.00 -1.47 -3.49 119.26 113.68 2kkp h ALA 21 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2kkp h ALA 21 Cb 0.54 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 2kkp h ALA 21 CO 0.00 0.29 -1.15 1.17 0.00 0.00 0.00 179.25 179.57 2kkp n LYS 22 N -4.49 -3.59 -1.64 0.00 4.81 -1.22 -4.79 118.16 107.25 2kkp n LYS 22 Ca 0.00 2.83 -0.55 0.00 -0.87 0.00 0.00 58.31 59.72 2kkp n LYS 22 Cb 0.23 -4.75 -0.07 0.00 0.02 0.00 0.00 35.03 30.46 2kkp n LYS 22 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2kkp n PRO 23 N 1.05 1.28 -1.82 1.64 -0.02 -1.26 -4.94 135.00 130.93 2kkp n PRO 23 Ca -0.19 0.45 -0.02 0.00 -2.02 0.00 0.00 63.50 61.73 2kkp n PRO 23 Cb 0.29 -2.26 -0.00 0.00 -0.02 0.00 0.00 33.50 31.51 2kkp n PRO 23 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2kkp n HIS 24 N 6.64 -0.64 -2.21 6.00 8.25 -1.26 -5.11 115.22 126.89 2kkp n HIS 24 Ca 0.30 -0.30 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 2kkp n HIS 24 Cb 0.17 0.08 -0.02 0.00 1.12 0.00 0.00 29.99 31.34 2kkp n HIS 24 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2kkp s LEU 25 N 0.00 3.83 0.00 2.41 2.96 -1.26 -4.75 118.68 121.87 2kkp s LEU 25 Ca 0.04 1.41 0.00 0.00 -0.22 0.00 0.00 54.13 55.36 2kkp s LEU 25 Cb -0.00 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.15 2kkp s LEU 25 CO 0.03 -1.26 0.00 0.54 -1.32 0.00 0.00 176.35 174.33 2kkp n ARG 26 N 7.67 0.00 -1.38 1.98 1.74 -1.26 -5.03 116.66 120.38 2kkp n ARG 26 Ca 0.18 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.13 2kkp n ARG 26 Cb 0.46 -0.58 -0.06 0.00 -1.02 0.00 0.00 32.46 31.26 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 -2.39 -1.08 -3.83 5.56 6.02 -1.26 -4.96 117.38 115.44 2kkp n GLN 27 Ca 0.00 0.95 -0.11 0.00 -0.01 0.00 0.00 57.00 57.82 2kkp n GLN 27 Cb 0.30 -5.07 -0.09 0.00 1.02 0.00 0.00 30.24 26.40 2kkp n GLN 27 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2kkp s SER 28 N -2.74 -0.03 0.00 1.08 1.04 -1.26 -5.01 113.70 106.77 2kkp s SER 28 Ca 0.00 -0.20 0.07 0.00 0.48 0.00 0.00 55.95 56.29 2kkp s SER 28 Cb 0.00 0.27 0.11 0.00 0.10 0.00 0.00 66.02 66.50 2kkp s SER 28 CO 0.00 -0.48 0.95 1.07 0.98 0.00 0.00 173.24 175.76 2kkp n THR 29 N 1.05 0.00 -0.37 2.02 5.66 -1.26 -4.88 114.28 116.50 2kkp n THR 29 Ca -0.21 -0.26 0.01 0.00 -3.05 0.00 0.00 64.05 60.54 2kkp n THR 29 Cb 0.57 0.53 0.01 0.00 -1.55 0.00 0.00 70.33 69.90 2kkp n THR 29 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35 2kkp n TRP 30 N 0.13 0.00 -1.63 1.09 2.14 -1.26 -5.01 117.44 112.90 2kkp n TRP 30 Ca -0.01 -0.40 -0.44 0.00 2.07 0.00 0.00 57.50 58.72 2kkp n TRP 30 Cb 0.78 -0.04 -0.03 0.00 -0.81 0.00 0.00 31.31 31.20 2kkp n TRP 30 CO 0.00 0.00 0.00 -0.85 2.07 0.00 0.00 177.69 178.91 2kkp n GLU 31 N -0.43 2.32 0.00 -2.67 0.00 -1.26 -4.84 120.64 113.77 2kkp n GLU 31 Ca 0.01 0.77 0.06 0.00 0.00 0.00 0.00 57.16 58.00 2kkp n GLU 31 Cb 0.35 -3.03 0.27 0.00 0.00 0.00 0.00 31.44 29.03 2kkp n GLU 31 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2kkp n SER 32 N 9.23 0.00 0.17 -1.84 7.64 -1.26 -2.70 113.62 124.86 2kkp n SER 32 Ca 0.26 0.32 0.04 0.00 1.01 0.00 0.00 58.87 60.49 2kkp n SER 32 Cb 0.40 -0.40 0.43 0.00 -1.01 0.00 0.00 64.21 63.63 2kkp n SER 32 CO 0.00 0.00 0.00 0.10 -3.01 0.00 0.00 175.04 172.13 2kkp h TYR 33 N 0.00 0.10 0.19 1.43 -0.00 -2.00 -0.16 116.97 116.53 2kkp h TYR 33 Ca 0.00 -0.01 -0.28 0.00 -0.00 0.00 0.00 58.73 58.44 2kkp h TYR 33 Cb 0.16 -0.03 0.02 0.00 -0.00 0.00 0.00 36.73 36.88 2kkp h TYR 33 CO 0.00 0.30 -1.26 1.49 -0.00 0.00 0.00 178.16 178.68 2kkp h GLU 34 N 0.09 0.39 0.62 0.10 4.22 -1.91 -3.21 114.58 114.89 2kkp h GLU 34 Ca 0.02 -0.67 -0.03 0.00 0.08 0.00 0.00 59.36 58.76 2kkp h GLU 34 Cb 0.41 0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 2kkp h GLU 34 CO 0.03 1.32 -0.37 1.15 -2.18 0.00 0.00 179.01 178.96 2kkp h THR 35 N -0.12 0.24 -0.08 0.32 2.02 -1.57 -2.29 112.91 111.43 2kkp h THR 35 Ca -0.23 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.91 2kkp h THR 35 Cb 1.91 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 2kkp h THR 35 CO 0.19 0.00 -0.13 -0.37 0.37 0.00 0.00 175.52 175.58 2kkp h VAL 36 N -0.94 1.14 0.47 3.16 -1.51 -1.22 -0.77 116.25 116.59 2kkp h VAL 36 Ca -0.08 -0.63 -0.02 0.00 -1.23 0.00 0.00 66.70 64.74 2kkp h VAL 36 Cb 0.76 1.23 0.00 0.00 -2.13 0.00 0.00 31.29 31.15 2kkp h VAL 36 CO 0.09 0.19 -0.23 0.25 -1.23 0.00 0.00 177.57 176.64 2kkp h LEU 37 N 0.12 -0.53 -0.42 4.19 5.85 -1.50 -2.42 115.31 120.59 2kkp h LEU 37 Ca 0.03 0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.58 2kkp h LEU 37 Cb 0.31 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 2kkp h LEU 37 CO 0.02 -0.32 -0.65 0.08 -0.34 0.00 0.00 178.44 177.23 2kkp h ARG 38 N -0.76 0.53 -0.42 1.25 0.11 -1.38 -2.28 114.38 111.43 2kkp h ARG 38 Ca -0.06 -0.38 -0.12 0.00 0.10 0.00 0.00 59.98 59.52 2kkp h ARG 38 Cb 0.48 0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.61 2kkp h ARG 38 CO 0.11 1.00 -0.21 1.25 0.10 0.00 0.00 179.97 182.22 2kkp h LEU 39 N 0.38 0.84 0.00 0.08 6.46 -1.24 -2.80 115.31 119.03 2kkp h LEU 39 Ca -0.02 -0.30 -0.10 0.00 -0.12 0.00 0.00 57.88 57.35 2kkp h LEU 39 Cb 1.22 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.91 2kkp h LEU 39 CO 0.12 1.02 -0.74 0.45 -0.62 0.00 0.00 178.44 178.67 2kkp h HIS 40 N 0.72 0.00 0.00 1.25 3.86 -1.43 -3.42 115.15 116.13 2kkp h HIS 40 Ca 0.10 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 59.09 2kkp h HIS 40 Cb 0.73 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.16 2kkp h HIS 40 CO 0.04 0.68 -1.79 1.55 0.86 0.00 0.00 177.93 179.27 2kkp n VAL 41 N -4.55 1.19 -0.12 2.45 3.14 -0.86 -4.43 118.33 115.15 2kkp n VAL 41 Ca -0.17 -0.73 -0.11 0.00 -2.96 0.00 0.00 64.34 60.37 2kkp n VAL 41 Cb 0.43 -0.65 -0.02 0.00 -1.06 0.00 0.00 33.84 32.54 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 1.26 0.00 1.55 5.03 -1.54 0.26 117.51 124.07 2kkp h ILE 42 Ca -0.27 -1.03 -0.00 0.00 -0.12 0.00 0.00 64.86 63.44 2kkp h ILE 42 Cb 1.78 1.21 -0.00 0.00 -3.03 0.00 0.00 36.82 36.78 2kkp h ILE 42 CO 0.04 0.34 -0.01 1.55 -0.68 0.00 0.00 178.15 179.39 2kkp h PRO 43 N 0.46 0.00 0.00 2.37 0.13 -1.77 0.25 132.00 133.44 2kkp h PRO 43 Ca 0.10 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.18 2kkp h PRO 43 Cb 0.50 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 2kkp h PRO 43 CO 0.02 0.01 -0.81 -2.37 -0.23 0.00 0.00 178.00 174.63 2kkp n THR 44 N -3.91 1.31 1.20 1.56 5.66 -1.15 -4.71 114.28 114.24 2kkp n THR 44 Ca -0.03 0.17 0.13 0.00 -3.05 0.00 0.00 64.05 61.27 2kkp n THR 44 Cb 0.10 -1.99 0.40 0.00 -1.55 0.00 0.00 70.33 67.30 2kkp n THR 44 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2kkp n LEU 45 N -4.01 0.71 0.17 1.09 4.32 0.89 -3.53 117.00 116.63 2kkp n LEU 45 Ca -0.12 -0.09 0.13 0.00 -0.02 0.00 0.00 56.01 55.91 2kkp n LEU 45 Cb 0.38 -0.19 0.56 0.00 -1.62 0.00 0.00 43.42 42.54 2kkp n LEU 45 CO 0.11 0.14 0.89 1.23 -1.22 0.00 0.00 177.39 178.54 2kkp h GLY 46 N 4.96 0.00 -2.12 -0.72 0.00 -0.63 -1.41 103.07 103.15 2kkp h GLY 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kkp h GLY 46 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.98 2kkp n SER 47 N -2.46 3.12 -4.33 0.19 7.64 -1.23 -0.02 113.62 116.54 2kkp n SER 47 Ca 0.01 -1.98 -0.35 0.00 1.01 0.00 0.00 58.87 57.57 2kkp n SER 47 Cb 0.24 -0.36 -0.14 0.00 -1.01 0.00 0.00 64.21 62.94 2kkp n SER 47 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2kkp s ILE 48 N -1.28 3.41 0.26 0.44 1.01 -0.53 -5.00 121.20 119.51 2kkp s ILE 48 Ca 0.39 -0.48 -0.31 0.00 0.00 0.00 0.00 60.65 60.25 2kkp s ILE 48 Cb 0.21 -2.54 -0.13 0.00 0.01 0.00 0.00 42.46 40.01 2kkp s ILE 48 CO 0.28 0.43 1.50 -2.65 0.00 0.00 0.00 174.94 174.49 2kkp n PRO 49 N 4.64 2.32 0.03 2.79 -0.02 -1.26 -4.78 135.00 138.72 2kkp n PRO 49 Ca -0.18 0.83 0.19 0.00 -2.02 0.00 0.00 63.50 62.32 2kkp n PRO 49 Cb 0.51 -2.54 0.70 0.00 -0.02 0.00 0.00 33.50 32.14 2kkp n PRO 49 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2kkp h LEU 50 N 4.58 0.00 -0.36 2.45 3.38 -1.94 0.15 115.31 123.57 2kkp h LEU 50 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2kkp h LEU 50 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2kkp h LEU 50 CO 0.78 0.00 0.00 0.11 0.09 0.00 0.00 178.44 179.42 2kkp h LYS 51 N 0.00 0.00 -0.01 1.13 1.79 -1.89 -2.59 116.57 114.99 2kkp h LYS 51 Ca 0.23 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 2kkp h LYS 51 Cb 0.93 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.58 2kkp h LYS 51 CO -0.00 0.00 -0.07 1.17 -1.08 0.00 0.00 179.45 179.47 2kkp n LYS 52 N -2.48 1.09 -2.13 3.15 4.81 0.42 -4.96 118.16 118.06 2kkp n LYS 52 Ca 0.04 -1.08 -0.43 0.00 -0.87 0.00 0.00 58.31 55.97 2kkp n LYS 52 Cb 0.38 -1.21 -0.03 0.00 0.02 0.00 0.00 35.03 34.19 2kkp n LYS 52 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2kkp s LEU 53 N -1.24 4.03 0.13 3.14 1.98 -0.56 -4.96 118.68 121.19 2kkp s LEU 53 Ca 0.13 1.77 0.05 0.00 -2.89 0.00 0.00 54.13 53.19 2kkp s LEU 53 Cb 0.10 -3.53 -0.04 0.00 0.66 0.00 0.00 46.19 43.38 2kkp s LEU 53 CO 0.20 -1.12 0.08 -1.10 -1.89 0.00 0.00 176.35 172.52 2kkp s GLN 54 N 4.37 2.78 0.42 1.98 -0.21 -1.26 -5.01 119.66 122.73 2kkp s GLN 54 Ca 0.70 -0.84 0.14 0.00 0.02 0.00 0.00 55.36 55.38 2kkp s GLN 54 Cb -0.26 -2.62 1.01 0.00 1.00 0.00 0.00 33.01 32.13 2kkp s GLN 54 CO 0.27 0.52 1.94 -1.35 -2.12 0.00 0.00 175.29 174.55 2kkp h PRO 55 N 2.89 0.44 -0.43 2.91 0.11 -1.93 -0.80 132.00 135.19 2kkp h PRO 55 Ca -0.47 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2kkp h PRO 55 Cb 1.18 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2kkp h PRO 55 CO 0.63 0.29 0.22 0.00 -0.21 0.00 0.00 178.00 178.93 2kkp h ALA 56 N 1.66 1.57 -0.28 -0.75 0.00 -1.89 -0.10 119.26 119.47 2kkp h ALA 56 Ca 0.34 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 55.00 2kkp h ALA 56 Cb 0.70 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2kkp h ALA 56 CO -0.11 0.35 -0.49 -0.44 0.00 0.00 0.00 179.25 178.56 2kkp h ASP 57 N 0.60 0.83 -0.52 0.00 3.32 -1.55 0.19 116.42 119.29 2kkp h ASP 57 Ca 0.15 -0.42 -0.05 0.00 0.02 0.00 0.00 57.03 56.73 2kkp h ASP 57 Cb 0.05 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 2kkp h ASP 57 CO -0.02 1.17 0.11 0.40 -1.72 0.00 0.00 179.24 179.19 2kkp h ILE 58 N 0.60 1.24 -0.71 0.35 2.04 -1.16 0.29 117.51 120.17 2kkp h ILE 58 Ca 0.03 -0.88 -0.03 0.00 1.00 0.00 0.00 64.86 64.97 2kkp h ILE 58 Cb 1.06 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 2kkp h ILE 58 CO 0.10 0.32 0.31 -0.61 0.00 0.00 0.00 178.15 178.27 2kkp h GLN 59 N 0.72 1.04 -0.75 2.37 4.15 -0.87 -2.30 115.11 119.47 2kkp h GLN 59 Ca 0.16 -0.17 -0.04 0.00 0.77 0.00 0.00 58.65 59.36 2kkp h GLN 59 Cb 0.35 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.83 2kkp h GLN 59 CO 0.00 0.84 0.30 -0.09 -1.93 0.00 0.00 178.83 177.95 2kkp h ARG 60 N 1.00 1.12 -0.57 1.69 2.43 -0.26 -1.59 114.38 118.20 2kkp h ARG 60 Ca 0.24 -0.20 0.10 0.00 -0.81 0.00 0.00 59.98 59.31 2kkp h ARG 60 Cb 0.17 -0.18 -0.08 0.00 -0.42 0.00 0.00 29.97 29.46 2kkp h ARG 60 CO -0.02 0.91 0.15 1.25 -1.51 0.00 0.00 179.97 180.75 2kkp h LEU 61 N 1.09 0.08 -0.03 3.80 7.12 0.12 0.47 115.31 127.96 2kkp h LEU 61 Ca 0.25 0.09 -0.00 0.00 0.13 0.00 0.00 57.88 58.35 2kkp h LEU 61 Cb 0.21 0.11 -0.00 0.00 -0.53 0.00 0.00 40.66 40.45 2kkp h LEU 61 CO -0.02 0.06 0.01 1.88 -0.13 0.00 0.00 178.44 180.23 2kkp h TYR 62 N 0.30 0.05 -0.22 1.25 0.05 -1.05 -2.26 116.97 115.09 2kkp h TYR 62 Ca 0.29 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 59.06 2kkp h TYR 62 Cb 0.39 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.11 2kkp h TYR 62 CO -0.21 0.27 0.13 0.00 -1.05 0.00 0.00 178.16 177.29 2kkp h ALA 63 N 0.78 0.28 -0.58 3.88 0.00 -0.65 0.34 119.26 123.30 2kkp h ALA 63 Ca 0.01 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2kkp h ALA 63 Cb 0.24 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2kkp h ALA 63 CO 0.00 -0.21 0.12 0.77 0.00 0.00 0.00 179.25 179.94 2kkp h SER 64 N 0.26 0.86 1.00 0.00 0.02 -0.10 -1.51 113.55 114.08 2kkp h SER 64 Ca 0.08 -0.17 -0.21 0.00 -0.84 0.00 0.00 61.79 60.65 2kkp h SER 64 Cb 0.04 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 2kkp h SER 64 CO -0.01 0.85 -1.02 0.11 -1.14 0.00 0.00 176.83 175.62 2kkp h LYS 65 N 0.88 0.00 -0.67 3.45 6.56 -1.21 -3.10 116.57 122.48 2kkp h LYS 65 Ca 0.19 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.77 2kkp h LYS 65 Cb 0.35 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.97 2kkp h LYS 65 CO 0.00 0.91 0.39 1.25 -2.06 0.00 0.00 179.45 179.94 2kkp h LEU 66 N 0.00 0.80 -1.18 2.94 5.85 0.05 -1.32 115.31 122.44 2kkp h LEU 66 Ca -0.03 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.55 2kkp h LEU 66 Cb 1.76 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.57 2kkp h LEU 66 CO 0.12 0.62 -0.41 -0.08 -0.34 0.00 0.00 178.44 178.36 2kkp h GLU 67 N 0.92 0.00 0.00 1.25 4.57 -1.25 -2.08 114.58 117.99 2kkp h GLU 67 Ca 0.24 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 2kkp h GLU 67 Cb -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 2kkp h GLU 67 CO -0.04 0.41 0.00 0.43 -1.18 0.00 0.00 179.01 178.62 2kkp n SER 68 N -4.03 0.09 0.00 1.04 7.64 -0.53 -4.86 113.62 112.96 2kkp n SER 68 Ca -0.02 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.38 2kkp n SER 68 Cb 0.44 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 2kkp n SER 68 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kkp n GLY 69 N 0.83 0.69 3.85 0.23 0.00 -0.78 -5.10 105.19 104.91 2kkp n GLY 69 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 2kkp n GLY 69 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kkp s LEU 70 N 0.00 4.44 0.15 0.99 2.96 -1.03 -5.00 118.68 121.19 2kkp s LEU 70 Ca 0.00 0.74 -0.30 0.00 -0.22 0.00 0.00 54.13 54.35 2kkp s LEU 70 Cb 0.00 -2.36 -0.07 0.00 0.50 0.00 0.00 46.19 44.26 2kkp s LEU 70 CO 0.00 0.36 1.18 -0.44 -1.32 0.00 0.00 176.35 176.13 2kkp s SER 71 N -1.04 7.12 0.35 3.68 0.01 -1.26 -4.75 113.70 117.81 2kkp s SER 71 Ca 0.20 2.15 0.08 0.00 1.31 0.00 0.00 55.95 59.68 2kkp s SER 71 Cb -0.15 -2.60 0.78 0.00 0.21 0.00 0.00 66.02 64.26 2kkp s SER 71 CO 0.09 -0.36 1.88 -0.65 0.41 0.00 0.00 173.24 174.61 2kkp h PRO 72 N 5.60 0.72 -0.67 12.44 0.11 -1.98 -0.24 132.00 147.97 2kkp h PRO 72 Ca -0.44 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 2kkp h PRO 72 Cb 1.21 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 2kkp h PRO 72 CO 0.76 0.47 0.12 1.15 -0.21 0.00 0.00 178.00 180.29 2kkp h THR 73 N 0.74 1.26 -0.27 -1.15 2.02 -2.00 -2.49 112.91 111.02 2kkp h THR 73 Ca 0.44 -1.03 -0.08 0.00 0.77 0.00 0.00 66.41 66.50 2kkp h THR 73 Cb 0.63 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 2kkp h THR 73 CO -0.20 0.39 -0.20 -0.09 0.37 0.00 0.00 175.52 175.79 2kkp h ARG 74 N 1.03 0.48 -0.88 6.66 2.43 -1.47 -1.75 114.38 120.88 2kkp h ARG 74 Ca 0.21 -0.16 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 2kkp h ARG 74 Cb 0.43 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.90 2kkp h ARG 74 CO 0.01 0.66 0.58 0.28 -1.51 0.00 0.00 179.97 179.99 2kkp h VAL 75 N 0.43 1.23 -0.66 0.20 2.07 -0.95 -0.43 116.25 118.14 2kkp h VAL 75 Ca 0.07 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 2kkp h VAL 75 Cb 0.59 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 2kkp h VAL 75 CO 0.04 0.22 0.25 0.03 0.02 0.00 0.00 177.57 178.13 2kkp h ARG 76 N 1.19 1.00 -0.22 1.57 3.08 -0.91 -0.93 114.38 119.17 2kkp h ARG 76 Ca 0.32 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 2kkp h ARG 76 Cb -0.13 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.75 2kkp h ARG 76 CO -0.07 0.84 0.09 -0.92 -1.07 0.00 0.00 179.97 178.85 2kkp h TYR 77 N 0.94 0.32 -0.67 3.04 3.20 -0.85 -1.66 116.97 121.29 2kkp h TYR 77 Ca 0.22 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.13 2kkp h TYR 77 Cb 0.23 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.36 2kkp h TYR 77 CO 0.02 0.34 0.44 0.82 -1.64 0.00 0.00 178.16 178.14 2kkp h ILE 78 N 0.21 1.01 -0.57 1.81 2.04 -0.89 -0.09 117.51 121.02 2kkp h ILE 78 Ca 0.07 -0.23 -0.09 0.00 1.00 0.00 0.00 64.86 65.61 2kkp h ILE 78 Cb 0.15 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 2kkp h ILE 78 CO -0.01 0.12 -0.00 -0.74 0.00 0.00 0.00 178.15 177.52 2kkp h HIS 79 N 0.67 1.09 0.17 1.37 2.76 -0.61 -1.75 115.15 118.86 2kkp h HIS 79 Ca 0.29 -0.19 -0.30 0.00 -2.20 0.00 0.00 60.37 57.97 2kkp h HIS 79 Cb 0.28 -0.28 0.02 0.00 1.55 0.00 0.00 27.41 28.97 2kkp h HIS 79 CO -0.00 0.98 -1.33 -0.24 -1.30 0.00 0.00 177.93 176.04 2kkp h VAL 80 N 0.89 1.42 -0.22 5.26 3.04 -0.58 -2.36 116.25 123.70 2kkp h VAL 80 Ca 0.16 -2.93 -0.13 0.00 -1.01 0.00 0.00 66.70 62.79 2kkp h VAL 80 Cb 0.55 2.98 -0.01 0.00 -2.01 0.00 0.00 31.29 32.80 2kkp h VAL 80 CO 0.03 0.86 -0.41 1.62 -1.01 0.00 0.00 177.57 178.66 2kkp h VAL 81 N 0.10 1.30 -0.21 1.51 3.04 -1.06 -2.13 116.25 118.81 2kkp h VAL 81 Ca -0.18 -1.58 -0.13 0.00 -1.01 0.00 0.00 66.70 63.80 2kkp h VAL 81 Cb 2.04 1.58 -0.01 0.00 -2.01 0.00 0.00 31.29 32.90 2kkp h VAL 81 CO 0.23 0.49 -0.43 0.25 -1.01 0.00 0.00 177.57 177.11 2kkp h LEU 82 N 0.43 0.54 -0.99 3.16 5.85 -1.37 -1.40 115.31 121.52 2kkp h LEU 82 Ca 0.04 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.53 2kkp h LEU 82 Cb 0.91 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.73 2kkp h LEU 82 CO 0.08 0.90 0.66 -0.74 -0.34 0.00 0.00 178.44 179.00 2kkp h HIS 83 N 0.41 1.24 0.57 1.25 2.76 -1.07 -0.25 115.15 120.07 2kkp h HIS 83 Ca 0.03 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.20 2kkp h HIS 83 Cb 0.92 -0.42 0.01 0.00 1.55 0.00 0.00 27.41 29.47 2kkp h HIS 83 CO 0.03 0.75 -0.28 1.49 -1.30 0.00 0.00 177.93 178.63 2kkp h GLU 84 N 1.31 -0.74 -0.88 5.26 4.57 -1.06 -2.93 114.58 120.10 2kkp h GLU 84 Ca 0.38 0.05 0.09 0.00 -1.18 0.00 0.00 59.36 58.70 2kkp h GLU 84 Cb -0.08 0.17 -0.06 0.00 -0.16 0.00 0.00 28.75 28.61 2kkp h GLU 84 CO -0.10 -0.44 0.57 0.00 -1.18 0.00 0.00 179.01 177.86 2kkp h ALA 85 N -0.92 1.62 -0.00 2.92 0.00 -1.09 0.15 119.26 121.94 2kkp h ALA 85 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2kkp h ALA 85 Cb 0.65 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2kkp h ALA 85 CO 0.13 0.21 -0.08 -1.33 0.00 0.00 0.00 179.25 178.18 2kkp n MET 86 N -4.52 0.65 -0.09 0.00 2.81 -0.12 -3.35 117.12 112.50 2kkp n MET 86 Ca 0.15 -0.18 -0.11 0.00 -1.81 0.00 0.00 57.70 55.74 2kkp n MET 86 Cb 0.28 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.26 2kkp n MET 86 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 2kkp h SER 87 N 0.43 0.51 -0.00 7.83 0.02 -0.76 0.66 113.55 122.24 2kkp h SER 87 Ca 0.00 -0.34 -0.16 0.00 -0.84 0.00 0.00 61.79 60.45 2kkp h SER 87 Cb 0.33 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 2kkp h SER 87 CO 0.00 0.73 -0.55 1.56 -1.14 0.00 0.00 176.83 177.43 2kkp h GLN 88 N 0.28 0.58 -0.64 3.45 7.50 -1.64 -1.66 115.11 122.98 2kkp h GLN 88 Ca 0.07 -0.37 -0.09 0.00 0.50 0.00 0.00 58.65 58.77 2kkp h GLN 88 Cb 0.49 0.04 -0.02 0.00 0.05 0.00 0.00 27.48 28.04 2kkp h GLN 88 CO 0.02 0.98 0.06 0.00 -1.50 0.00 0.00 178.83 178.39 2kkp h ALA 89 N 0.95 0.90 0.42 3.87 0.00 -1.56 -0.80 119.26 123.03 2kkp h ALA 89 Ca 0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2kkp h ALA 89 Cb 1.10 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2kkp h ALA 89 CO 0.10 0.67 -0.30 -0.09 0.00 0.00 0.00 179.25 179.63 2kkp h ARG 90 N 1.00 -0.68 0.00 0.00 2.43 -0.68 -1.77 114.38 114.68 2kkp h ARG 90 Ca 0.19 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 2kkp h ARG 90 Cb 0.49 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 2kkp h ARG 90 CO 0.02 -0.45 0.00 0.39 -1.51 0.00 0.00 179.97 178.42 2kkp n GLU 91 N -5.43 0.96 0.00 0.20 1.02 -0.64 -1.39 120.64 115.37 2kkp n GLU 91 Ca -0.11 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.13 2kkp n GLU 91 Cb 0.33 -1.01 -0.10 0.00 -0.02 0.00 0.00 31.44 30.63 2kkp n GLU 91 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2kkp n SER 92 N -0.51 1.10 0.00 1.62 2.88 -0.32 -4.96 113.62 113.42 2kkp n SER 92 Ca 0.01 -1.05 0.00 0.00 -1.33 0.00 0.00 58.87 56.50 2kkp n SER 92 Cb 0.00 0.93 0.00 0.00 -0.75 0.00 0.00 64.21 64.40 2kkp n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kkp n GLY 93 N 1.47 0.53 0.13 0.46 0.00 -0.48 -4.96 105.19 102.33 2kkp n GLY 93 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 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 0.59 -8.45 0.99 -0.00 -1.46 -3.44 115.31 103.55 2kkp h LEU 94 Ca 0.00 -0.94 -0.66 0.00 -0.00 0.00 0.00 57.88 56.28 2kkp h LEU 94 Cb 0.00 -0.19 -0.27 0.00 -0.00 0.00 0.00 40.66 40.20 2kkp h LEU 94 CO 0.00 1.50 -0.71 -0.76 -0.00 0.00 0.00 178.44 178.47 2kkp s LEU 95 N -7.79 2.96 0.00 1.67 2.01 -1.10 -4.60 118.68 111.83 2kkp s LEU 95 Ca -0.12 -0.36 -0.24 0.00 0.01 0.00 0.00 54.13 53.42 2kkp s LEU 95 Cb 0.02 -1.76 -0.18 0.00 0.01 0.00 0.00 46.19 44.28 2kkp s LEU 95 CO 0.87 -0.01 1.32 0.25 1.01 0.00 0.00 176.35 179.79 2kkp h LEU 96 N 8.02 0.11 -9.32 1.79 5.85 -1.85 -3.40 115.31 116.53 2kkp h LEU 96 Ca -0.40 -0.45 -0.59 0.00 0.84 0.00 0.00 57.88 57.28 2kkp h LEU 96 Cb 1.16 -0.03 -0.14 0.00 0.37 0.00 0.00 40.66 42.03 2kkp h LEU 96 CO 0.60 0.54 -0.70 -1.10 -0.34 0.00 0.00 178.44 177.44 2kkp s GLN 97 N -4.41 1.73 -0.45 1.25 -1.52 -1.26 -5.06 119.66 109.94 2kkp s GLN 97 Ca -0.15 -1.87 -0.23 0.00 -1.95 0.00 0.00 55.36 51.16 2kkp s GLN 97 Cb 0.03 -1.60 0.03 0.00 -0.22 0.00 0.00 33.01 31.25 2kkp s GLN 97 CO 0.70 0.16 0.81 1.21 -0.25 0.00 0.00 175.29 177.91 2kkp s ASN 98 N -3.55 6.42 0.27 5.90 3.84 -1.26 -4.91 114.94 121.65 2kkp s ASN 98 Ca 0.31 -0.08 0.26 0.00 0.21 0.00 0.00 52.86 53.56 2kkp s ASN 98 Cb 0.01 -2.39 0.81 0.00 -0.55 0.00 0.00 41.25 39.13 2kkp s ASN 98 CO 0.15 -0.94 1.75 -0.65 -2.79 0.00 0.00 177.10 174.63 2kkp h PRO 99 N 9.00 0.00 -0.12 0.43 0.11 -1.96 -3.23 132.00 136.22 2kkp h PRO 99 Ca -0.25 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.74 2kkp h PRO 99 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2kkp h PRO 99 CO 0.97 0.00 -0.48 1.79 -0.21 0.00 0.00 178.00 180.07 2kkp h THR 100 N 0.00 1.33 0.00 -1.15 1.35 -1.94 -2.54 112.91 109.96 2kkp h THR 100 Ca 0.00 -1.69 -0.12 0.00 -0.55 0.00 0.00 66.41 64.05 2kkp h THR 100 Cb 0.68 1.77 -0.02 0.00 -1.73 0.00 0.00 68.15 68.85 2kkp h THR 100 CO 0.00 0.51 -0.56 -0.33 -0.25 0.00 0.00 175.52 174.89 2kkp h GLU 101 N 0.25 0.00 0.00 4.72 5.08 -1.96 -2.98 114.58 119.70 2kkp h GLU 101 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2kkp h GLU 101 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2kkp h GLU 101 CO 0.08 0.56 -0.24 0.00 -1.00 0.00 0.00 179.01 178.41 2kkp n ALA 102 N -2.29 2.91 -2.88 3.43 0.00 -1.10 -4.58 120.51 116.00 2kkp n ALA 102 Ca 0.01 -0.22 -0.43 0.00 0.00 0.00 0.00 53.44 52.79 2kkp n ALA 102 Cb 0.69 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.81 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 -3.00 3.24 -0.21 0.00 0.00 -0.98 -4.82 121.76 115.99 2kkp s ALA 103 Ca 0.13 -2.42 0.01 0.00 0.00 0.00 0.00 51.96 49.68 2kkp s ALA 103 Cb 0.18 -4.01 0.03 0.00 0.00 0.00 0.00 23.12 19.32 2kkp s ALA 103 CO 0.61 -2.94 -0.16 0.21 0.00 0.00 0.00 175.76 173.48 2kkp s LYS 104 N 3.30 2.85 0.91 0.00 2.20 -1.26 -4.87 119.74 122.86 2kkp s LYS 104 Ca 0.30 -0.94 -0.11 0.00 -0.36 0.00 0.00 55.97 54.86 2kkp s LYS 104 Cb -0.09 -2.71 0.14 0.00 -1.51 0.00 0.00 37.83 33.66 2kkp s LYS 104 CO -0.03 -0.30 1.11 -2.14 -0.36 0.00 0.00 175.35 173.63 2kkp s PRO 105 N 1.27 1.11 0.81 4.03 0.02 -1.26 -5.00 135.00 135.98 2kkp s PRO 105 Ca 0.02 1.29 -0.13 0.00 0.02 0.00 0.00 61.00 62.20 2kkp s PRO 105 Cb -0.15 -1.76 0.08 0.00 0.02 0.00 0.00 34.50 32.69 2kkp s PRO 105 CO -0.10 -2.48 1.19 -2.30 -0.33 0.00 0.00 177.00 172.98 2kkp n PRO 106 N -4.11 0.20 0.00 5.54 -0.02 -1.26 -4.64 135.00 130.71 2kkp n PRO 106 Ca 0.10 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 2kkp n PRO 106 Cb 0.53 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 2kkp n PRO 106 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2kkp n ARG 107 N -3.20 0.00 -3.47 -0.52 1.74 -1.26 -4.52 116.66 105.43 2kkp n ARG 107 Ca 0.14 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.79 2kkp n ARG 107 Cb 0.50 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.86 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 0.00 3.28 0.10 -1.55 3.76 -1.26 -4.91 115.29 114.71 2kkp s HIS 108 Ca 0.00 -1.20 -0.04 0.00 -0.15 0.00 0.00 55.06 53.67 2kkp s HIS 108 Cb 0.00 -3.14 -0.21 0.00 1.11 0.00 0.00 32.58 30.34 2kkp s HIS 108 CO 0.00 -0.83 1.20 -1.00 -0.85 0.00 0.00 174.74 173.26 2kkp h PRO 109 N 8.63 0.32 -2.62 8.40 0.13 -1.82 -3.46 132.00 141.57 2kkp h PRO 109 Ca -0.26 -0.46 -0.11 0.00 -0.87 0.00 0.00 66.00 64.30 2kkp h PRO 109 Cb 1.10 0.16 -0.24 0.00 0.13 0.00 0.00 31.00 32.14 2kkp h PRO 109 CO 0.84 1.17 -0.20 -0.51 -0.23 0.00 0.00 178.00 179.08 2kkp s LEU 110 N -7.37 0.16 0.27 1.56 1.43 -1.26 -5.02 118.68 108.45 2kkp s LEU 110 Ca -0.05 0.93 0.24 0.00 -1.03 0.00 0.00 54.13 54.22 2kkp s LEU 110 Cb 0.08 1.54 0.48 0.00 0.03 0.00 0.00 46.19 48.32 2kkp s LEU 110 CO 0.88 -0.17 1.55 1.05 0.23 0.00 0.00 176.35 179.89 2kkp h GLU 111 N 5.80 0.00 -3.75 1.70 4.11 -2.01 -3.40 114.58 117.02 2kkp h GLU 111 Ca -0.29 0.00 -0.77 0.00 0.07 0.00 0.00 59.36 58.36 2kkp h GLU 111 Cb 1.18 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 30.15 2kkp h GLU 111 CO 0.23 0.00 0.06 -1.01 0.07 0.00 0.00 179.01 178.37 2kkp s HIS 112 N -3.18 3.77 -0.79 2.06 3.76 -1.26 -5.00 115.29 114.65 2kkp s HIS 112 Ca 0.07 -2.21 -0.26 0.00 -0.15 0.00 0.00 55.06 52.51 2kkp s HIS 112 Cb 0.10 -3.71 0.03 0.00 1.11 0.00 0.00 32.58 30.11 2kkp s HIS 112 CO 0.67 -0.96 1.32 -3.38 -0.85 0.00 0.00 174.74 171.54 2kkp s HIS 113 N -0.08 2.31 0.00 1.40 -3.43 -1.26 -4.87 115.29 109.36 2kkp s HIS 113 Ca 0.20 -0.18 0.00 0.00 -0.80 0.00 0.00 55.06 54.28 2kkp s HIS 113 Cb -0.11 -4.63 0.00 0.00 -1.43 0.00 0.00 32.58 26.41 2kkp s HIS 113 CO -0.08 -2.06 0.00 1.58 -2.00 0.00 0.00 174.74 172.18 2kkp n HIS 114 N 9.37 0.00 -3.79 0.38 -0.00 -1.26 -4.74 115.22 115.18 2kkp n HIS 114 Ca 0.09 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.14 2kkp n HIS 114 Cb 0.49 0.07 -0.14 0.00 -0.12 0.00 0.00 29.99 30.29 2kkp n HIS 114 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kkp s HIS 115 N 0.00 -0.12 -1.26 1.57 2.46 -1.26 -5.07 115.29 111.61 2kkp s HIS 115 Ca 0.00 0.35 -0.17 0.00 0.47 0.00 0.00 55.06 55.71 2kkp s HIS 115 Cb 0.00 -0.04 0.10 0.00 -0.13 0.00 0.00 32.58 32.51 2kkp s HIS 115 CO 0.00 -0.11 1.63 -1.01 -2.47 0.00 0.00 174.74 172.79 2kkp s HIS 116 N 0.64 2.98 0.00 3.88 3.76 -1.26 -5.29 115.29 119.99 2kkp s HIS 116 Ca -0.05 -1.73 0.00 0.00 -0.15 0.00 0.00 55.06 53.13 2kkp s HIS 116 Cb -0.07 -4.63 0.00 0.00 1.11 0.00 0.00 32.58 29.00 2kkp s HIS 116 CO -0.03 -1.70 0.00 1.58 -0.85 0.00 0.00 174.74 173.75