#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 2.90 -3.27 1.12 -5.35 -1.26 -4.67 119.36 108.84 2kkp n ILE 2 Ca 0.00 -2.59 -0.15 0.00 -0.27 0.00 0.00 62.75 59.74 2kkp n ILE 2 Cb 0.00 -2.48 -0.06 0.00 -1.74 0.00 0.00 39.64 35.36 2kkp n ILE 2 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2kkp s GLU 3 N 3.97 0.76 -0.53 6.28 2.56 -1.26 -5.02 118.70 125.47 2kkp s GLU 3 Ca 0.52 -1.01 0.00 0.00 0.00 0.00 0.00 54.97 54.48 2kkp s GLU 3 Cb 0.13 -0.65 0.47 0.00 2.00 0.00 0.00 34.13 36.08 2kkp s GLU 3 CO -0.00 -1.24 1.96 -0.35 -0.56 0.00 0.00 175.26 175.07 2kkp n PRO 4 N 3.88 2.37 0.17 4.30 -0.04 -1.26 -4.66 135.00 139.76 2kkp n PRO 4 Ca 0.15 -2.84 0.10 0.00 -0.04 0.00 0.00 63.50 60.86 2kkp n PRO 4 Cb 0.48 -2.12 0.61 0.00 -0.04 0.00 0.00 33.50 32.44 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 1.54 0.08 -0.84 3.54 0.02 -1.96 -1.04 113.55 114.89 2kkp h SER 5 Ca 0.55 -0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 61.01 2kkp h SER 5 Cb 1.48 -0.02 -0.27 0.00 0.14 0.00 0.00 62.40 63.73 2kkp h SER 5 CO 1.27 0.06 0.45 2.29 -1.14 0.00 0.00 176.83 179.76 2kkp n LYS 6 N -4.50 2.38 0.11 3.45 2.85 -1.26 -2.05 118.16 119.14 2kkp n LYS 6 Ca 0.00 -3.21 -0.03 0.00 -1.05 0.00 0.00 58.31 54.02 2kkp n LYS 6 Cb 0.18 -2.14 0.08 0.00 -0.65 0.00 0.00 35.03 32.50 2kkp n LYS 6 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 177.40 178.32 2kkp h ILE 7 N 1.08 1.51 -2.54 0.58 2.10 -1.55 -3.36 117.51 115.33 2kkp h ILE 7 Ca 0.52 -2.46 -0.51 0.00 1.08 0.00 0.00 64.86 63.49 2kkp h ILE 7 Cb 1.97 2.33 -0.14 0.00 -1.09 0.00 0.00 36.82 39.89 2kkp h ILE 7 CO 1.06 0.71 -0.68 0.42 -1.08 0.00 0.00 178.15 178.58 2kkp s THR 8 N -3.37 1.75 0.07 2.19 -4.23 -1.26 -2.60 115.64 108.18 2kkp s THR 8 Ca -0.01 -2.14 -0.19 0.00 -1.18 0.00 0.00 61.69 58.17 2kkp s THR 8 Cb 0.12 -2.47 -0.10 0.00 1.34 0.00 0.00 72.50 71.38 2kkp s THR 8 CO 0.78 -0.29 1.44 0.58 -0.54 0.00 0.00 174.62 176.59 2kkp h VAL 9 N 2.24 1.30 -0.59 2.29 2.07 -0.81 -3.08 116.25 119.67 2kkp h VAL 9 Ca -0.40 -1.13 -0.05 0.00 0.82 0.00 0.00 66.70 65.94 2kkp h VAL 9 Cb 1.24 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 32.56 2kkp h VAL 9 CO 0.67 0.35 0.18 1.05 0.02 0.00 0.00 177.57 179.84 2kkp h GLU 10 N 0.16 0.90 -0.18 1.57 4.11 -1.85 -1.40 114.58 117.90 2kkp h GLU 10 Ca 0.05 -0.17 -0.18 0.00 0.07 0.00 0.00 59.36 59.13 2kkp h GLU 10 Cb 0.57 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.68 2kkp h GLU 10 CO 0.03 0.78 -0.57 0.37 0.07 0.00 0.00 179.01 179.68 2kkp h GLN 11 N 0.87 0.70 -0.20 1.06 4.15 -1.81 -0.81 115.11 119.08 2kkp h GLN 11 Ca 0.20 -0.52 -0.03 0.00 0.77 0.00 0.00 58.65 59.06 2kkp h GLN 11 Cb 0.26 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 2kkp h GLN 11 CO -0.01 1.14 -0.01 2.35 -1.93 0.00 0.00 178.83 180.37 2kkp h TRP 12 N 0.40 0.39 -0.06 3.99 7.01 -1.25 -2.28 115.95 124.16 2kkp h TRP 12 Ca -0.02 -0.07 -0.03 0.00 2.11 0.00 0.00 58.89 60.88 2kkp h TRP 12 Cb 1.20 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 28.15 2kkp h TRP 12 CO 0.09 0.56 -0.08 -0.07 -2.79 0.00 0.00 178.44 176.15 2kkp h LEU 13 N 0.11 0.07 0.28 0.65 -0.00 -1.27 0.45 115.31 115.60 2kkp h LEU 13 Ca 0.06 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.91 2kkp h LEU 13 Cb 0.41 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.06 2kkp h LEU 13 CO 0.01 0.17 -0.14 -1.13 -0.00 0.00 0.00 178.44 177.36 2kkp h ASN 14 N 0.08 -0.32 0.54 -0.43 -0.73 -0.82 0.14 115.58 114.03 2kkp h ASN 14 Ca 0.02 -0.05 -0.10 0.00 1.87 0.00 0.00 56.30 58.04 2kkp h ASN 14 Cb 0.20 0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.86 2kkp h ASN 14 CO 0.01 -0.15 -0.48 0.03 -0.37 0.00 0.00 177.43 176.47 2kkp h ARG 15 N -0.47 0.00 0.60 6.67 3.08 -0.94 -2.30 114.38 121.01 2kkp h ARG 15 Ca -0.04 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 2kkp h ARG 15 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 2kkp h ARG 15 CO 0.06 0.48 -0.42 2.35 -1.07 0.00 0.00 179.97 181.37 2kkp h TRP 16 N 0.00 -1.13 0.00 3.04 7.01 0.12 -2.60 115.95 122.40 2kkp h TRP 16 Ca -0.00 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 60.97 2kkp h TRP 16 Cb 0.88 0.41 -0.00 0.00 -2.10 0.00 0.00 29.16 28.35 2kkp h TRP 16 CO 0.00 -0.62 -0.09 1.37 -2.79 0.00 0.00 178.44 176.32 2kkp h LEU 17 N -0.98 0.00 -0.25 0.65 8.10 -0.87 0.31 115.31 122.27 2kkp h LEU 17 Ca -0.07 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.90 2kkp h LEU 17 Cb 0.81 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.02 2kkp h LEU 17 CO 0.04 0.09 0.07 0.74 -4.11 0.00 0.00 178.44 175.27 2kkp h THR 18 N 0.00 1.20 0.03 0.15 2.02 -1.05 -2.85 112.91 112.41 2kkp h THR 18 Ca -0.00 -0.64 -0.39 0.00 0.77 0.00 0.00 66.41 66.15 2kkp h THR 18 Cb 0.34 1.15 -0.05 0.00 -1.74 0.00 0.00 68.15 67.84 2kkp h THR 18 CO 0.01 0.21 -2.31 -0.67 0.37 0.00 0.00 175.52 173.13 2kkp n ASP 19 N -4.74 2.01 0.17 4.18 2.03 -1.00 -3.35 116.55 115.86 2kkp n ASP 19 Ca -0.03 0.04 0.02 0.00 0.52 0.00 0.00 54.79 55.33 2kkp n ASP 19 Cb 0.16 -0.60 0.33 0.00 -0.72 0.00 0.00 41.12 40.28 2kkp n ASP 19 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 2kkp h TYR 20 N -0.16 0.05 0.00 -0.67 -1.99 -0.54 -3.02 116.97 110.64 2kkp h TYR 20 Ca -0.55 -0.01 -0.05 0.00 2.00 0.00 0.00 58.73 60.12 2kkp h TYR 20 Cb 1.87 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 40.58 2kkp h TYR 20 CO 0.03 0.42 -0.32 0.00 -0.00 0.00 0.00 178.16 178.29 2kkp h ALA 21 N 1.57 0.06 -5.22 3.88 0.00 -1.64 -3.50 119.26 114.41 2kkp h ALA 21 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2kkp h ALA 21 Cb 0.70 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 2kkp h ALA 21 CO 0.05 0.19 -1.16 1.17 0.00 0.00 0.00 179.25 179.51 2kkp n LYS 22 N -4.60 -3.58 -1.61 0.00 3.00 -1.15 -4.53 118.16 105.71 2kkp n LYS 22 Ca -0.13 2.83 -0.39 0.00 -0.00 0.00 0.00 58.31 60.62 2kkp n LYS 22 Cb 0.43 -4.83 -0.03 0.00 0.00 0.00 0.00 35.03 30.60 2kkp n LYS 22 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2kkp s PRO 23 N -1.23 2.52 0.00 1.64 0.04 -1.26 -4.64 135.00 132.08 2kkp s PRO 23 Ca -0.09 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.55 2kkp s PRO 23 Cb 0.01 -4.49 0.00 0.00 0.04 0.00 0.00 34.50 30.06 2kkp s PRO 23 CO 0.71 -2.80 0.00 1.58 0.04 0.00 0.00 177.00 176.53 2kkp n HIS 24 N 14.12 0.00 -1.22 0.56 -0.00 -1.26 -5.06 115.22 122.36 2kkp n HIS 24 Ca 0.33 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.51 2kkp n HIS 24 Cb 0.51 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.38 2kkp n HIS 24 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2kkp n LEU 25 N -0.99 0.00 0.00 0.27 4.77 -1.26 -5.03 117.00 114.76 2kkp n LEU 25 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2kkp n LEU 25 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2kkp n LEU 25 CO 0.00 0.09 0.00 -1.14 -1.33 0.00 0.00 177.39 175.01 2kkp n ARG 26 N 0.00 0.00 -3.75 3.23 3.00 -1.26 -4.76 116.66 113.12 2kkp n ARG 26 Ca 0.00 0.29 -0.28 0.00 -0.00 0.00 0.00 57.85 57.86 2kkp n ARG 26 Cb 0.13 -0.79 -0.10 0.00 0.00 0.00 0.00 32.46 31.69 2kkp n ARG 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2kkp n GLN 27 N -2.16 2.11 -0.11 -0.14 6.02 -1.26 -4.70 117.38 117.14 2kkp n GLN 27 Ca 0.00 -4.54 0.01 0.00 -0.01 0.00 0.00 57.00 52.45 2kkp n GLN 27 Cb 0.00 -2.29 0.01 0.00 1.02 0.00 0.00 30.24 28.98 2kkp n GLN 27 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2kkp n SER 28 N 1.68 0.50 -0.38 1.08 3.41 -1.26 -4.77 113.62 113.88 2kkp n SER 28 Ca 0.23 -1.52 0.04 0.00 -0.26 0.00 0.00 58.87 57.36 2kkp n SER 28 Cb 0.37 -0.07 0.06 0.00 -0.26 0.00 0.00 64.21 64.31 2kkp n SER 28 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2kkp n THR 29 N -0.18 0.40 -3.56 6.66 -1.04 -1.26 -4.85 114.28 110.44 2kkp n THR 29 Ca 0.01 -0.70 -0.39 0.00 -2.04 0.00 0.00 64.05 60.93 2kkp n THR 29 Cb 0.51 0.90 -0.05 0.00 -1.82 0.00 0.00 70.33 69.87 2kkp n THR 29 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 2kkp s TRP 30 N -0.80 3.83 -0.35 -1.42 0.52 -1.26 -4.79 118.94 114.67 2kkp s TRP 30 Ca 0.12 -2.76 0.23 0.00 0.02 0.00 0.00 56.10 53.71 2kkp s TRP 30 Cb 0.08 -3.42 0.19 0.00 -1.15 0.00 0.00 33.47 29.17 2kkp s TRP 30 CO 0.11 -0.83 1.36 1.49 0.02 0.00 0.00 176.95 179.09 2kkp h GLU 31 N 6.59 0.00 -0.43 4.98 4.81 -2.00 -3.36 114.58 125.16 2kkp h GLU 31 Ca 0.12 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.41 2kkp h GLU 31 Cb 0.89 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.21 2kkp h GLU 31 CO 0.84 0.00 0.10 0.66 -0.73 0.00 0.00 179.01 179.87 2kkp h SER 32 N 0.00 0.03 -0.80 1.04 4.64 -1.99 0.23 113.55 116.70 2kkp h SER 32 Ca 0.00 0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 2kkp h SER 32 Cb 1.00 0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 63.14 2kkp h SER 32 CO 0.00 0.05 0.45 1.88 -0.87 0.00 0.00 176.83 178.34 2kkp h TYR 33 N 0.23 1.09 0.33 4.77 -1.99 -1.99 -2.14 116.97 117.27 2kkp h TYR 33 Ca 0.21 -0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.90 2kkp h TYR 33 Cb 0.26 -0.35 0.00 0.00 2.00 0.00 0.00 36.73 38.64 2kkp h TYR 33 CO -0.20 0.75 -0.16 0.93 -0.00 0.00 0.00 178.16 179.48 2kkp h GLU 34 N 1.10 -0.42 0.40 4.88 5.08 -1.41 -2.68 114.58 121.52 2kkp h GLU 34 Ca 0.28 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 2kkp h GLU 34 Cb 0.02 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2kkp h GLU 34 CO -0.05 -0.20 -0.42 1.15 -1.00 0.00 0.00 179.01 178.50 2kkp h THR 35 N -0.56 0.00 -0.95 1.13 2.02 -0.41 0.04 112.91 114.18 2kkp h THR 35 Ca -0.04 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.14 2kkp h THR 35 Cb 0.42 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.78 2kkp h THR 35 CO 0.07 0.00 0.62 -0.37 0.37 0.00 0.00 175.52 176.22 2kkp h VAL 36 N -0.82 1.25 0.51 3.16 -1.51 -1.49 -0.87 116.25 116.48 2kkp h VAL 36 Ca -0.05 -0.46 -0.03 0.00 -1.23 0.00 0.00 66.70 64.94 2kkp h VAL 36 Cb 0.71 -0.15 0.01 0.00 -2.13 0.00 0.00 31.29 29.73 2kkp h VAL 36 CO -0.06 0.24 -0.25 0.25 -1.23 0.00 0.00 177.57 176.52 2kkp h LEU 37 N 1.29 -0.59 -1.17 4.19 5.85 -1.34 -2.71 115.31 120.82 2kkp h LEU 37 Ca 0.35 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 59.07 2kkp h LEU 37 Cb -0.14 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 2kkp h LEU 37 CO -0.07 -0.23 0.30 0.08 -0.34 0.00 0.00 178.44 178.17 2kkp h ARG 38 N -1.06 0.87 -0.40 1.25 0.11 -0.96 -1.22 114.38 112.98 2kkp h ARG 38 Ca -0.07 -0.11 -0.05 0.00 0.10 0.00 0.00 59.98 59.85 2kkp h ARG 38 Cb 0.53 -0.17 -0.02 0.00 1.11 0.00 0.00 29.97 31.43 2kkp h ARG 38 CO 0.12 0.68 0.07 1.25 0.10 0.00 0.00 179.97 182.18 2kkp h LEU 39 N 0.87 0.63 0.07 0.08 5.85 -1.22 -2.93 115.31 118.66 2kkp h LEU 39 Ca 0.22 -0.25 -0.34 0.00 0.84 0.00 0.00 57.88 58.34 2kkp h LEU 39 Cb 0.09 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 2kkp h LEU 39 CO -0.03 0.72 -1.87 1.41 -0.34 0.00 0.00 178.44 178.34 2kkp n HIS 40 N -4.53 1.03 -0.07 1.25 8.25 -1.02 -4.58 115.22 115.54 2kkp n HIS 40 Ca -0.01 0.28 -0.05 0.00 -0.26 0.00 0.00 57.72 57.68 2kkp n HIS 40 Cb 0.23 -1.13 -0.15 0.00 1.12 0.00 0.00 29.99 30.06 2kkp n HIS 40 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 2kkp n VAL 41 N -3.76 1.13 -0.02 1.59 3.14 -0.49 -4.16 118.33 115.76 2kkp n VAL 41 Ca -0.34 -0.77 -0.12 0.00 -2.96 0.00 0.00 64.34 60.14 2kkp n VAL 41 Cb 0.94 -0.44 -0.07 0.00 -1.06 0.00 0.00 33.84 33.20 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 1.24 0.00 1.55 2.04 -1.59 0.45 117.51 121.20 2kkp h ILE 42 Ca -0.40 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 64.73 2kkp h ILE 42 Cb 1.95 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 39.63 2kkp h ILE 42 CO 0.03 0.20 0.00 -0.81 0.00 0.00 0.00 178.15 177.57 2kkp n PRO 43 N -4.87 0.21 -0.05 2.37 -0.04 -1.26 -1.67 135.00 129.70 2kkp n PRO 43 Ca -0.07 0.38 -0.04 0.00 -0.04 0.00 0.00 63.50 63.73 2kkp n PRO 43 Cb 0.18 -1.86 -0.01 0.00 -0.04 0.00 0.00 33.50 31.76 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 -2.25 0.80 0.24 0.52 -2.24 -1.06 -4.79 114.28 105.51 2kkp n THR 44 Ca 0.03 0.31 0.03 0.00 -2.27 0.00 0.00 64.05 62.15 2kkp n THR 44 Cb 0.27 -1.97 0.01 0.00 -2.10 0.00 0.00 70.33 66.54 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 -3.56 1.16 0.28 3.22 4.77 0.80 -4.57 117.00 119.10 2kkp n LEU 45 Ca -0.07 -0.87 0.17 0.00 -0.03 0.00 0.00 56.01 55.21 2kkp n LEU 45 Cb 0.25 0.00 0.67 0.00 -2.33 0.00 0.00 43.42 42.01 2kkp n LEU 45 CO 0.10 0.25 0.99 1.23 -1.33 0.00 0.00 177.39 178.62 2kkp h GLY 46 N 1.13 0.00 1.74 -0.72 0.00 0.64 -1.13 103.07 104.72 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 -1.14 0.00 0.00 0.00 176.54 175.40 2kkp n SER 47 N -3.10 0.00 -4.77 0.19 3.41 -1.19 -0.93 113.62 107.23 2kkp n SER 47 Ca 0.01 0.12 -0.36 0.00 -0.26 0.00 0.00 58.87 58.38 2kkp n SER 47 Cb 0.31 -0.37 -0.07 0.00 -0.26 0.00 0.00 64.21 63.82 2kkp n SER 47 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2kkp s ILE 48 N -2.74 5.39 0.46 -1.33 1.01 -0.43 -4.82 121.20 118.73 2kkp s ILE 48 Ca 0.22 0.32 -0.23 0.00 0.00 0.00 0.00 60.65 60.96 2kkp s ILE 48 Cb 0.19 -3.51 -0.09 0.00 0.01 0.00 0.00 42.46 39.07 2kkp s ILE 48 CO 0.47 0.48 1.07 -0.81 0.00 0.00 0.00 174.94 176.15 2kkp n PRO 49 N 3.06 1.41 -0.35 2.79 -0.04 -1.07 -2.68 135.00 138.12 2kkp n PRO 49 Ca -0.16 0.51 0.04 0.00 -0.04 0.00 0.00 63.50 63.85 2kkp n PRO 49 Cb 0.53 -2.16 0.19 0.00 -0.04 0.00 0.00 33.50 32.01 2kkp n PRO 49 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2kkp h LEU 50 N 1.46 0.94 -1.15 1.53 3.38 -1.81 -0.06 115.31 119.61 2kkp h LEU 50 Ca -0.46 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 2kkp h LEU 50 Cb 1.33 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 2kkp h LEU 50 CO 0.56 0.57 -0.09 0.50 0.09 0.00 0.00 178.44 180.07 2kkp h LYS 51 N 1.06 0.00 0.00 1.13 3.64 -1.87 -2.71 116.57 117.82 2kkp h LYS 51 Ca 0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 2kkp h LYS 51 Cb 0.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2kkp h LYS 51 CO -0.21 0.09 -0.93 1.17 -2.27 0.00 0.00 179.45 177.30 2kkp n LYS 52 N -3.20 0.45 -1.86 1.90 4.81 -0.17 -4.90 118.16 115.19 2kkp n LYS 52 Ca 0.01 0.07 -0.42 0.00 -0.87 0.00 0.00 58.31 57.10 2kkp n LYS 52 Cb 0.38 -1.73 -0.03 0.00 0.02 0.00 0.00 35.03 33.67 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 -4.70 4.37 0.08 3.14 1.98 -0.40 -4.96 118.68 118.19 2kkp s LEU 53 Ca 0.02 2.67 0.05 0.00 -2.89 0.00 0.00 54.13 53.99 2kkp s LEU 53 Cb 0.12 -3.59 -0.04 0.00 0.66 0.00 0.00 46.19 43.34 2kkp s LEU 53 CO 0.78 -0.89 -0.04 -1.10 -1.89 0.00 0.00 176.35 173.20 2kkp s GLN 54 N 1.58 2.41 0.60 1.98 -0.21 -1.26 -5.00 119.66 119.75 2kkp s GLN 54 Ca 0.73 -0.88 0.33 0.00 0.02 0.00 0.00 55.36 55.55 2kkp s GLN 54 Cb -0.45 -2.46 1.90 0.00 1.00 0.00 0.00 33.01 33.01 2kkp s GLN 54 CO 0.32 0.54 2.25 -1.35 -2.12 0.00 0.00 175.29 174.93 2kkp h PRO 55 N 3.65 0.00 -0.30 2.91 0.11 -1.93 -1.35 132.00 135.09 2kkp h PRO 55 Ca -0.48 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 2kkp h PRO 55 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2kkp h PRO 55 CO 0.56 0.02 -0.23 0.00 -0.21 0.00 0.00 178.00 178.14 2kkp h ALA 56 N 1.98 1.05 -0.29 -0.75 0.00 -1.91 0.10 119.26 119.45 2kkp h ALA 56 Ca -0.00 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.40 2kkp h ALA 56 Cb 0.05 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2kkp h ALA 56 CO 0.00 0.57 -0.49 -0.44 0.00 0.00 0.00 179.25 178.90 2kkp h ASP 57 N 0.50 0.86 -0.55 0.00 5.19 -1.66 -0.47 116.42 120.29 2kkp h ASP 57 Ca 0.08 -0.44 -0.11 0.00 -0.62 0.00 0.00 57.03 55.94 2kkp h ASP 57 Cb 0.67 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.91 2kkp h ASP 57 CO 0.05 1.20 -0.09 0.40 -3.12 0.00 0.00 179.24 177.68 2kkp h ILE 58 N 0.62 1.27 -0.08 0.35 2.04 -1.26 0.26 117.51 120.71 2kkp h ILE 58 Ca 0.03 -1.25 0.03 0.00 1.00 0.00 0.00 64.86 64.66 2kkp h ILE 58 Cb 1.07 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 2kkp h ILE 58 CO 0.11 0.45 -0.10 -0.61 0.00 0.00 0.00 178.15 178.00 2kkp h GLN 59 N 0.93 -0.12 -0.46 2.37 -0.00 -0.67 0.67 115.11 117.83 2kkp h GLN 59 Ca 0.15 0.01 0.07 0.00 -0.00 0.00 0.00 58.65 58.88 2kkp h GLN 59 Cb 0.66 0.03 -0.06 0.00 0.00 0.00 0.00 27.48 28.11 2kkp h GLN 59 CO 0.05 -0.08 0.12 -0.09 0.00 0.00 0.00 178.83 178.82 2kkp h ARG 60 N -0.13 0.25 -0.96 1.69 2.43 -0.74 -0.86 114.38 116.07 2kkp h ARG 60 Ca 0.06 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.27 2kkp h ARG 60 Cb 0.22 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.65 2kkp h ARG 60 CO -0.16 0.17 0.62 1.25 -1.51 0.00 0.00 179.97 180.34 2kkp h LEU 61 N 0.26 1.01 -0.22 3.80 7.12 0.09 0.52 115.31 127.90 2kkp h LEU 61 Ca 0.22 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 58.21 2kkp h LEU 61 Cb 0.27 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 40.17 2kkp h LEU 61 CO -0.27 0.67 0.04 1.88 -0.13 0.00 0.00 178.44 180.63 2kkp h TYR 62 N 1.17 0.38 -0.48 1.25 0.05 -0.02 -1.81 116.97 117.51 2kkp h TYR 62 Ca 0.40 -0.05 -0.03 0.00 0.05 0.00 0.00 58.73 59.10 2kkp h TYR 62 Cb 0.08 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 37.69 2kkp h TYR 62 CO -0.01 0.49 0.19 0.00 -1.05 0.00 0.00 178.16 177.78 2kkp h ALA 63 N 0.85 0.62 0.00 3.88 0.00 -0.59 -2.58 119.26 121.43 2kkp h ALA 63 Ca 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2kkp h ALA 63 Cb 0.31 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2kkp h ALA 63 CO 0.00 0.23 -0.05 0.77 0.00 0.00 0.00 179.25 180.20 2kkp h SER 64 N 0.63 0.00 0.00 0.00 0.02 0.17 0.20 113.55 114.57 2kkp h SER 64 Ca 0.16 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.98 2kkp h SER 64 Cb 0.19 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.74 2kkp h SER 64 CO -0.01 0.05 -0.50 0.11 -1.14 0.00 0.00 176.83 175.33 2kkp h LYS 65 N 0.00 0.34 -0.21 3.45 1.57 -0.96 -3.01 116.57 117.75 2kkp h LYS 65 Ca -0.00 -0.37 -0.09 0.00 -1.87 0.00 0.00 60.65 58.33 2kkp h LYS 65 Cb 0.14 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2kkp h LYS 65 CO 0.01 1.05 -0.25 1.25 -0.57 0.00 0.00 179.45 180.94 2kkp h LEU 66 N -0.23 0.39 -1.78 2.94 5.85 -0.93 -1.52 115.31 120.03 2kkp h LEU 66 Ca -0.06 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.54 2kkp h LEU 66 Cb 1.23 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 2kkp h LEU 66 CO 0.10 0.65 0.16 -0.33 -0.34 0.00 0.00 178.44 178.67 2kkp h GLU 67 N 0.35 0.30 0.00 1.25 4.39 -0.72 -1.03 114.58 119.11 2kkp h GLU 67 Ca 0.05 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2kkp h GLU 67 Cb 0.63 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 2kkp h GLU 67 CO 0.05 0.20 0.00 0.45 -1.16 0.00 0.00 179.01 178.54 2kkp n SER 68 N -4.50 0.69 -0.01 1.42 2.88 -0.62 -4.90 113.62 108.57 2kkp n SER 68 Ca 0.01 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 58.11 2kkp n SER 68 Cb 0.08 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 2kkp n SER 68 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kkp n GLY 69 N 1.28 1.56 3.74 0.46 0.00 -0.39 -5.07 105.19 106.77 2kkp n GLY 69 Ca 0.06 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.03 4.46 0.29 0.99 1.43 -0.93 -5.02 118.68 119.87 2kkp s LEU 70 Ca 0.00 1.53 -0.30 0.00 -1.03 0.00 0.00 54.13 54.33 2kkp s LEU 70 Cb 0.00 -3.31 -0.11 0.00 0.03 0.00 0.00 46.19 42.80 2kkp s LEU 70 CO 0.00 -0.01 1.52 -0.44 0.23 0.00 0.00 176.35 177.65 2kkp s SER 71 N -0.02 6.48 0.51 2.29 0.01 -1.26 -4.60 113.70 117.11 2kkp s SER 71 Ca 0.41 2.86 0.24 0.00 1.31 0.00 0.00 55.95 60.77 2kkp s SER 71 Cb -0.21 -2.64 1.35 0.00 0.21 0.00 0.00 66.02 64.73 2kkp s SER 71 CO 0.24 -0.82 1.97 -0.65 0.41 0.00 0.00 173.24 174.39 2kkp h PRO 72 N 4.63 0.07 0.02 12.44 0.11 -1.98 -0.63 132.00 146.66 2kkp h PRO 72 Ca -0.47 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 2kkp h PRO 72 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2kkp h PRO 72 CO 0.76 0.05 -0.01 1.79 -0.21 0.00 0.00 178.00 180.38 2kkp h THR 73 N 0.08 1.05 0.00 -1.15 1.35 -2.00 -2.03 112.91 110.20 2kkp h THR 73 Ca 0.30 -0.22 -0.09 0.00 -0.55 0.00 0.00 66.41 65.85 2kkp h THR 73 Cb 1.09 1.20 -0.01 0.00 -1.73 0.00 0.00 68.15 68.70 2kkp h THR 73 CO -0.03 0.06 -0.41 -0.09 -0.25 0.00 0.00 175.52 174.81 2kkp h ARG 74 N -0.12 0.00 -0.85 4.72 2.43 -1.54 -2.01 114.38 117.01 2kkp h ARG 74 Ca -0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2kkp h ARG 74 Cb 0.11 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 2kkp h ARG 74 CO 0.00 0.41 0.52 0.28 -1.51 0.00 0.00 179.97 179.67 2kkp h VAL 75 N 0.00 1.23 -0.09 0.20 2.07 -0.94 -1.97 116.25 116.75 2kkp h VAL 75 Ca -0.00 -0.50 -0.14 0.00 0.82 0.00 0.00 66.70 66.88 2kkp h VAL 75 Cb 0.79 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2kkp h VAL 75 CO 0.05 0.24 -0.57 0.03 0.02 0.00 0.00 177.57 177.34 2kkp h ARG 76 N 1.17 0.28 -0.21 1.57 3.08 -0.65 -2.12 114.38 117.50 2kkp h ARG 76 Ca 0.31 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 2kkp h ARG 76 Cb -0.06 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 2kkp h ARG 76 CO -0.06 0.78 0.12 -0.92 -1.07 0.00 0.00 179.97 178.82 2kkp h TYR 77 N 0.22 0.28 0.00 3.04 3.20 -0.99 -0.75 116.97 121.97 2kkp h TYR 77 Ca -0.00 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 2kkp h TYR 77 Cb 1.07 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 39.25 2kkp h TYR 77 CO 0.02 0.24 -0.08 0.82 -1.64 0.00 0.00 178.16 177.53 2kkp h ILE 78 N 0.25 0.98 0.16 1.81 2.04 -1.26 -0.79 117.51 120.69 2kkp h ILE 78 Ca 0.08 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 2kkp h ILE 78 Cb 0.04 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 2kkp h ILE 78 CO -0.01 0.07 -0.08 -0.74 0.00 0.00 0.00 178.15 177.40 2kkp h HIS 79 N 0.00 -0.20 -0.19 1.37 2.76 -0.61 -2.60 115.15 115.68 2kkp h HIS 79 Ca -0.00 -0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.00 2kkp h HIS 79 Cb 0.14 0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 2kkp h HIS 79 CO 0.00 0.08 -0.55 -0.39 -1.30 0.00 0.00 177.93 175.77 2kkp h VAL 80 N -0.46 1.32 -0.54 5.26 -1.51 -0.73 -0.56 116.25 119.02 2kkp h VAL 80 Ca -0.02 -1.79 -0.08 0.00 -1.23 0.00 0.00 66.70 63.57 2kkp h VAL 80 Cb 0.36 1.76 -0.02 0.00 -2.13 0.00 0.00 31.29 31.26 2kkp h VAL 80 CO 0.04 0.56 0.02 1.62 -1.23 0.00 0.00 177.57 178.57 2kkp h VAL 81 N 0.45 1.25 -0.28 7.19 3.04 -1.23 -0.16 116.25 126.52 2kkp h VAL 81 Ca 0.01 -1.05 -0.16 0.00 -1.01 0.00 0.00 66.70 64.49 2kkp h VAL 81 Cb 1.10 0.82 -0.00 0.00 -2.01 0.00 0.00 31.29 31.20 2kkp h VAL 81 CO 0.11 0.38 -0.45 0.25 -1.01 0.00 0.00 177.57 176.84 2kkp h LEU 82 N 0.84 0.88 -0.39 3.16 5.85 -1.33 -1.93 115.31 122.40 2kkp h LEU 82 Ca 0.16 -0.52 0.03 0.00 0.84 0.00 0.00 57.88 58.39 2kkp h LEU 82 Cb 0.48 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 2kkp h LEU 82 CO 0.02 1.23 0.20 -0.74 -0.34 0.00 0.00 178.44 178.81 2kkp h HIS 83 N 0.56 0.37 0.00 1.25 2.76 -0.74 0.20 115.15 119.54 2kkp h HIS 83 Ca 0.02 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2kkp h HIS 83 Cb 1.05 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.91 2kkp h HIS 83 CO 0.08 0.20 0.00 1.05 -1.30 0.00 0.00 177.93 177.95 2kkp h GLU 84 N 0.40 0.00 0.07 5.26 4.11 -1.03 -2.44 114.58 120.96 2kkp h GLU 84 Ca 0.16 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.32 2kkp h GLU 84 Cb 0.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2kkp h GLU 84 CO -0.11 0.00 -1.35 0.00 0.07 0.00 0.00 179.01 177.63 2kkp h ALA 85 N 2.19 0.32 -0.00 1.06 0.00 -0.93 -3.26 119.26 118.64 2kkp h ALA 85 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 53.86 2kkp h ALA 85 Cb 0.90 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2kkp h ALA 85 CO 0.00 1.19 -0.14 -1.33 0.00 0.00 0.00 179.25 178.97 2kkp n MET 86 N -3.39 0.47 -0.19 0.00 2.81 0.02 -3.77 117.12 113.07 2kkp n MET 86 Ca -0.10 -0.15 -0.07 0.00 -1.81 0.00 0.00 57.70 55.56 2kkp n MET 86 Cb 1.01 -1.50 0.02 0.00 -0.71 0.00 0.00 33.22 32.05 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 0.38 0.68 -0.33 7.83 0.02 -1.48 -2.22 113.55 118.43 2kkp h SER 87 Ca 0.00 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.83 2kkp h SER 87 Cb 0.40 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 2kkp h SER 87 CO 0.00 0.57 0.10 1.56 -1.14 0.00 0.00 176.83 177.92 2kkp h GLN 88 N 0.73 0.59 -0.46 3.45 7.50 -1.75 -0.06 115.11 125.10 2kkp h GLN 88 Ca 0.19 -0.10 -0.05 0.00 0.50 0.00 0.00 58.65 59.19 2kkp h GLN 88 Cb 0.04 -0.10 -0.02 0.00 0.05 0.00 0.00 27.48 27.45 2kkp h GLN 88 CO -0.03 0.54 0.07 0.00 -1.50 0.00 0.00 178.83 177.90 2kkp h ALA 89 N 1.54 1.25 -0.14 3.87 0.00 -1.63 0.94 119.26 125.09 2kkp h ALA 89 Ca 0.13 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 2kkp h ALA 89 Cb 0.21 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2kkp h ALA 89 CO -0.00 0.51 -0.26 -0.09 0.00 0.00 0.00 179.25 179.41 2kkp h ARG 90 N 0.69 0.42 -1.01 0.00 2.43 -0.71 -2.69 114.38 113.51 2kkp h ARG 90 Ca 0.15 -0.26 0.01 0.00 -0.81 0.00 0.00 59.98 59.07 2kkp h ARG 90 Cb 0.33 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.86 2kkp h ARG 90 CO 0.01 0.86 0.67 0.93 -1.51 0.00 0.00 179.97 180.93 2kkp h GLU 91 N 0.02 1.32 0.00 0.20 4.39 -0.74 -1.31 114.58 118.45 2kkp h GLU 91 Ca 0.01 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2kkp h GLU 91 Cb 0.85 -0.30 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2kkp h GLU 91 CO 0.06 0.87 0.00 0.77 -1.16 0.00 0.00 179.01 179.55 2kkp h SER 92 N 1.36 0.00 -0.14 1.42 0.02 -0.81 -3.46 113.55 111.93 2kkp h SER 92 Ca 0.37 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.29 2kkp h SER 92 Cb -0.15 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 2kkp h SER 92 CO -0.08 0.00 -0.04 0.61 -1.14 0.00 0.00 176.83 176.18 2kkp n GLY 93 N -0.11 0.44 0.18 -3.77 0.00 -0.50 -4.91 105.19 96.52 2kkp n GLY 93 Ca 0.01 -0.94 0.11 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.21 1.14 0.00 0.99 -0.00 -1.04 -4.89 117.00 112.99 2kkp n LEU 94 Ca -0.02 -0.38 0.00 0.00 -0.00 0.00 0.00 56.01 55.61 2kkp n LEU 94 Cb 0.22 -0.09 0.00 0.00 -0.00 0.00 0.00 43.42 43.55 2kkp n LEU 94 CO 0.03 0.24 0.00 -0.11 -0.00 0.00 0.00 177.39 177.54 2kkp n LEU 95 N -0.92 0.00 0.01 1.47 7.94 -1.21 -4.61 117.00 119.67 2kkp n LEU 95 Ca 0.08 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.98 2kkp n LEU 95 Cb 0.37 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.32 2kkp n LEU 95 CO 0.33 0.00 0.00 -0.11 -1.11 0.00 0.00 177.39 176.50 2kkp n LEU 96 N 0.00 -0.23 0.00 -1.96 7.94 -1.26 -5.05 117.00 116.44 2kkp n LEU 96 Ca 0.00 0.06 -0.05 0.00 -1.11 0.00 0.00 56.01 54.90 2kkp n LEU 96 Cb 0.00 0.59 -0.02 0.00 0.53 0.00 0.00 43.42 44.52 2kkp n LEU 96 CO 0.00 -0.36 -0.03 0.00 -1.11 0.00 0.00 177.39 175.89 2kkp n GLN 97 N -2.46 0.54 -3.76 1.96 10.64 -1.26 -5.08 117.38 117.95 2kkp n GLN 97 Ca 0.00 -0.81 -0.36 0.00 -1.83 0.00 0.00 57.00 54.00 2kkp n GLN 97 Cb 0.00 0.53 -0.11 0.00 -0.86 0.00 0.00 30.24 29.80 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 -1.58 5.26 0.19 2.61 3.84 -1.26 -4.88 114.94 119.12 2kkp s ASN 98 Ca 0.07 -2.19 0.23 0.00 0.21 0.00 0.00 52.86 51.18 2kkp s ASN 98 Cb 0.00 -1.84 0.91 0.00 -0.55 0.00 0.00 41.25 39.77 2kkp s ASN 98 CO 0.05 -0.51 1.69 -2.65 -2.79 0.00 0.00 177.10 172.89 2kkp n PRO 99 N 4.38 0.17 0.08 0.43 -0.02 -1.26 -2.59 135.00 136.19 2kkp n PRO 99 Ca -0.00 0.34 -0.08 0.00 -2.02 0.00 0.00 63.50 61.74 2kkp n PRO 99 Cb 0.41 -1.78 0.03 0.00 -0.02 0.00 0.00 33.50 32.13 2kkp n PRO 99 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2kkp h THR 100 N 0.00 1.47 0.00 3.45 1.35 -1.94 -2.39 112.91 114.85 2kkp h THR 100 Ca 0.00 -2.45 0.00 0.00 -0.55 0.00 0.00 66.41 63.41 2kkp h THR 100 Cb 0.42 2.34 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 2kkp h THR 100 CO 0.00 0.72 -0.51 -0.33 -0.25 0.00 0.00 175.52 175.15 2kkp h GLU 101 N 0.13 0.00 0.00 4.72 4.39 -1.91 -3.20 114.58 118.71 2kkp h GLU 101 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2kkp h GLU 101 Cb 1.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.05 2kkp h GLU 101 CO 0.12 0.00 -0.19 0.00 -1.16 0.00 0.00 179.01 177.78 2kkp n ALA 102 N -2.05 2.59 -2.30 3.43 0.00 -1.13 -4.82 120.51 116.23 2kkp n ALA 102 Ca 0.02 -0.13 -0.31 0.00 0.00 0.00 0.00 53.44 53.03 2kkp n ALA 102 Cb 0.51 -1.36 -0.04 0.00 0.00 0.00 0.00 19.45 18.55 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 -3.07 3.45 -0.27 0.00 0.00 -0.91 -4.93 121.76 116.03 2kkp s ALA 103 Ca 0.11 -0.25 -0.20 0.00 0.00 0.00 0.00 51.96 51.62 2kkp s ALA 103 Cb 0.15 -2.57 -0.02 0.00 0.00 0.00 0.00 23.12 20.69 2kkp s ALA 103 CO 0.62 0.22 0.61 0.15 0.00 0.00 0.00 175.76 177.36 2kkp s LYS 104 N -3.39 4.02 0.65 0.00 3.01 -1.26 -4.99 119.74 117.79 2kkp s LYS 104 Ca 0.49 0.42 -0.17 0.00 -1.01 0.00 0.00 55.97 55.70 2kkp s LYS 104 Cb -0.11 -3.68 -0.00 0.00 -1.01 0.00 0.00 37.83 33.03 2kkp s LYS 104 CO 0.26 -0.46 1.18 -2.14 0.51 0.00 0.00 175.35 174.70 2kkp s PRO 105 N 2.51 2.66 0.78 -1.68 0.02 -1.26 -4.85 135.00 133.18 2kkp s PRO 105 Ca 0.25 1.69 -0.15 0.00 0.02 0.00 0.00 61.00 62.81 2kkp s PRO 105 Cb -0.15 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.47 2kkp s PRO 105 CO 0.10 -1.42 0.69 -2.30 -0.33 0.00 0.00 177.00 173.74 2kkp n PRO 106 N -2.16 0.21 -2.00 5.54 -0.02 -1.26 -4.80 135.00 130.50 2kkp n PRO 106 Ca 0.13 0.12 -0.37 0.00 -2.02 0.00 0.00 63.50 61.36 2kkp n PRO 106 Cb 0.50 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 2kkp n PRO 106 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2kkp s ARG 107 N -3.24 2.57 -0.28 -0.52 3.00 -1.26 -4.86 118.95 114.35 2kkp s ARG 107 Ca 0.66 0.59 -0.21 0.00 0.00 0.00 0.00 55.73 56.78 2kkp s ARG 107 Cb -0.31 -4.46 0.12 0.00 0.00 0.00 0.00 34.95 30.30 2kkp s ARG 107 CO 0.57 -2.84 0.93 -1.01 0.00 0.00 0.00 175.30 172.96 2kkp s HIS 108 N 9.44 -0.62 0.31 -0.53 3.76 -1.26 -5.15 115.29 121.23 2kkp s HIS 108 Ca 0.70 1.37 -0.29 0.00 -0.15 0.00 0.00 55.06 56.69 2kkp s HIS 108 Cb -0.12 0.39 -0.13 0.00 1.11 0.00 0.00 32.58 33.82 2kkp s HIS 108 CO 0.19 -0.31 1.24 -0.35 -0.85 0.00 0.00 174.74 174.67 2kkp n PRO 109 N 3.08 1.92 -3.60 8.40 -0.04 -1.26 -4.96 135.00 138.54 2kkp n PRO 109 Ca -0.16 0.67 -0.39 0.00 -0.04 0.00 0.00 63.50 63.59 2kkp n PRO 109 Cb 0.57 -2.22 -0.07 0.00 -0.04 0.00 0.00 33.50 31.74 2kkp n PRO 109 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kkp s LEU 110 N -0.47 5.67 -0.39 1.53 2.01 -1.26 -5.01 118.68 120.76 2kkp s LEU 110 Ca 0.58 -3.09 -0.04 0.00 0.01 0.00 0.00 54.13 51.59 2kkp s LEU 110 Cb -0.62 -1.95 0.09 0.00 0.01 0.00 0.00 46.19 43.71 2kkp s LEU 110 CO 0.60 -0.35 0.17 -0.70 1.01 0.00 0.00 176.35 177.07 2kkp s GLU 111 N -0.43 2.28 -0.42 1.70 2.12 -1.26 -4.94 118.70 117.75 2kkp s GLU 111 Ca 0.21 -1.58 0.08 0.00 0.36 0.00 0.00 54.97 54.04 2kkp s GLU 111 Cb -0.14 -3.55 0.28 0.00 0.26 0.00 0.00 34.13 30.98 2kkp s GLU 111 CO -0.07 -0.93 0.76 1.58 -0.54 0.00 0.00 175.26 176.06 2kkp n HIS 112 N 4.70 -1.42 0.18 5.30 -0.00 -1.26 -4.98 115.22 117.74 2kkp n HIS 112 Ca -0.07 -2.92 0.02 0.00 0.46 0.00 0.00 57.72 55.20 2kkp n HIS 112 Cb 0.42 0.45 0.32 0.00 -0.12 0.00 0.00 29.99 31.06 2kkp n HIS 112 CO 0.00 0.00 0.00 1.12 0.46 0.00 0.00 176.34 177.92 2kkp h HIS 113 N 3.61 0.00 -2.83 1.57 2.07 -1.95 -3.38 115.15 114.24 2kkp h HIS 113 Ca -0.01 0.00 -0.55 0.00 -2.85 0.00 0.00 60.37 56.97 2kkp h HIS 113 Cb 0.97 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.89 2kkp h HIS 113 CO 0.29 0.42 1.08 -1.01 -3.07 0.00 0.00 177.93 175.65 2kkp s HIS 114 N -4.07 2.33 0.00 6.12 3.76 -1.26 -4.81 115.29 117.36 2kkp s HIS 114 Ca -0.02 0.42 0.00 0.00 -0.15 0.00 0.00 55.06 55.31 2kkp s HIS 114 Cb 0.14 -4.43 0.00 0.00 1.11 0.00 0.00 32.58 29.40 2kkp s HIS 114 CO 0.73 -1.92 0.00 -2.39 -0.85 0.00 0.00 174.74 170.31 2kkp n HIS 115 N 9.42 0.00 -0.25 1.40 1.44 -1.26 -4.96 115.22 121.01 2kkp n HIS 115 Ca 0.11 0.00 0.26 0.00 -2.01 0.00 0.00 57.72 56.08 2kkp n HIS 115 Cb 0.49 0.00 0.62 0.00 0.12 0.00 0.00 29.99 31.23 2kkp n HIS 115 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2kkp h HIS 116 N 0.00 0.29 -0.02 -1.40 -0.00 -1.96 -3.55 115.15 108.51 2kkp h HIS 116 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 2kkp h HIS 116 Cb 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 27.41 27.32 2kkp h HIS 116 CO 0.00 0.05 0.00 1.58 -0.00 0.00 0.00 177.93 179.56