#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 0.00 -1.67 1.12 3.06 -1.26 -5.11 119.36 115.50 2kkp n ILE 2 Ca 0.00 0.00 -0.44 0.00 -2.50 0.00 0.00 62.75 59.81 2kkp n ILE 2 Cb 0.00 0.00 -0.04 0.00 0.54 0.00 0.00 39.64 40.14 2kkp n ILE 2 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2kkp n GLU 3 N -0.57 2.61 0.00 9.51 4.71 -1.26 -4.86 120.64 130.78 2kkp n GLU 3 Ca 0.00 0.96 0.15 0.00 -0.01 0.00 0.00 57.16 58.25 2kkp n GLU 3 Cb 0.00 -2.87 0.77 0.00 -1.01 0.00 0.00 31.44 28.34 2kkp n GLU 3 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 2kkp n PRO 4 N 6.94 0.53 -3.38 3.49 -0.02 -1.26 -4.53 135.00 136.76 2kkp n PRO 4 Ca 0.21 0.01 -0.45 0.00 -2.02 0.00 0.00 63.50 61.24 2kkp n PRO 4 Cb 0.36 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.31 2kkp n PRO 4 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2kkp s SER 5 N -2.46 6.45 -0.18 2.55 0.01 -1.26 -5.03 113.70 113.78 2kkp s SER 5 Ca 0.31 -2.51 -0.05 0.00 1.31 0.00 0.00 55.95 55.01 2kkp s SER 5 Cb 0.20 -2.16 -0.03 0.00 0.21 0.00 0.00 66.02 64.24 2kkp s SER 5 CO 0.43 -0.61 -0.01 -0.54 0.41 0.00 0.00 173.24 172.92 2kkp s LYS 6 N 0.45 3.68 0.89 12.44 1.02 -1.26 -5.10 119.74 131.86 2kkp s LYS 6 Ca 0.15 -0.50 -0.12 0.00 0.02 0.00 0.00 55.97 55.52 2kkp s LYS 6 Cb -0.15 -3.03 0.13 0.00 -0.52 0.00 0.00 37.83 34.25 2kkp s LYS 6 CO -0.06 0.14 1.11 0.96 -0.92 0.00 0.00 175.35 176.58 2kkp s ILE 7 N 0.66 2.44 0.91 2.17 -4.36 -1.26 -5.01 121.20 116.75 2kkp s ILE 7 Ca -0.01 0.14 -0.12 0.00 -0.26 0.00 0.00 60.65 60.40 2kkp s ILE 7 Cb -0.14 -2.80 0.14 0.00 1.25 0.00 0.00 42.46 40.90 2kkp s ILE 7 CO 0.02 -0.18 1.12 0.42 0.24 0.00 0.00 174.94 176.56 2kkp s THR 8 N -3.13 2.15 0.15 8.37 -4.23 -1.26 -4.71 115.64 112.98 2kkp s THR 8 Ca 0.63 0.05 -0.20 0.00 -1.18 0.00 0.00 61.69 60.98 2kkp s THR 8 Cb -0.16 -2.75 0.05 0.00 1.34 0.00 0.00 72.50 70.98 2kkp s THR 8 CO 0.55 -0.06 1.64 0.58 -0.54 0.00 0.00 174.62 176.79 2kkp h VAL 9 N -1.51 0.47 0.00 2.29 2.07 -1.23 -0.78 116.25 117.56 2kkp h VAL 9 Ca -0.51 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 2kkp h VAL 9 Cb 1.32 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 2kkp h VAL 9 CO 0.61 0.00 -0.17 1.05 0.02 0.00 0.00 177.57 179.07 2kkp h GLU 10 N -0.16 0.00 -0.00 1.57 4.11 -1.72 -0.55 114.58 117.83 2kkp h GLU 10 Ca 0.15 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.58 2kkp h GLU 10 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2kkp h GLU 10 CO -0.39 0.17 -0.01 1.96 0.07 0.00 0.00 179.01 180.82 2kkp h GLN 11 N 0.00 0.01 -0.03 1.06 1.08 -1.42 -1.93 115.11 113.87 2kkp h GLN 11 Ca -0.00 -0.01 -0.15 0.00 -1.45 0.00 0.00 58.65 57.04 2kkp h GLN 11 Cb 0.34 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 2kkp h GLN 11 CO 0.02 0.77 -0.68 0.11 -0.95 0.00 0.00 178.83 178.10 2kkp h TRP 12 N -0.76 0.20 -0.23 2.96 5.08 -1.29 -3.04 115.95 118.87 2kkp h TRP 12 Ca -0.00 -0.09 -0.11 0.00 1.08 0.00 0.00 58.89 59.77 2kkp h TRP 12 Cb 0.78 -0.03 -0.01 0.00 -3.00 0.00 0.00 29.16 26.89 2kkp h TRP 12 CO 0.20 0.78 -0.33 1.25 -1.28 0.00 0.00 178.44 179.06 2kkp h LEU 13 N 0.10 0.51 -0.81 0.11 5.85 -1.17 0.34 115.31 120.25 2kkp h LEU 13 Ca -0.01 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.51 2kkp h LEU 13 Cb 1.22 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.06 2kkp h LEU 13 CO 0.10 0.81 0.53 -1.13 -0.34 0.00 0.00 178.44 178.41 2kkp h ASN 14 N 0.42 0.94 0.10 1.25 -0.73 -1.23 0.18 115.58 116.50 2kkp h ASN 14 Ca 0.05 -0.03 -0.20 0.00 1.87 0.00 0.00 56.30 57.99 2kkp h ASN 14 Cb 0.79 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 39.14 2kkp h ASN 14 CO 0.06 0.69 -0.75 -0.09 -0.37 0.00 0.00 177.43 176.97 2kkp h ARG 15 N 1.10 0.56 -0.21 6.67 2.43 -1.39 -2.80 114.38 120.73 2kkp h ARG 15 Ca 0.30 -0.46 0.04 0.00 -0.81 0.00 0.00 59.98 59.05 2kkp h ARG 15 Cb -0.12 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 2kkp h ARG 15 CO -0.06 1.08 -0.07 2.35 -1.51 0.00 0.00 179.97 181.76 2kkp h TRP 16 N 0.38 -0.17 -0.66 2.20 2.91 0.46 0.33 115.95 121.40 2kkp h TRP 16 Ca -0.04 0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.04 2kkp h TRP 16 Cb 1.35 0.11 -0.04 0.00 -0.51 0.00 0.00 29.16 30.07 2kkp h TRP 16 CO 0.06 -0.12 0.43 -0.07 -1.03 0.00 0.00 178.44 177.71 2kkp h LEU 17 N -0.04 0.65 -0.01 0.65 -0.00 -0.72 -0.13 115.31 115.71 2kkp h LEU 17 Ca 0.11 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.98 2kkp h LEU 17 Cb 0.20 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 40.71 2kkp h LEU 17 CO -0.23 0.44 -0.01 0.74 -0.00 0.00 0.00 178.44 179.38 2kkp h THR 18 N 0.75 1.35 -0.02 0.22 2.02 -0.66 -0.11 112.91 116.47 2kkp h THR 18 Ca 0.27 -1.05 -0.14 0.00 0.77 0.00 0.00 66.41 66.26 2kkp h THR 18 Cb 0.12 2.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.56 2kkp h THR 18 CO -0.08 0.27 -0.64 0.44 0.37 0.00 0.00 175.52 175.89 2kkp h ASP 19 N -0.42 0.08 -0.53 4.18 3.32 -0.30 -3.09 116.42 119.67 2kkp h ASP 19 Ca 0.00 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.00 2kkp h ASP 19 Cb 0.45 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2kkp h ASP 19 CO 0.00 0.69 0.00 -1.22 -1.72 0.00 0.00 179.24 177.00 2kkp n TYR 20 N -3.80 0.69 0.53 4.55 4.02 -0.08 -4.52 117.16 118.55 2kkp n TYR 20 Ca -0.02 -0.35 0.02 0.00 -0.01 0.00 0.00 57.90 57.54 2kkp n TYR 20 Cb 0.63 -0.00 0.11 0.00 -0.02 0.00 0.00 39.34 40.06 2kkp n TYR 20 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2kkp n ALA 21 N 1.56 1.79 -2.02 -0.72 0.00 -0.06 -4.74 120.51 116.32 2kkp n ALA 21 Ca 0.21 -0.02 -0.43 0.00 0.00 0.00 0.00 53.44 53.20 2kkp n ALA 21 Cb 0.61 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.98 2kkp n ALA 21 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2kkp s LYS 22 N -2.00 3.34 -0.87 0.00 2.20 -1.26 -4.93 119.74 116.21 2kkp s LYS 22 Ca 0.05 1.37 -0.22 0.00 -0.36 0.00 0.00 55.97 56.82 2kkp s LYS 22 Cb 0.02 -4.19 0.08 0.00 -1.51 0.00 0.00 37.83 32.23 2kkp s LYS 22 CO 0.04 -1.86 1.22 -1.25 -0.36 0.00 0.00 175.35 173.15 2kkp s PRO 23 N 5.64 3.43 0.00 4.03 0.05 -1.26 -4.63 135.00 142.25 2kkp s PRO 23 Ca 0.78 -1.11 0.00 0.00 0.05 0.00 0.00 61.00 60.72 2kkp s PRO 23 Cb -0.22 -4.79 0.00 0.00 0.05 0.00 0.00 34.50 29.54 2kkp s PRO 23 CO 0.33 -1.98 0.00 1.58 0.05 0.00 0.00 177.00 176.98 2kkp n HIS 24 N 8.00 0.00 -3.74 0.56 -0.00 -1.26 -5.05 115.22 113.73 2kkp n HIS 24 Ca 0.18 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.23 2kkp n HIS 24 Cb 0.49 0.00 -0.13 0.00 -0.12 0.00 0.00 29.99 30.23 2kkp n HIS 24 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 2kkp s LEU 25 N -1.59 0.57 -0.07 0.27 2.96 -1.26 -5.02 118.68 114.54 2kkp s LEU 25 Ca 0.00 0.51 0.00 0.00 -0.22 0.00 0.00 54.13 54.42 2kkp s LEU 25 Cb 0.00 0.74 -0.05 0.00 0.50 0.00 0.00 46.19 47.38 2kkp s LEU 25 CO 0.00 -0.15 -0.07 0.54 -1.32 0.00 0.00 176.35 175.36 2kkp n ARG 26 N 3.95 0.19 0.00 1.98 3.00 -1.26 -4.95 116.66 119.56 2kkp n ARG 26 Ca -0.23 0.04 0.00 0.00 -0.01 0.00 0.00 57.85 57.66 2kkp n ARG 26 Cb 0.54 -1.14 0.00 0.00 0.00 0.00 0.00 32.46 31.86 2kkp n ARG 26 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 2kkp n GLN 27 N -2.74 0.00 0.03 5.56 0.00 -1.26 -3.14 117.38 115.83 2kkp n GLN 27 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.87 2kkp n GLN 27 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.88 2kkp n GLN 27 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 2kkp n SER 28 N 2.17 0.09 0.00 1.69 3.41 -1.26 -5.08 113.62 114.65 2kkp n SER 28 Ca 0.00 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 2kkp n SER 28 Cb 0.00 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 2kkp n SER 28 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2kkp n THR 29 N -2.91 0.00 -0.97 6.66 -2.24 -1.19 -5.16 114.28 108.48 2kkp n THR 29 Ca 0.00 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 2kkp n THR 29 Cb 0.16 -0.47 -0.06 0.00 -2.10 0.00 0.00 70.33 67.86 2kkp n THR 29 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 2kkp n TRP 30 N -1.25 -2.57 0.00 4.78 -0.00 -1.25 -4.80 117.44 112.35 2kkp n TRP 30 Ca 0.00 1.40 0.00 0.00 -0.00 0.00 0.00 57.50 58.90 2kkp n TRP 30 Cb 0.00 -2.34 0.00 0.00 -0.00 0.00 0.00 31.31 28.97 2kkp n TRP 30 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 2kkp n GLU 31 N -3.63 0.00 0.00 5.87 0.00 -1.26 -4.48 120.64 117.15 2kkp n GLU 31 Ca -0.05 0.00 0.06 0.00 0.00 0.00 0.00 57.16 57.17 2kkp n GLU 31 Cb 0.46 0.00 0.33 0.00 0.00 0.00 0.00 31.44 32.23 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 2.54 0.00 0.22 4.31 7.64 -1.26 -0.66 113.62 126.41 2kkp n SER 32 Ca 0.00 -0.12 0.12 0.00 1.01 0.00 0.00 58.87 59.88 2kkp n SER 32 Cb 0.00 -0.15 0.25 0.00 -1.01 0.00 0.00 64.21 63.29 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 0.00 0.89 1.43 -0.00 -1.98 -3.34 116.97 113.96 2kkp h TYR 33 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.69 2kkp h TYR 33 Cb 0.06 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 36.80 2kkp h TYR 33 CO 0.00 0.07 -0.43 1.49 -0.00 0.00 0.00 178.16 179.29 2kkp h GLU 34 N 0.00 -1.15 0.30 0.10 4.57 -1.27 -2.88 114.58 114.25 2kkp h GLU 34 Ca -0.00 0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.25 2kkp h GLU 34 Cb 0.96 0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 29.79 2kkp h GLU 34 CO 0.01 -0.76 -0.41 1.15 -1.18 0.00 0.00 179.01 177.81 2kkp h THR 35 N -1.22 0.00 -0.73 0.32 2.02 -1.75 -2.19 112.91 109.36 2kkp h THR 35 Ca -0.12 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.13 2kkp h THR 35 Cb 0.91 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.26 2kkp h THR 35 CO 0.20 0.00 0.41 -0.37 0.37 0.00 0.00 175.52 176.13 2kkp h VAL 36 N -0.74 0.95 0.61 3.16 -1.51 -1.70 -0.02 116.25 117.00 2kkp h VAL 36 Ca -0.04 -0.25 -0.03 0.00 -1.23 0.00 0.00 66.70 65.15 2kkp h VAL 36 Cb 0.67 0.15 0.01 0.00 -2.13 0.00 0.00 31.29 29.99 2kkp h VAL 36 CO -0.11 0.13 -0.29 0.25 -1.23 0.00 0.00 177.57 176.32 2kkp h LEU 37 N 0.74 -0.69 -0.88 4.19 5.85 -1.36 -2.52 115.31 120.63 2kkp h LEU 37 Ca 0.33 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 59.01 2kkp h LEU 37 Cb 0.24 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 2kkp h LEU 37 CO -0.20 -0.41 0.06 0.08 -0.34 0.00 0.00 178.44 177.63 2kkp h ARG 38 N -0.98 0.89 -0.78 1.25 0.11 -1.34 -0.40 114.38 113.13 2kkp h ARG 38 Ca -0.08 -0.22 0.00 0.00 0.10 0.00 0.00 59.98 59.78 2kkp h ARG 38 Cb 0.62 -0.11 -0.04 0.00 1.11 0.00 0.00 29.97 31.55 2kkp h ARG 38 CO 0.14 0.85 0.50 1.25 0.10 0.00 0.00 179.97 182.81 2kkp h LEU 39 N 0.84 0.91 0.00 0.08 5.85 -1.04 -2.91 115.31 119.05 2kkp h LEU 39 Ca 0.17 -0.03 -0.19 0.00 0.84 0.00 0.00 57.88 58.67 2kkp h LEU 39 Cb 0.41 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 2kkp h LEU 39 CO 0.01 0.67 -1.50 1.41 -0.34 0.00 0.00 178.44 178.70 2kkp n HIS 40 N -4.40 0.24 0.03 1.25 8.25 -0.95 -4.64 115.22 115.00 2kkp n HIS 40 Ca 0.09 0.10 -0.03 0.00 -0.26 0.00 0.00 57.72 57.61 2kkp n HIS 40 Cb 0.04 -0.78 -0.09 0.00 1.12 0.00 0.00 29.99 30.28 2kkp n HIS 40 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 2kkp h VAL 41 N -1.00 0.84 -0.15 1.59 3.04 -1.22 -3.36 116.25 115.99 2kkp h VAL 41 Ca -0.28 -2.46 -0.03 0.00 -1.01 0.00 0.00 66.70 62.92 2kkp h VAL 41 Cb 1.18 2.33 -0.01 0.00 -2.01 0.00 0.00 31.29 32.78 2kkp h VAL 41 CO -0.17 0.48 -0.01 0.40 -1.01 0.00 0.00 177.57 177.26 2kkp h ILE 42 N 0.00 1.27 0.00 3.17 5.03 -1.56 0.38 117.51 125.79 2kkp h ILE 42 Ca -0.16 -0.89 0.00 0.00 -0.12 0.00 0.00 64.86 63.69 2kkp h ILE 42 Cb 1.72 1.55 0.00 0.00 -3.03 0.00 0.00 36.82 37.07 2kkp h ILE 42 CO 0.07 0.26 0.00 1.55 -0.68 0.00 0.00 178.15 179.35 2kkp h PRO 43 N 0.00 0.00 0.00 2.37 0.13 -1.74 -1.01 132.00 131.75 2kkp h PRO 43 Ca 0.04 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.92 2kkp h PRO 43 Cb 0.40 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.49 2kkp h PRO 43 CO 0.01 0.00 -1.94 -2.37 -0.23 0.00 0.00 178.00 173.47 2kkp n THR 44 N -2.40 0.94 -0.00 1.56 5.66 -1.15 -4.79 114.28 114.09 2kkp n THR 44 Ca 0.03 -0.33 0.00 0.00 -3.05 0.00 0.00 64.05 60.70 2kkp n THR 44 Cb 0.31 -1.22 0.00 0.00 -1.55 0.00 0.00 70.33 67.88 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 -3.15 0.03 0.11 1.09 4.77 0.12 -4.64 117.00 115.33 2kkp n LEU 45 Ca -0.30 -0.47 0.11 0.00 -0.03 0.00 0.00 56.01 55.32 2kkp n LEU 45 Cb 0.79 0.00 0.46 0.00 -2.33 0.00 0.00 43.42 42.35 2kkp n LEU 45 CO 0.13 0.01 0.82 0.61 -1.33 0.00 0.00 177.39 177.63 2kkp n GLY 46 N 0.87 -1.13 1.11 -0.72 0.00 -0.07 -1.07 105.19 104.18 2kkp n GLY 46 Ca 0.00 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.22 2kkp n GLY 46 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kkp n SER 47 N -2.11 3.29 -4.50 1.61 2.88 -1.24 -1.05 113.62 112.49 2kkp n SER 47 Ca 0.02 -1.97 -0.34 0.00 -1.33 0.00 0.00 58.87 55.25 2kkp n SER 47 Cb 0.18 -0.27 -0.12 0.00 -0.75 0.00 0.00 64.21 63.25 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 -1.47 3.68 0.43 2.46 1.01 -0.23 -4.90 121.20 122.18 2kkp s ILE 48 Ca 0.39 -0.45 -0.25 0.00 0.00 0.00 0.00 60.65 60.34 2kkp s ILE 48 Cb 0.22 -2.57 -0.10 0.00 0.01 0.00 0.00 42.46 40.03 2kkp s ILE 48 CO 0.31 0.53 1.23 -2.65 0.00 0.00 0.00 174.94 174.36 2kkp n PRO 49 N 3.11 1.81 0.28 2.79 -0.02 -1.26 -4.03 135.00 137.67 2kkp n PRO 49 Ca -0.18 0.65 0.11 0.00 -2.02 0.00 0.00 63.50 62.06 2kkp n PRO 49 Cb 0.53 -2.34 0.77 0.00 -0.02 0.00 0.00 33.50 32.44 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 1.95 0.00 0.00 2.45 3.38 -1.94 -0.60 115.31 120.56 2kkp h LEU 50 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2kkp h LEU 50 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2kkp h LEU 50 CO 0.59 0.01 0.00 1.17 0.09 0.00 0.00 178.44 180.30 2kkp n LYS 51 N -4.18 0.97 -0.02 1.13 3.00 -1.26 -1.94 118.16 115.86 2kkp n LYS 51 Ca -0.03 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.29 2kkp n LYS 51 Cb 0.10 -1.44 0.02 0.00 0.00 0.00 0.00 35.03 33.70 2kkp n LYS 51 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2kkp n LYS 52 N -0.94 2.16 -2.67 1.64 5.02 -0.24 -4.99 118.16 118.15 2kkp n LYS 52 Ca 0.21 -1.36 -0.43 0.00 -2.02 0.00 0.00 58.31 54.70 2kkp n LYS 52 Cb 0.09 -1.04 -0.03 0.00 -0.02 0.00 0.00 35.03 34.04 2kkp n LYS 52 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2kkp s LEU 53 N -0.81 3.77 0.10 -0.35 1.98 -0.82 -4.98 118.68 117.56 2kkp s LEU 53 Ca 0.03 0.43 0.07 0.00 -2.89 0.00 0.00 54.13 51.77 2kkp s LEU 53 Cb 0.02 -3.44 -0.04 0.00 0.66 0.00 0.00 46.19 43.38 2kkp s LEU 53 CO 0.02 -1.15 -0.10 -1.10 -1.89 0.00 0.00 176.35 172.13 2kkp s GLN 54 N 4.17 2.16 0.40 1.98 -1.52 -1.26 -4.95 119.66 120.64 2kkp s GLN 54 Ca 0.44 -1.01 0.09 0.00 -1.95 0.00 0.00 55.36 52.94 2kkp s GLN 54 Cb -0.08 -2.32 0.88 0.00 -0.22 0.00 0.00 33.01 31.27 2kkp s GLN 54 CO 0.28 0.51 1.99 -1.00 -0.25 0.00 0.00 175.29 176.83 2kkp h PRO 55 N 3.65 0.56 0.00 2.91 0.13 -1.95 -1.07 132.00 136.23 2kkp h PRO 55 Ca -0.49 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 64.55 2kkp h PRO 55 Cb 1.17 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 2kkp h PRO 55 CO 0.52 0.37 -0.28 0.00 -0.23 0.00 0.00 178.00 178.38 2kkp h ALA 56 N 1.67 1.52 -0.05 -0.56 0.00 -1.93 -1.23 119.26 118.69 2kkp h ALA 56 Ca 0.27 -0.25 -0.24 0.00 0.00 0.00 0.00 54.91 54.68 2kkp h ALA 56 Cb 0.31 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.07 2kkp h ALA 56 CO -0.08 0.35 -0.93 0.22 0.00 0.00 0.00 179.25 178.81 2kkp h ASP 57 N 0.00 0.79 -0.31 0.00 1.82 -1.61 -1.02 116.42 116.09 2kkp h ASP 57 Ca -0.00 -0.60 -0.09 0.00 -0.39 0.00 0.00 57.03 55.95 2kkp h ASP 57 Cb 0.50 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 40.25 2kkp h ASP 57 CO 0.04 1.39 -0.10 0.40 -1.61 0.00 0.00 179.24 179.36 2kkp h ILE 58 N 0.38 1.25 -0.47 2.25 2.04 -1.16 -0.45 117.51 121.36 2kkp h ILE 58 Ca -0.09 -1.13 -0.07 0.00 1.00 0.00 0.00 64.86 64.57 2kkp h ILE 58 Cb 1.56 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.67 2kkp h ILE 58 CO 0.18 0.38 0.00 -0.61 0.00 0.00 0.00 178.15 178.10 2kkp h GLN 59 N 0.66 0.77 -0.67 2.37 4.15 -1.10 -2.40 115.11 118.89 2kkp h GLN 59 Ca 0.12 -0.20 -0.03 0.00 0.77 0.00 0.00 58.65 59.30 2kkp h GLN 59 Cb 0.56 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.13 2kkp h GLN 59 CO 0.03 0.78 0.29 -0.09 -1.93 0.00 0.00 178.83 177.91 2kkp h ARG 60 N 0.72 0.98 -0.07 1.69 2.43 -0.54 -0.93 114.38 118.67 2kkp h ARG 60 Ca 0.14 -0.16 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2kkp h ARG 60 Cb 0.44 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 29.77 2kkp h ARG 60 CO 0.02 0.80 -0.49 1.25 -1.51 0.00 0.00 179.97 180.04 2kkp h LEU 61 N 0.94 -1.55 -0.07 3.80 6.46 -0.62 0.17 115.31 124.43 2kkp h LEU 61 Ca 0.23 0.18 0.02 0.00 -0.12 0.00 0.00 57.88 58.18 2kkp h LEU 61 Cb 0.17 0.60 -0.02 0.00 -0.73 0.00 0.00 40.66 40.68 2kkp h LEU 61 CO -0.02 -0.46 -0.04 1.88 -0.62 0.00 0.00 178.44 179.17 2kkp h TYR 62 N -0.57 -0.11 -0.16 1.25 0.05 -1.33 -2.75 116.97 113.36 2kkp h TYR 62 Ca 0.02 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 2kkp h TYR 62 Cb 0.64 0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.43 2kkp h TYR 62 CO -0.54 -0.07 0.04 0.00 -1.05 0.00 0.00 178.16 176.53 2kkp h ALA 63 N 1.02 0.21 -0.44 3.88 0.00 -0.94 0.16 119.26 123.15 2kkp h ALA 63 Ca 0.05 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2kkp h ALA 63 Cb 0.11 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2kkp h ALA 63 CO -0.10 -0.15 0.03 1.03 0.00 0.00 0.00 179.25 180.05 2kkp h SER 64 N 0.07 0.67 1.25 0.00 0.87 -0.65 -1.93 113.55 113.82 2kkp h SER 64 Ca 0.05 -0.14 -0.03 0.00 -1.23 0.00 0.00 61.79 60.44 2kkp h SER 64 Cb 0.26 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 2kkp h SER 64 CO 0.00 0.72 -0.77 0.11 -0.53 0.00 0.00 176.83 176.37 2kkp h LYS 65 N 0.67 0.00 0.00 2.24 1.79 -1.42 -3.26 116.57 116.59 2kkp h LYS 65 Ca 0.14 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.56 2kkp h LYS 65 Cb 0.38 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.02 2kkp h LYS 65 CO 0.01 0.06 -0.22 1.25 -1.08 0.00 0.00 179.45 179.47 2kkp h LEU 66 N 0.00 0.00 -1.84 2.94 5.85 0.08 -2.06 115.31 120.27 2kkp h LEU 66 Ca -0.02 0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.87 2kkp h LEU 66 Cb 1.09 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 2kkp h LEU 66 CO 0.01 0.22 0.46 -0.33 -0.34 0.00 0.00 178.44 178.46 2kkp h GLU 67 N 0.00 0.15 0.00 1.25 4.39 -1.47 0.19 114.58 119.09 2kkp h GLU 67 Ca -0.00 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 2kkp h GLU 67 Cb 0.47 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2kkp h GLU 67 CO 0.03 0.10 -0.16 1.03 -1.16 0.00 0.00 179.01 178.84 2kkp h SER 68 N 0.15 0.00 0.00 1.42 0.87 -1.58 -3.47 113.55 110.94 2kkp h SER 68 Ca 0.32 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.88 2kkp h SER 68 Cb 1.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 2kkp h SER 68 CO -0.05 0.16 0.00 0.61 -0.53 0.00 0.00 176.83 177.03 2kkp n GLY 69 N 1.11 0.64 3.71 5.77 0.00 0.05 -5.10 105.19 111.38 2kkp n GLY 69 Ca 0.03 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 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 4.39 0.30 0.99 1.43 -1.23 -5.03 118.68 119.53 2kkp s LEU 70 Ca 0.00 1.82 -0.29 0.00 -1.03 0.00 0.00 54.13 54.62 2kkp s LEU 70 Cb 0.00 -3.58 -0.10 0.00 0.03 0.00 0.00 46.19 42.54 2kkp s LEU 70 CO 0.00 -0.31 1.29 -0.44 0.23 0.00 0.00 176.35 177.12 2kkp s SER 71 N 0.87 6.86 0.56 2.29 0.01 -1.26 -4.91 113.70 118.11 2kkp s SER 71 Ca 0.54 2.58 0.25 0.00 1.31 0.00 0.00 55.95 60.63 2kkp s SER 71 Cb -0.25 -2.64 1.50 0.00 0.21 0.00 0.00 66.02 64.85 2kkp s SER 71 CO 0.29 -0.49 2.08 1.55 0.41 0.00 0.00 173.24 177.09 2kkp h PRO 72 N 3.87 0.00 -0.66 12.44 0.13 -1.99 -0.47 132.00 145.32 2kkp h PRO 72 Ca -0.48 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 2kkp h PRO 72 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 2kkp h PRO 72 CO 0.68 0.00 0.27 1.79 -0.23 0.00 0.00 178.00 180.51 2kkp h THR 73 N 0.00 1.24 -0.02 1.56 1.35 -1.99 0.55 112.91 115.60 2kkp h THR 73 Ca 0.11 -0.75 -0.00 0.00 -0.55 0.00 0.00 66.41 65.22 2kkp h THR 73 Cb 0.53 0.49 -0.00 0.00 -1.73 0.00 0.00 68.15 67.43 2kkp h THR 73 CO -0.00 0.30 0.00 0.03 -0.25 0.00 0.00 175.52 175.60 2kkp h ARG 74 N 0.94 0.04 -0.63 4.72 3.08 -1.47 -1.64 114.38 119.42 2kkp h ARG 74 Ca 0.22 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.30 2kkp h ARG 74 Cb 0.21 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.20 2kkp h ARG 74 CO -0.02 0.33 0.36 0.28 -1.07 0.00 0.00 179.97 179.85 2kkp h VAL 75 N -0.25 1.00 -0.79 2.04 2.07 -1.30 0.11 116.25 119.13 2kkp h VAL 75 Ca 0.01 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 2kkp h VAL 75 Cb 0.31 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 2kkp h VAL 75 CO 0.00 0.12 0.46 -0.09 0.02 0.00 0.00 177.57 178.09 2kkp h ARG 76 N 0.68 1.08 -0.35 1.57 2.43 -0.84 0.11 114.38 119.06 2kkp h ARG 76 Ca 0.27 -0.11 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 2kkp h ARG 76 Cb 0.12 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 2kkp h ARG 76 CO -0.15 0.77 0.11 -0.92 -1.51 0.00 0.00 179.97 178.28 2kkp h TYR 77 N 1.09 0.57 -0.91 2.20 5.03 -0.26 -0.65 116.97 124.04 2kkp h TYR 77 Ca 0.28 -0.06 -0.00 0.00 2.58 0.00 0.00 58.73 61.53 2kkp h TYR 77 Cb -0.02 -0.17 -0.04 0.00 1.55 0.00 0.00 36.73 38.05 2kkp h TYR 77 CO -0.00 0.55 0.56 0.82 -1.32 0.00 0.00 178.16 178.77 2kkp h ILE 78 N 0.42 1.24 -0.50 1.81 2.04 -0.51 -0.56 117.51 121.46 2kkp h ILE 78 Ca 0.11 -0.51 -0.08 0.00 1.00 0.00 0.00 64.86 65.39 2kkp h ILE 78 Cb 0.25 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.26 2kkp h ILE 78 CO -0.00 0.25 -0.01 -0.74 0.00 0.00 0.00 178.15 177.64 2kkp h HIS 79 N 1.24 0.90 -0.00 1.37 2.76 -0.32 -0.73 115.15 120.36 2kkp h HIS 79 Ca 0.33 -0.13 -0.01 0.00 -2.20 0.00 0.00 60.37 58.36 2kkp h HIS 79 Cb -0.08 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 28.64 2kkp h HIS 79 CO 0.00 0.83 -0.02 0.28 -1.30 0.00 0.00 177.93 177.72 2kkp h VAL 80 N 0.78 1.53 -0.54 5.26 2.07 -0.66 -2.30 116.25 122.39 2kkp h VAL 80 Ca 0.15 -1.60 -0.07 0.00 0.82 0.00 0.00 66.70 66.00 2kkp h VAL 80 Cb 0.48 2.60 -0.02 0.00 -1.52 0.00 0.00 31.29 32.83 2kkp h VAL 80 CO 0.02 0.42 0.05 1.62 0.02 0.00 0.00 177.57 179.70 2kkp h VAL 81 N -0.64 1.24 -0.38 2.57 3.04 -1.07 -1.84 116.25 119.17 2kkp h VAL 81 Ca -0.00 -0.98 -0.12 0.00 -1.01 0.00 0.00 66.70 64.59 2kkp h VAL 81 Cb 0.70 0.78 -0.01 0.00 -2.01 0.00 0.00 31.29 30.74 2kkp h VAL 81 CO 0.00 0.35 -0.25 0.25 -1.01 0.00 0.00 177.57 176.92 2kkp h LEU 82 N 0.82 0.80 -0.39 3.16 5.85 -1.22 -2.50 115.31 121.83 2kkp h LEU 82 Ca 0.16 -0.30 0.07 0.00 0.84 0.00 0.00 57.88 58.65 2kkp h LEU 82 Cb 0.42 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 2kkp h LEU 82 CO 0.01 1.02 0.02 -0.74 -0.34 0.00 0.00 178.44 178.41 2kkp h HIS 83 N 0.67 0.01 0.44 1.25 -0.00 -0.79 0.03 115.15 116.77 2kkp h HIS 83 Ca 0.09 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.46 2kkp h HIS 83 Cb 0.77 0.05 0.00 0.00 -0.00 0.00 0.00 27.41 28.24 2kkp h HIS 83 CO 0.04 -0.05 -0.21 1.49 -0.00 0.00 0.00 177.93 179.19 2kkp h GLU 84 N 0.13 -0.57 -0.56 5.26 4.57 -1.06 -0.13 114.58 122.21 2kkp h GLU 84 Ca 0.19 0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.38 2kkp h GLU 84 Cb 0.26 0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 2kkp h GLU 84 CO -0.30 -0.35 0.25 0.00 -1.18 0.00 0.00 179.01 177.43 2kkp h ALA 85 N -0.11 0.73 0.00 2.92 0.00 -1.36 -2.36 119.26 119.08 2kkp h ALA 85 Ca -0.06 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 2kkp h ALA 85 Cb 0.48 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2kkp h ALA 85 CO 0.10 0.32 -0.32 0.52 0.00 0.00 0.00 179.25 179.86 2kkp h MET 86 N 0.77 0.00 -0.48 0.00 2.86 -0.91 -2.45 114.93 114.72 2kkp h MET 86 Ca 0.19 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.76 2kkp h MET 86 Cb 0.16 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 2kkp h MET 86 CO -0.02 0.32 0.02 0.77 1.06 0.00 0.00 176.91 179.07 2kkp h SER 87 N 0.00 0.74 -0.11 1.22 0.02 -0.48 0.92 113.55 115.86 2kkp h SER 87 Ca -0.00 -0.17 -0.12 0.00 -0.84 0.00 0.00 61.79 60.66 2kkp h SER 87 Cb 0.62 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 2kkp h SER 87 CO 0.04 0.80 -0.32 1.56 -1.14 0.00 0.00 176.83 177.77 2kkp h GLN 88 N 0.73 0.60 -0.41 3.45 4.20 -1.24 0.35 115.11 122.80 2kkp h GLN 88 Ca 0.15 -0.27 -0.14 0.00 0.06 0.00 0.00 58.65 58.45 2kkp h GLN 88 Cb 0.42 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 2kkp h GLN 88 CO 0.02 0.84 -0.30 0.00 -0.67 0.00 0.00 178.83 178.72 2kkp h ALA 89 N 1.14 0.60 -0.24 3.87 0.00 -1.33 -1.31 119.26 121.99 2kkp h ALA 89 Ca 0.06 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.58 2kkp h ALA 89 Cb 0.80 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2kkp h ALA 89 CO 0.07 0.64 0.06 -0.09 0.00 0.00 0.00 179.25 179.93 2kkp h ARG 90 N 0.77 0.16 0.00 0.00 2.43 -0.36 -1.85 114.38 115.52 2kkp h ARG 90 Ca 0.08 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2kkp h ARG 90 Cb 0.89 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 2kkp h ARG 90 CO 0.08 0.10 0.00 0.39 -1.51 0.00 0.00 179.97 179.04 2kkp n GLU 91 N -5.07 0.09 0.00 0.20 1.02 0.12 -1.86 120.64 115.15 2kkp n GLU 91 Ca -0.02 0.11 0.13 0.00 -0.02 0.00 0.00 57.16 57.37 2kkp n GLU 91 Cb 0.10 -1.50 0.47 0.00 -0.02 0.00 0.00 31.44 30.49 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 -1.44 0.21 0.00 1.62 2.88 -0.50 -4.92 113.62 111.47 2kkp n SER 92 Ca 0.07 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 2kkp n SER 92 Cb 0.23 -0.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 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 1.49 0.69 0.02 0.46 0.00 -0.78 -4.90 105.19 102.19 2kkp n GLY 93 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.20 2kkp n GLY 93 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2kkp n LEU 94 N 0.00 0.64 -4.26 0.99 -0.00 -1.17 -4.91 117.00 108.28 2kkp n LEU 94 Ca 0.00 -0.13 -0.26 0.00 -0.00 0.00 0.00 56.01 55.62 2kkp n LEU 94 Cb 0.00 -0.08 -0.14 0.00 -0.00 0.00 0.00 43.42 43.20 2kkp n LEU 94 CO 0.00 0.10 -0.52 -0.22 -0.00 0.00 0.00 177.39 176.74 2kkp s LEU 95 N -3.66 2.18 0.02 1.47 2.96 -1.23 -4.83 118.68 115.59 2kkp s LEU 95 Ca 0.04 -0.54 -0.24 0.00 -0.22 0.00 0.00 54.13 53.17 2kkp s LEU 95 Cb 0.15 -0.99 -0.18 0.00 0.50 0.00 0.00 46.19 45.68 2kkp s LEU 95 CO 0.82 0.16 1.40 0.25 -1.32 0.00 0.00 176.35 177.65 2kkp h LEU 96 N 4.80 0.07 0.00 -0.68 5.85 -1.91 -3.43 115.31 120.02 2kkp h LEU 96 Ca -0.43 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 57.90 2kkp h LEU 96 Cb 1.16 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 2kkp h LEU 96 CO 0.43 0.42 0.00 0.00 -0.34 0.00 0.00 178.44 178.96 2kkp n GLN 97 N -4.86 0.09 -3.32 1.25 10.64 -1.26 -5.07 117.38 114.84 2kkp n GLN 97 Ca -0.07 -0.27 -0.46 0.00 -1.83 0.00 0.00 57.00 54.37 2kkp n GLN 97 Cb 0.21 0.28 -0.05 0.00 -0.86 0.00 0.00 30.24 29.83 2kkp n GLN 97 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 2kkp s ASN 98 N -1.22 6.23 0.34 2.61 2.47 -1.26 -4.79 114.94 119.32 2kkp s ASN 98 Ca 0.03 -1.90 0.26 0.00 0.42 0.00 0.00 52.86 51.67 2kkp s ASN 98 Cb -0.00 -2.20 1.15 0.00 -1.45 0.00 0.00 41.25 38.75 2kkp s ASN 98 CO 0.02 -0.82 1.78 -0.65 -3.72 0.00 0.00 177.10 173.71 2kkp h PRO 99 N 8.74 0.00 -0.25 0.43 0.11 -1.95 -3.00 132.00 136.09 2kkp h PRO 99 Ca -0.25 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 2kkp h PRO 99 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2kkp h PRO 99 CO 1.00 0.00 0.13 1.15 -0.21 0.00 0.00 178.00 180.07 2kkp h THR 100 N 0.00 1.13 0.00 -1.15 2.02 -1.91 -0.07 112.91 112.94 2kkp h THR 100 Ca 0.00 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 2kkp h THR 100 Cb 0.32 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2kkp h THR 100 CO 0.00 0.13 -0.26 -0.33 0.37 0.00 0.00 175.52 175.43 2kkp h GLU 101 N 0.28 0.00 0.00 6.66 5.08 -1.87 -2.72 114.58 122.01 2kkp h GLU 101 Ca 0.09 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 2kkp h GLU 101 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2kkp h GLU 101 CO -0.01 0.02 -0.28 0.00 -1.00 0.00 0.00 179.01 177.73 2kkp h ALA 102 N 1.98 0.97 -1.80 3.43 0.00 -1.46 -3.40 119.26 118.98 2kkp h ALA 102 Ca -0.00 -0.26 -0.62 0.00 0.00 0.00 0.00 54.91 54.03 2kkp h ALA 102 Cb 1.02 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 18.63 2kkp h ALA 102 CO 0.00 0.36 0.51 0.00 0.00 0.00 0.00 179.25 180.11 2kkp s ALA 103 N -3.53 3.17 -0.17 0.00 0.00 -0.06 -4.96 121.76 116.21 2kkp s ALA 103 Ca 0.01 -1.43 -0.04 0.00 0.00 0.00 0.00 51.96 50.50 2kkp s ALA 103 Cb 0.10 -3.72 -0.02 0.00 0.00 0.00 0.00 23.12 19.47 2kkp s ALA 103 CO 0.66 -2.44 -0.03 0.15 0.00 0.00 0.00 175.76 174.10 2kkp s LYS 104 N 3.84 3.61 0.52 0.00 1.02 -1.26 -4.89 119.74 122.57 2kkp s LYS 104 Ca 0.27 -0.54 -0.21 0.00 0.02 0.00 0.00 55.97 55.51 2kkp s LYS 104 Cb -0.14 -2.96 -0.06 0.00 -0.52 0.00 0.00 37.83 34.15 2kkp s LYS 104 CO 0.16 0.13 1.18 -2.14 -0.92 0.00 0.00 175.35 173.77 2kkp s PRO 105 N 0.66 3.44 0.67 -1.68 0.02 -1.26 -5.00 135.00 131.85 2kkp s PRO 105 Ca -0.02 1.79 -0.17 0.00 0.02 0.00 0.00 61.00 62.62 2kkp s PRO 105 Cb -0.14 -2.19 0.00 0.00 0.02 0.00 0.00 34.50 32.19 2kkp s PRO 105 CO 0.02 -0.82 1.22 -2.14 -0.33 0.00 0.00 177.00 174.95 2kkp s PRO 106 N -3.00 2.51 -0.85 5.54 0.02 -1.26 -3.10 135.00 134.87 2kkp s PRO 106 Ca 0.69 1.81 0.00 0.00 0.02 0.00 0.00 61.00 63.53 2kkp s PRO 106 Cb -0.29 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.36 2kkp s PRO 106 CO 0.34 -1.56 0.00 0.54 -0.33 0.00 0.00 177.00 175.98 2kkp n ARG 107 N -2.20 -0.83 -3.60 5.54 5.12 -1.26 -4.98 116.66 114.45 2kkp n ARG 107 Ca 0.14 0.72 -0.40 0.00 -1.93 0.00 0.00 57.85 56.38 2kkp n ARG 107 Cb 0.50 -4.63 -0.09 0.00 -1.16 0.00 0.00 32.46 27.08 2kkp n ARG 107 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2kkp s HIS 108 N -2.16 3.45 0.00 -1.55 2.46 -1.18 -5.06 115.29 111.25 2kkp s HIS 108 Ca 0.00 -1.95 0.00 0.00 0.47 0.00 0.00 55.06 53.58 2kkp s HIS 108 Cb 0.00 -3.41 0.00 0.00 -0.13 0.00 0.00 32.58 29.04 2kkp s HIS 108 CO 0.00 -0.98 0.00 -0.35 -2.47 0.00 0.00 174.74 170.94 2kkp n PRO 109 N 4.85 3.47 -2.40 2.88 -0.04 -1.26 -4.79 135.00 137.71 2kkp n PRO 109 Ca -0.07 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.23 2kkp n PRO 109 Cb 0.41 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.87 2kkp n PRO 109 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kkp n LEU 110 N 0.00 -1.84 0.17 1.53 4.77 -1.26 -4.87 117.00 115.50 2kkp n LEU 110 Ca 0.00 -0.05 0.05 0.00 -0.03 0.00 0.00 56.01 55.98 2kkp n LEU 110 Cb 0.00 -2.32 0.18 0.00 -2.33 0.00 0.00 43.42 38.96 2kkp n LEU 110 CO 0.00 -0.10 0.60 1.05 -1.33 0.00 0.00 177.39 177.62 2kkp h GLU 111 N -0.21 0.00 -5.15 3.23 -0.00 -2.05 -3.39 114.58 107.02 2kkp h GLU 111 Ca -0.37 0.00 -0.66 0.00 -0.00 0.00 0.00 59.36 58.33 2kkp h GLU 111 Cb 1.27 0.00 -0.16 0.00 -0.00 0.00 0.00 28.75 29.86 2kkp h GLU 111 CO 0.43 0.39 -0.10 -1.01 -0.00 0.00 0.00 179.01 178.72 2kkp s HIS 112 N -3.23 3.18 -0.08 2.06 3.76 -1.26 -5.05 115.29 114.65 2kkp s HIS 112 Ca 0.03 0.05 -0.05 0.00 -0.15 0.00 0.00 55.06 54.95 2kkp s HIS 112 Cb 0.09 -2.90 0.04 0.00 1.11 0.00 0.00 32.58 30.91 2kkp s HIS 112 CO 0.71 -0.56 0.20 -3.38 -0.85 0.00 0.00 174.74 170.86 2kkp s HIS 113 N 2.32 -0.25 -1.09 1.40 -3.43 -1.26 -5.07 115.29 107.91 2kkp s HIS 113 Ca 0.17 0.63 -0.15 0.00 -0.80 0.00 0.00 55.06 54.91 2kkp s HIS 113 Cb -0.16 0.01 0.18 0.00 -1.43 0.00 0.00 32.58 31.18 2kkp s HIS 113 CO 0.13 -0.18 1.26 -1.01 -2.00 0.00 0.00 174.74 172.94 2kkp s HIS 114 N 0.99 3.51 -0.23 0.38 3.76 -1.26 -4.97 115.29 117.46 2kkp s HIS 114 Ca -0.07 -1.98 0.02 0.00 -0.15 0.00 0.00 55.06 52.87 2kkp s HIS 114 Cb -0.09 -4.21 0.05 0.00 1.11 0.00 0.00 32.58 29.44 2kkp s HIS 114 CO -0.06 -1.34 -0.11 -1.58 -0.85 0.00 0.00 174.74 170.81 2kkp s HIS 115 N 1.44 2.83 -0.66 1.40 5.04 -1.26 -5.07 115.29 119.01 2kkp s HIS 115 Ca 0.37 -1.96 -0.22 0.00 -1.54 0.00 0.00 55.06 51.70 2kkp s HIS 115 Cb -0.05 -1.79 0.07 0.00 0.04 0.00 0.00 32.58 30.86 2kkp s HIS 115 CO -0.04 -0.82 0.95 -1.58 -2.34 0.00 0.00 174.74 170.91 2kkp s HIS 116 N 1.25 2.71 -0.52 3.88 2.46 -1.26 -5.31 115.29 118.51 2kkp s HIS 116 Ca -0.05 -0.61 0.04 0.00 0.47 0.00 0.00 55.06 54.91 2kkp s HIS 116 Cb -0.18 -4.27 0.03 0.00 -0.13 0.00 0.00 32.58 28.03 2kkp s HIS 116 CO -0.07 -1.62 0.63 1.58 -2.47 0.00 0.00 174.74 172.80