#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 -3.43 2.02 -5.35 -1.26 -5.08 119.36 106.27 2kkp n ILE 2 Ca 0.00 0.00 -0.38 0.00 -0.27 0.00 0.00 62.75 62.10 2kkp n ILE 2 Cb 0.00 -1.08 -0.09 0.00 -1.74 0.00 0.00 39.64 36.73 2kkp n ILE 2 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 2kkp s GLU 3 N -0.53 4.08 0.01 6.28 1.03 -1.26 -5.04 118.70 123.27 2kkp s GLU 3 Ca 0.00 0.06 -0.30 0.00 0.03 0.00 0.00 54.97 54.76 2kkp s GLU 3 Cb 0.00 -3.60 -0.07 0.00 -0.80 0.00 0.00 34.13 29.66 2kkp s GLU 3 CO 0.00 -0.14 1.69 -2.14 -1.33 0.00 0.00 175.26 173.34 2kkp s PRO 4 N 1.64 4.19 -1.01 -4.83 0.02 -1.26 -4.90 135.00 128.85 2kkp s PRO 4 Ca 0.15 2.30 -0.23 0.00 0.02 0.00 0.00 61.00 63.24 2kkp s PRO 4 Cb -0.15 -3.84 -0.02 0.00 0.02 0.00 0.00 34.50 30.51 2kkp s PRO 4 CO 0.08 -0.81 1.80 -1.54 -0.33 0.00 0.00 177.00 176.21 2kkp s SER 5 N 3.08 5.62 -0.23 2.53 1.04 -1.26 -4.93 113.70 119.55 2kkp s SER 5 Ca 0.75 -1.20 -0.19 0.00 0.48 0.00 0.00 55.95 55.80 2kkp s SER 5 Cb -0.37 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.15 2kkp s SER 5 CO 0.32 -2.35 0.54 -0.75 0.98 0.00 0.00 173.24 171.98 2kkp s LYS 6 N 6.15 4.13 -0.24 4.02 2.20 -1.26 -5.00 119.74 129.75 2kkp s LYS 6 Ca 0.62 0.41 -0.30 0.00 -0.36 0.00 0.00 55.97 56.35 2kkp s LYS 6 Cb -0.03 -3.61 -0.06 0.00 -1.51 0.00 0.00 37.83 32.62 2kkp s LYS 6 CO -0.00 -0.27 2.21 -0.89 -0.36 0.00 0.00 175.35 176.04 2kkp n ILE 7 N 4.87 0.32 -2.71 5.43 2.08 -1.26 -4.96 119.36 123.14 2kkp n ILE 7 Ca -0.04 -0.42 -0.31 0.00 0.56 0.00 0.00 62.75 62.55 2kkp n ILE 7 Cb 0.50 -2.38 -0.03 0.00 -0.75 0.00 0.00 39.64 36.98 2kkp n ILE 7 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 2kkp s THR 8 N 8.04 4.72 0.28 1.39 -4.23 -1.26 -4.71 115.64 119.87 2kkp s THR 8 Ca 1.02 0.76 -0.03 0.00 -1.18 0.00 0.00 61.69 62.26 2kkp s THR 8 Cb -0.44 -3.74 0.26 0.00 1.34 0.00 0.00 72.50 69.92 2kkp s THR 8 CO 0.38 -0.59 1.95 0.58 -0.54 0.00 0.00 174.62 176.40 2kkp h VAL 9 N 0.99 1.23 -0.00 2.29 2.07 -1.03 -0.87 116.25 120.93 2kkp h VAL 9 Ca -0.47 -0.44 -0.15 0.00 0.82 0.00 0.00 66.70 66.46 2kkp h VAL 9 Cb 1.19 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 2kkp h VAL 9 CO 0.63 0.23 -0.73 1.05 0.02 0.00 0.00 177.57 178.77 2kkp h GLU 10 N 1.19 0.03 -0.14 1.57 -0.00 -1.87 0.41 114.58 115.78 2kkp h GLU 10 Ca 0.32 -0.02 -0.02 0.00 -0.00 0.00 0.00 59.36 59.63 2kkp h GLU 10 Cb -0.12 0.01 -0.00 0.00 -0.00 0.00 0.00 28.75 28.63 2kkp h GLU 10 CO -0.07 0.74 0.00 0.37 -0.00 0.00 0.00 179.01 180.05 2kkp h GLN 11 N 0.02 0.24 -0.49 1.06 -0.00 -1.78 -1.12 115.11 113.04 2kkp h GLN 11 Ca -0.01 -0.08 -0.01 0.00 -0.00 0.00 0.00 58.65 58.55 2kkp h GLN 11 Cb 1.28 -0.02 -0.02 0.00 0.00 0.00 0.00 27.48 28.72 2kkp h GLN 11 CO 0.10 0.48 0.27 2.35 0.00 0.00 0.00 178.83 182.02 2kkp h TRP 12 N -0.02 0.67 -0.30 3.99 7.01 -1.02 -2.16 115.95 124.13 2kkp h TRP 12 Ca 0.04 -0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.03 2kkp h TRP 12 Cb 0.37 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.19 2kkp h TRP 12 CO 0.03 0.50 0.18 1.25 -2.79 0.00 0.00 178.44 177.61 2kkp h LEU 13 N 0.65 0.30 -0.57 0.65 7.12 -0.08 0.55 115.31 123.92 2kkp h LEU 13 Ca 0.17 -0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.18 2kkp h LEU 13 Cb 0.05 -0.06 -0.03 0.00 -0.53 0.00 0.00 40.66 40.09 2kkp h LEU 13 CO -0.03 0.22 0.35 -1.13 -0.13 0.00 0.00 178.44 177.72 2kkp h ASN 14 N 0.37 0.69 -0.28 1.25 -0.73 -1.10 0.22 115.58 115.99 2kkp h ASN 14 Ca 0.11 -0.06 -0.01 0.00 1.87 0.00 0.00 56.30 58.21 2kkp h ASN 14 Cb -0.01 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.39 2kkp h ASN 14 CO -0.05 0.54 0.12 -0.09 -0.37 0.00 0.00 177.43 177.59 2kkp h ARG 15 N 0.77 0.42 0.05 6.67 2.43 -0.93 -2.87 114.38 120.93 2kkp h ARG 15 Ca 0.21 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 2kkp h ARG 15 Cb -0.02 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 2kkp h ARG 15 CO -0.04 0.43 -0.11 2.35 -1.51 0.00 0.00 179.97 181.09 2kkp h TRP 16 N 0.31 -0.28 0.00 2.20 2.91 0.62 -0.22 115.95 121.49 2kkp h TRP 16 Ca 0.09 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.09 2kkp h TRP 16 Cb 0.16 0.12 -0.00 0.00 -0.51 0.00 0.00 29.16 28.93 2kkp h TRP 16 CO -0.01 -0.17 -0.13 1.37 -1.03 0.00 0.00 178.44 178.47 2kkp h LEU 17 N -0.22 0.00 0.07 0.65 8.10 -0.99 0.31 115.31 123.23 2kkp h LEU 17 Ca 0.02 0.00 -0.28 0.00 0.11 0.00 0.00 57.88 57.73 2kkp h LEU 17 Cb 0.24 0.00 0.02 0.00 -0.44 0.00 0.00 40.66 40.48 2kkp h LEU 17 CO -0.07 0.13 -1.19 0.74 -4.11 0.00 0.00 178.44 173.93 2kkp h THR 18 N 0.00 1.34 0.12 0.15 2.02 -1.16 -1.26 112.91 114.12 2kkp h THR 18 Ca -0.00 -2.55 -0.28 0.00 0.77 0.00 0.00 66.41 64.35 2kkp h THR 18 Cb 0.26 2.68 0.01 0.00 -1.74 0.00 0.00 68.15 69.37 2kkp h THR 18 CO 0.02 0.77 -1.22 -0.78 0.37 0.00 0.00 175.52 174.68 2kkp h ASP 19 N 0.24 0.52 -0.44 4.18 3.58 -0.36 -3.29 116.42 120.84 2kkp h ASP 19 Ca -0.16 -0.53 0.00 0.00 0.42 0.00 0.00 57.03 56.76 2kkp h ASP 19 Cb 1.87 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.75 2kkp h ASP 19 CO 0.22 1.39 0.00 -1.22 -2.88 0.00 0.00 179.24 176.75 2kkp n TYR 20 N -3.61 0.57 -0.00 0.28 4.02 0.10 -4.39 117.16 114.13 2kkp n TYR 20 Ca -0.09 -0.29 -0.09 0.00 -0.01 0.00 0.00 57.90 57.42 2kkp n TYR 20 Cb 1.00 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 40.29 2kkp n TYR 20 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2kkp h ALA 21 N 4.50 -0.10 -5.50 -0.72 0.00 -1.29 -3.48 119.26 112.67 2kkp h ALA 21 Ca 0.00 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2kkp h ALA 21 Cb 0.98 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2kkp h ALA 21 CO 0.00 -0.62 -0.61 1.17 0.00 0.00 0.00 179.25 179.19 2kkp n LYS 22 N -5.31 -2.29 -0.03 0.00 3.00 -1.26 -4.84 118.16 107.42 2kkp n LYS 22 Ca -0.03 2.00 -0.01 0.00 -0.00 0.00 0.00 58.31 60.27 2kkp n LYS 22 Cb 0.23 -5.08 0.01 0.00 0.00 0.00 0.00 35.03 30.18 2kkp n LYS 22 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 2kkp n PRO 23 N -0.31 1.04 -0.06 1.64 -0.02 -1.26 -4.01 135.00 132.01 2kkp n PRO 23 Ca 0.08 -0.08 -0.04 0.00 -2.02 0.00 0.00 63.50 61.44 2kkp n PRO 23 Cb 0.50 -1.04 -0.01 0.00 -0.02 0.00 0.00 33.50 32.92 2kkp n PRO 23 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2kkp h HIS 24 N 0.03 0.00 -3.20 6.00 2.76 -2.02 -3.47 115.15 115.25 2kkp h HIS 24 Ca 0.02 0.00 -0.64 0.00 -2.20 0.00 0.00 60.37 57.55 2kkp h HIS 24 Cb 1.04 0.00 -0.36 0.00 1.55 0.00 0.00 27.41 29.64 2kkp h HIS 24 CO 0.04 0.00 -0.84 -1.17 -1.30 0.00 0.00 177.93 174.67 2kkp s LEU 25 N -7.84 2.14 -0.22 0.26 2.96 -1.26 -4.91 118.68 109.82 2kkp s LEU 25 Ca -0.12 -0.70 -0.01 0.00 -0.22 0.00 0.00 54.13 53.08 2kkp s LEU 25 Cb 0.02 -1.36 0.00 0.00 0.50 0.00 0.00 46.19 45.35 2kkp s LEU 25 CO 0.17 -0.05 0.05 0.54 -1.32 0.00 0.00 176.35 175.74 2kkp n ARG 26 N 4.66 -2.27 -2.73 1.98 3.00 -1.26 -4.97 116.66 115.07 2kkp n ARG 26 Ca -0.18 1.99 -0.42 0.00 -0.01 0.00 0.00 57.85 59.22 2kkp n ARG 26 Cb 0.49 -4.00 -0.03 0.00 0.00 0.00 0.00 32.46 28.92 2kkp n ARG 26 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2kkp s GLN 27 N -1.23 4.34 0.00 5.56 1.11 -1.26 -4.93 119.66 123.26 2kkp s GLN 27 Ca 0.02 1.28 0.00 0.00 0.01 0.00 0.00 55.36 56.68 2kkp s GLN 27 Cb -0.01 -3.58 0.00 0.00 -1.01 0.00 0.00 33.01 28.41 2kkp s GLN 27 CO 0.53 -0.42 0.00 -1.13 0.01 0.00 0.00 175.29 174.28 2kkp n SER 28 N 5.47 0.00 -1.31 5.90 3.41 -1.26 -5.07 113.62 120.75 2kkp n SER 28 Ca 0.09 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.87 2kkp n SER 28 Cb 0.48 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.37 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 0.00 0.00 0.00 6.66 -1.04 -1.26 -4.77 114.28 113.87 2kkp n THR 29 Ca 0.00 0.33 0.00 0.00 -2.04 0.00 0.00 64.05 62.34 2kkp n THR 29 Cb 0.00 -0.78 0.00 0.00 -1.82 0.00 0.00 70.33 67.73 2kkp n THR 29 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 2kkp n TRP 30 N -4.10 0.00 -1.67 -1.42 7.02 -1.26 -4.92 117.44 111.09 2kkp n TRP 30 Ca -0.02 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.08 2kkp n TRP 30 Cb 0.61 0.00 0.06 0.00 -2.42 0.00 0.00 31.31 29.55 2kkp n TRP 30 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 2kkp n GLU 31 N 0.00 1.09 0.06 -0.99 4.71 -1.26 -4.87 120.64 119.38 2kkp n GLU 31 Ca 0.00 0.42 0.09 0.00 -0.01 0.00 0.00 57.16 57.66 2kkp n GLU 31 Cb 0.00 -2.33 0.38 0.00 -1.01 0.00 0.00 31.44 28.48 2kkp n GLU 31 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 2kkp n SER 32 N -1.10 0.29 0.19 1.62 7.64 -1.26 -2.37 113.62 118.62 2kkp n SER 32 Ca 0.14 0.57 0.07 0.00 1.01 0.00 0.00 58.87 60.66 2kkp n SER 32 Cb 0.47 -0.63 0.58 0.00 -1.01 0.00 0.00 64.21 63.61 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 0.14 -0.35 1.43 -0.00 -1.99 -0.92 116.97 115.28 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 0.28 -0.05 -0.01 0.00 -0.00 0.00 0.00 36.73 36.95 2kkp h TYR 33 CO 0.00 0.10 0.05 1.49 -0.00 0.00 0.00 178.16 179.80 2kkp h GLU 34 N 0.15 0.58 0.23 0.10 4.57 -1.83 -2.52 114.58 115.86 2kkp h GLU 34 Ca 0.04 -0.16 -0.01 0.00 -1.18 0.00 0.00 59.36 58.05 2kkp h GLU 34 Cb -0.00 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 2kkp h GLU 34 CO -0.01 0.66 -0.11 1.15 -1.18 0.00 0.00 179.01 179.52 2kkp h THR 35 N 0.42 0.84 -0.73 0.32 2.02 -1.38 -2.80 112.91 111.59 2kkp h THR 35 Ca 0.11 -0.61 -0.02 0.00 0.77 0.00 0.00 66.41 66.66 2kkp h THR 35 Cb 0.36 1.18 -0.04 0.00 -1.74 0.00 0.00 68.15 67.92 2kkp h THR 35 CO 0.01 0.13 0.38 -0.37 0.37 0.00 0.00 175.52 176.04 2kkp h VAL 36 N -0.63 1.22 0.58 3.16 -1.51 -1.38 -1.39 116.25 116.31 2kkp h VAL 36 Ca -0.03 -0.58 -0.03 0.00 -1.23 0.00 0.00 66.70 64.83 2kkp h VAL 36 Cb 0.45 0.25 0.01 0.00 -2.13 0.00 0.00 31.29 29.87 2kkp h VAL 36 CO 0.05 0.26 -0.28 0.25 -1.23 0.00 0.00 177.57 176.62 2kkp h LEU 37 N 1.03 -0.66 -0.92 4.19 5.85 -1.44 -2.58 115.31 120.78 2kkp h LEU 37 Ca 0.26 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.95 2kkp h LEU 37 Cb 0.05 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 2kkp h LEU 37 CO -0.04 -0.45 0.23 0.08 -0.34 0.00 0.00 178.44 177.92 2kkp h ARG 38 N -0.82 1.02 -0.81 1.25 0.11 -1.49 -0.49 114.38 113.15 2kkp h ARG 38 Ca -0.08 -0.19 0.02 0.00 0.10 0.00 0.00 59.98 59.82 2kkp h ARG 38 Cb 0.60 -0.16 -0.04 0.00 1.11 0.00 0.00 29.97 31.47 2kkp h ARG 38 CO 0.13 0.86 0.54 1.25 0.10 0.00 0.00 179.97 182.85 2kkp h LEU 39 N 0.99 0.91 0.00 0.08 5.85 -1.26 -2.98 115.31 118.90 2kkp h LEU 39 Ca 0.22 -0.02 -0.38 0.00 0.84 0.00 0.00 57.88 58.54 2kkp h LEU 39 Cb 0.25 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 2kkp h LEU 39 CO -0.01 0.65 -2.26 1.41 -0.34 0.00 0.00 178.44 177.89 2kkp n HIS 40 N -4.42 0.00 0.19 1.25 8.25 -0.98 -4.79 115.22 114.73 2kkp n HIS 40 Ca 0.09 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.66 2kkp n HIS 40 Cb 0.05 -0.89 -0.15 0.00 1.12 0.00 0.00 29.99 30.12 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 -4.25 0.00 -0.03 1.59 3.14 -0.22 -4.37 118.33 114.19 2kkp n VAL 41 Ca -0.47 -0.38 -0.13 0.00 -2.96 0.00 0.00 64.34 60.40 2kkp n VAL 41 Cb 0.82 0.24 -0.09 0.00 -1.06 0.00 0.00 33.84 33.74 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 1.42 0.00 1.55 2.04 -1.48 -0.67 117.51 120.37 2kkp h ILE 42 Ca 0.00 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.45 2kkp h ILE 42 Cb 0.84 2.23 0.00 0.00 -0.74 0.00 0.00 36.82 39.15 2kkp h ILE 42 CO 0.00 0.39 0.00 -2.65 0.00 0.00 0.00 178.15 175.89 2kkp n PRO 43 N -4.67 0.29 -0.02 2.37 -0.02 -1.25 -1.74 135.00 129.95 2kkp n PRO 43 Ca -0.08 0.04 -0.02 0.00 -2.02 0.00 0.00 63.50 61.42 2kkp n PRO 43 Cb 0.35 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.32 2kkp n PRO 43 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2kkp n THR 44 N -1.33 0.41 1.03 3.45 -2.24 -1.17 -4.67 114.28 109.75 2kkp n THR 44 Ca 0.11 0.39 0.12 0.00 -2.27 0.00 0.00 64.05 62.39 2kkp n THR 44 Cb 0.23 -1.71 0.33 0.00 -2.10 0.00 0.00 70.33 67.08 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 -3.03 2.23 0.07 3.22 4.77 -0.27 -4.16 117.00 119.84 2kkp n LEU 45 Ca -0.04 -0.89 0.09 0.00 -0.03 0.00 0.00 56.01 55.15 2kkp n LEU 45 Cb 0.14 -0.11 0.40 0.00 -2.33 0.00 0.00 43.42 41.52 2kkp n LEU 45 CO 0.06 0.44 0.79 0.61 -1.33 0.00 0.00 177.39 177.96 2kkp n GLY 46 N 1.26 -1.11 0.82 -0.72 0.00 -0.71 -1.65 105.19 103.08 2kkp n GLY 46 Ca 0.17 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.89 2.52 -4.45 1.61 2.88 -1.26 -0.45 113.62 112.58 2kkp n SER 47 Ca 0.02 -1.83 -0.37 0.00 -1.33 0.00 0.00 58.87 55.36 2kkp n SER 47 Cb 0.19 -0.08 -0.12 0.00 -0.75 0.00 0.00 64.21 63.45 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 -1.84 4.44 0.32 2.46 1.01 -0.66 -4.98 121.20 121.96 2kkp s ILE 48 Ca 0.34 -0.20 -0.28 0.00 0.00 0.00 0.00 60.65 60.51 2kkp s ILE 48 Cb 0.20 -3.12 -0.13 0.00 0.01 0.00 0.00 42.46 39.43 2kkp s ILE 48 CO 0.31 0.28 1.25 -2.65 0.00 0.00 0.00 174.94 174.12 2kkp n PRO 49 N 4.94 1.98 -0.05 2.79 -0.02 -1.26 -4.68 135.00 138.70 2kkp n PRO 49 Ca -0.15 0.69 0.09 0.00 -2.02 0.00 0.00 63.50 62.11 2kkp n PRO 49 Cb 0.51 -2.25 0.48 0.00 -0.02 0.00 0.00 33.50 32.22 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 2.63 0.40 -0.21 2.45 3.38 -1.95 0.17 115.31 122.18 2kkp h LEU 50 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2kkp h LEU 50 Cb 1.29 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2kkp h LEU 50 CO 0.64 0.26 -0.03 0.29 0.09 0.00 0.00 178.44 179.69 2kkp n LYS 51 N -4.47 0.95 -0.07 1.13 5.02 -1.26 -3.14 118.16 116.32 2kkp n LYS 51 Ca 0.07 -0.21 -0.08 0.00 -2.02 0.00 0.00 58.31 56.08 2kkp n LYS 51 Cb 0.26 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.68 2kkp n LYS 51 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2kkp n LYS 52 N -0.84 1.46 -1.66 1.97 4.81 0.34 -5.01 118.16 119.24 2kkp n LYS 52 Ca 0.20 0.03 -0.56 0.00 -0.87 0.00 0.00 58.31 57.10 2kkp n LYS 52 Cb 0.21 -1.32 -0.07 0.00 0.02 0.00 0.00 35.03 33.87 2kkp n LYS 52 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2kkp n LEU 53 N -2.62 2.37 -4.75 3.14 -0.00 0.26 -4.96 117.00 110.43 2kkp n LEU 53 Ca -0.23 0.96 -0.22 0.00 -0.00 0.00 0.00 56.01 56.52 2kkp n LEU 53 Cb 0.87 -1.16 -0.06 0.00 -0.00 0.00 0.00 43.42 43.07 2kkp n LEU 53 CO 0.23 -0.45 -0.21 -1.10 -0.00 0.00 0.00 177.39 175.86 2kkp s GLN 54 N 4.08 2.59 0.48 1.96 -0.21 -1.26 -4.85 119.66 122.45 2kkp s GLN 54 Ca 1.01 -1.30 0.17 0.00 0.02 0.00 0.00 55.36 55.26 2kkp s GLN 54 Cb -1.03 -2.35 1.17 0.00 1.00 0.00 0.00 33.01 31.80 2kkp s GLN 54 CO 0.63 0.29 2.03 -1.35 -2.12 0.00 0.00 175.29 174.77 2kkp h PRO 55 N 1.59 0.21 -0.83 2.91 0.11 -1.89 -1.71 132.00 132.39 2kkp h PRO 55 Ca -0.46 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2kkp h PRO 55 Cb 1.25 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 2kkp h PRO 55 CO 0.61 0.14 0.48 0.00 -0.21 0.00 0.00 178.00 179.01 2kkp h ALA 56 N 1.78 1.06 -0.81 -0.75 0.00 -1.90 0.36 119.26 119.00 2kkp h ALA 56 Ca 0.20 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2kkp h ALA 56 Cb 0.49 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2kkp h ALA 56 CO -0.03 0.54 0.34 -0.44 0.00 0.00 0.00 179.25 179.66 2kkp h ASP 57 N 1.14 1.10 -0.33 0.00 3.32 -1.72 0.22 116.42 120.15 2kkp h ASP 57 Ca 0.29 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 2kkp h ASP 57 Cb -0.01 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 2kkp h ASP 57 CO -0.05 0.96 -0.12 0.40 -1.72 0.00 0.00 179.24 178.71 2kkp h ILE 58 N 1.17 1.28 -0.63 0.35 2.04 -1.27 -1.17 117.51 119.28 2kkp h ILE 58 Ca 0.27 -1.20 -0.02 0.00 1.00 0.00 0.00 64.86 64.91 2kkp h ILE 58 Cb 0.19 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 2kkp h ILE 58 CO -0.03 0.39 0.31 -0.61 0.00 0.00 0.00 178.15 178.22 2kkp h GLN 59 N 0.44 0.91 -0.79 2.37 4.15 -0.68 -1.16 115.11 120.34 2kkp h GLN 59 Ca 0.08 -0.13 0.05 0.00 0.77 0.00 0.00 58.65 59.41 2kkp h GLN 59 Cb 0.63 -0.17 -0.05 0.00 0.21 0.00 0.00 27.48 28.11 2kkp h GLN 59 CO 0.04 0.72 0.49 -0.09 -1.93 0.00 0.00 178.83 178.07 2kkp h ARG 60 N 0.87 0.90 0.28 1.69 9.65 -0.84 0.67 114.38 127.61 2kkp h ARG 60 Ca 0.22 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.04 2kkp h ARG 60 Cb 0.11 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.47 2kkp h ARG 60 CO -0.03 0.60 -0.27 1.25 2.80 0.00 0.00 179.97 184.32 2kkp h LEU 61 N 0.93 -0.71 -0.38 3.80 7.12 -0.55 0.77 115.31 126.29 2kkp h LEU 61 Ca 0.33 0.06 0.02 0.00 0.13 0.00 0.00 57.88 58.43 2kkp h LEU 61 Cb 0.10 0.24 -0.03 0.00 -0.53 0.00 0.00 40.66 40.44 2kkp h LEU 61 CO -0.15 -0.39 0.22 1.88 -0.13 0.00 0.00 178.44 179.87 2kkp h TYR 62 N -0.58 0.40 0.07 1.25 0.05 -0.86 -0.88 116.97 116.42 2kkp h TYR 62 Ca -0.01 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 2kkp h TYR 62 Cb 0.53 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.14 2kkp h TYR 62 CO -0.17 0.23 -0.03 0.00 -1.05 0.00 0.00 178.16 177.14 2kkp h ALA 63 N 1.17 -0.09 -0.57 3.88 0.00 -0.70 0.22 119.26 123.17 2kkp h ALA 63 Ca 0.15 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2kkp h ALA 63 Cb 0.02 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2kkp h ALA 63 CO -0.08 -0.52 0.02 1.03 0.00 0.00 0.00 179.25 179.71 2kkp h SER 64 N -0.15 0.94 0.39 0.00 0.87 -0.71 -0.88 113.55 114.01 2kkp h SER 64 Ca -0.01 -0.24 -0.27 0.00 -1.23 0.00 0.00 61.79 60.04 2kkp h SER 64 Cb 0.13 -0.25 0.01 0.00 -0.44 0.00 0.00 62.40 61.85 2kkp h SER 64 CO 0.02 0.98 -1.16 0.11 -0.53 0.00 0.00 176.83 176.24 2kkp h LYS 65 N 0.90 0.42 -0.73 2.24 6.56 -1.04 -2.52 116.57 122.39 2kkp h LYS 65 Ca 0.17 -0.58 0.01 0.00 -1.06 0.00 0.00 60.65 59.19 2kkp h LYS 65 Cb 0.49 0.19 -0.04 0.00 -0.57 0.00 0.00 32.23 32.31 2kkp h LYS 65 CO 0.02 1.23 0.47 1.25 -2.06 0.00 0.00 179.45 180.37 2kkp h LEU 66 N 0.18 0.84 -1.91 2.94 5.85 -0.46 -1.48 115.31 121.27 2kkp h LEU 66 Ca -0.14 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.56 2kkp h LEU 66 Cb 1.84 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.66 2kkp h LEU 66 CO 0.20 0.62 0.07 -0.08 -0.34 0.00 0.00 178.44 178.92 2kkp h GLU 67 N 0.99 0.11 0.00 1.25 4.81 -1.10 -0.95 114.58 119.69 2kkp h GLU 67 Ca 0.27 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 2kkp h GLU 67 Cb -0.10 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.25 2kkp h GLU 67 CO -0.06 0.08 0.00 0.45 -0.73 0.00 0.00 179.01 178.75 2kkp n SER 68 N -4.52 0.00 0.00 1.04 2.88 -0.57 -4.85 113.62 107.61 2kkp n SER 68 Ca -0.01 0.50 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 2kkp n SER 68 Cb 0.11 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 63.06 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 1.02 0.82 3.92 0.46 0.00 -0.40 -5.09 105.19 105.93 2kkp n GLY 69 Ca 0.06 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 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 4.31 -0.01 0.99 1.43 -0.99 -5.01 118.68 119.41 2kkp s LEU 70 Ca 0.00 0.32 -0.19 0.00 -1.03 0.00 0.00 54.13 53.23 2kkp s LEU 70 Cb 0.00 -3.04 -0.06 0.00 0.03 0.00 0.00 46.19 43.12 2kkp s LEU 70 CO 0.00 0.08 0.53 -0.55 0.23 0.00 0.00 176.35 176.64 2kkp s SER 71 N -2.83 6.91 0.46 2.29 0.15 -1.26 -4.90 113.70 114.52 2kkp s SER 71 Ca 0.36 1.09 0.22 0.00 0.70 0.00 0.00 55.95 58.32 2kkp s SER 71 Cb -0.12 -2.33 1.22 0.00 -1.71 0.00 0.00 66.02 63.08 2kkp s SER 71 CO 0.28 0.17 1.86 -0.65 1.20 0.00 0.00 173.24 176.09 2kkp h PRO 72 N 5.40 0.26 -0.51 5.44 0.11 -1.99 -0.26 132.00 140.45 2kkp h PRO 72 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2kkp h PRO 72 Cb 1.20 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 2kkp h PRO 72 CO 0.68 0.17 0.32 1.79 -0.21 0.00 0.00 178.00 180.75 2kkp h THR 73 N 0.27 1.14 -0.28 -1.15 1.35 -2.00 -1.47 112.91 110.77 2kkp h THR 73 Ca 0.47 -0.29 -0.19 0.00 -0.55 0.00 0.00 66.41 65.85 2kkp h THR 73 Cb 1.39 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 2kkp h THR 73 CO -0.13 0.14 -0.56 0.03 -0.25 0.00 0.00 175.52 174.75 2kkp h ARG 74 N 0.69 0.85 -0.99 4.72 -0.00 -1.47 -2.62 114.38 115.55 2kkp h ARG 74 Ca 0.19 -0.54 0.09 0.00 -0.50 0.00 0.00 59.98 59.21 2kkp h ARG 74 Cb -0.05 0.07 -0.07 0.00 0.00 0.00 0.00 29.97 29.92 2kkp h ARG 74 CO -0.04 1.18 0.64 0.28 0.00 0.00 0.00 179.97 182.03 2kkp h VAL 75 N 0.65 1.01 -0.36 2.04 2.07 -1.14 0.20 116.25 120.73 2kkp h VAL 75 Ca 0.01 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 2kkp h VAL 75 Cb 1.16 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 2kkp h VAL 75 CO 0.12 0.20 0.14 0.03 0.02 0.00 0.00 177.57 178.08 2kkp h ARG 76 N 1.08 0.54 -0.27 1.57 3.08 -1.11 -2.46 114.38 116.81 2kkp h ARG 76 Ca 0.46 -0.10 -0.11 0.00 0.07 0.00 0.00 59.98 60.30 2kkp h ARG 76 Cb 0.32 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2kkp h ARG 76 CO -0.21 0.53 -0.29 -0.92 -1.07 0.00 0.00 179.97 178.01 2kkp h TYR 77 N 0.43 0.61 -0.42 3.04 3.20 -0.83 -1.69 116.97 121.31 2kkp h TYR 77 Ca 0.12 -0.14 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 2kkp h TYR 77 Cb 0.19 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 2kkp h TYR 77 CO -0.00 0.77 0.18 0.82 -1.64 0.00 0.00 178.16 178.29 2kkp h ILE 78 N 0.47 1.16 -0.53 1.81 2.04 -0.52 0.30 117.51 122.23 2kkp h ILE 78 Ca 0.06 -0.47 -0.11 0.00 1.00 0.00 0.00 64.86 65.34 2kkp h ILE 78 Cb 0.74 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 2kkp h ILE 78 CO 0.06 0.18 -0.10 -0.74 0.00 0.00 0.00 178.15 177.55 2kkp h HIS 79 N 0.59 1.12 0.15 1.37 2.76 -0.92 -1.51 115.15 118.71 2kkp h HIS 79 Ca 0.15 -0.23 -0.01 0.00 -2.20 0.00 0.00 60.37 58.08 2kkp h HIS 79 Cb 0.10 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 28.78 2kkp h HIS 79 CO 0.01 1.05 -0.07 0.28 -1.30 0.00 0.00 177.93 177.89 2kkp h VAL 80 N 0.87 0.96 -0.46 5.26 2.07 -0.31 -0.38 116.25 124.27 2kkp h VAL 80 Ca 0.14 -0.45 -0.08 0.00 0.82 0.00 0.00 66.70 67.12 2kkp h VAL 80 Cb 0.67 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 2kkp h VAL 80 CO 0.05 0.11 -0.05 1.62 0.02 0.00 0.00 177.57 179.31 2kkp h VAL 81 N -0.41 1.25 -0.52 2.57 3.04 -0.49 0.56 116.25 122.25 2kkp h VAL 81 Ca -0.02 -1.08 -0.06 0.00 -1.01 0.00 0.00 66.70 64.52 2kkp h VAL 81 Cb 0.33 0.96 -0.02 0.00 -2.01 0.00 0.00 31.29 30.54 2kkp h VAL 81 CO 0.03 0.38 0.08 0.25 -1.01 0.00 0.00 177.57 177.30 2kkp h LEU 82 N 0.72 0.84 -0.51 3.16 5.85 -1.24 0.56 115.31 124.68 2kkp h LEU 82 Ca 0.13 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 2kkp h LEU 82 Cb 0.52 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 2kkp h LEU 82 CO 0.03 0.89 0.12 -0.74 -0.34 0.00 0.00 178.44 178.39 2kkp h HIS 83 N 0.75 0.87 0.21 1.25 2.76 -0.53 -0.39 115.15 120.07 2kkp h HIS 83 Ca 0.16 -0.11 -0.00 0.00 -2.20 0.00 0.00 60.37 58.22 2kkp h HIS 83 Cb 0.41 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 2kkp h HIS 83 CO 0.03 0.77 -0.14 1.49 -1.30 0.00 0.00 177.93 178.78 2kkp h GLU 84 N 0.71 -0.33 -0.13 5.26 4.81 0.45 -0.77 114.58 124.58 2kkp h GLU 84 Ca 0.16 0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.29 2kkp h GLU 84 Cb 0.34 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.80 2kkp h GLU 84 CO 0.00 -0.22 -0.40 0.00 -0.73 0.00 0.00 179.01 177.66 2kkp h ALA 85 N 0.43 0.23 0.00 2.92 0.00 -0.87 -3.25 119.26 118.71 2kkp h ALA 85 Ca -0.02 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2kkp h ALA 85 Cb 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2kkp h ALA 85 CO 0.01 0.33 -0.03 -0.12 0.00 0.00 0.00 179.25 179.44 2kkp n MET 86 N -4.30 0.18 -0.03 0.00 0.00 -0.16 -3.15 117.12 109.65 2kkp n MET 86 Ca -0.07 0.14 -0.01 0.00 -0.00 0.00 0.00 57.70 57.76 2kkp n MET 86 Cb 0.54 -1.70 0.28 0.00 0.00 0.00 0.00 33.22 32.33 2kkp n MET 86 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2kkp h SER 87 N 0.00 0.56 0.15 6.12 4.64 -1.17 -2.40 113.55 121.45 2kkp h SER 87 Ca 0.00 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.19 2kkp h SER 87 Cb 0.66 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2kkp h SER 87 CO 0.00 0.60 -0.15 1.56 -0.87 0.00 0.00 176.83 177.97 2kkp h GLN 88 N 0.58 0.00 -0.54 4.77 1.08 -1.70 -0.16 115.11 119.14 2kkp h GLN 88 Ca 0.13 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.29 2kkp h GLN 88 Cb 0.30 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.70 2kkp h GLN 88 CO 0.00 0.15 0.17 0.00 -0.95 0.00 0.00 178.83 178.21 2kkp h ALA 89 N 1.85 0.71 -0.19 3.87 0.00 -1.61 0.19 119.26 124.07 2kkp h ALA 89 Ca -0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2kkp h ALA 89 Cb 0.26 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2kkp h ALA 89 CO 0.02 0.37 -0.13 -0.09 0.00 0.00 0.00 179.25 179.42 2kkp h ARG 90 N 0.75 0.42 0.00 0.00 2.43 -1.35 -1.90 114.38 114.73 2kkp h ARG 90 Ca 0.17 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2kkp h ARG 90 Cb 0.27 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 2kkp h ARG 90 CO -0.01 0.75 0.00 0.39 -1.51 0.00 0.00 179.97 179.59 2kkp n GLU 91 N -4.53 0.12 0.04 0.20 1.02 -0.16 -1.67 120.64 115.66 2kkp n GLU 91 Ca -0.05 0.27 -0.15 0.00 -0.02 0.00 0.00 57.16 57.21 2kkp n GLU 91 Cb 0.35 -1.69 -0.14 0.00 -0.02 0.00 0.00 31.44 29.94 2kkp n GLU 91 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2kkp h SER 92 N 0.00 0.28 0.00 1.62 0.87 -0.54 -3.49 113.55 112.29 2kkp h SER 92 Ca 0.00 -0.41 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 2kkp h SER 92 Cb 0.42 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 2kkp h SER 92 CO 0.00 1.35 0.00 0.61 -0.53 0.00 0.00 176.83 178.26 2kkp n GLY 93 N 1.64 1.67 0.00 5.77 0.00 -0.67 -4.99 105.19 108.61 2kkp n GLY 93 Ca -0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 0.23 -4.28 0.99 -0.00 -0.77 -4.93 117.00 108.24 2kkp n LEU 94 Ca 0.00 -0.17 -0.32 0.00 -0.00 0.00 0.00 56.01 55.52 2kkp n LEU 94 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.26 2kkp n LEU 94 CO 0.00 0.06 -0.53 -0.22 -0.00 0.00 0.00 177.39 176.69 2kkp s LEU 95 N -3.59 2.24 0.11 1.47 1.98 -1.08 -4.94 118.68 114.88 2kkp s LEU 95 Ca -0.02 -0.47 -0.23 0.00 -2.89 0.00 0.00 54.13 50.52 2kkp s LEU 95 Cb 0.10 -1.44 -0.08 0.00 0.66 0.00 0.00 46.19 45.42 2kkp s LEU 95 CO 0.62 0.21 1.70 0.25 -1.89 0.00 0.00 176.35 177.23 2kkp h LEU 96 N 6.37 -0.25 -8.48 -0.68 5.85 -1.91 -3.39 115.31 112.82 2kkp h LEU 96 Ca -0.27 0.04 -0.23 0.00 0.84 0.00 0.00 57.88 58.26 2kkp h LEU 96 Cb 1.21 0.11 -0.09 0.00 0.37 0.00 0.00 40.66 42.26 2kkp h LEU 96 CO 0.49 -0.12 -0.22 0.00 -0.34 0.00 0.00 178.44 178.24 2kkp s GLN 97 N -6.17 1.77 -0.38 1.25 -2.07 -1.26 -5.00 119.66 107.80 2kkp s GLN 97 Ca -0.14 -1.65 -0.13 0.00 -1.82 0.00 0.00 55.36 51.62 2kkp s GLN 97 Cb 0.08 0.43 0.02 0.00 -1.09 0.00 0.00 33.01 32.45 2kkp s GLN 97 CO 0.67 -0.72 0.25 -0.80 -1.32 0.00 0.00 175.29 173.36 2kkp s ASN 98 N -3.19 5.93 0.05 12.60 0.02 -1.26 -4.85 114.94 124.23 2kkp s ASN 98 Ca 0.30 -0.87 0.07 0.00 -1.02 0.00 0.00 52.86 51.34 2kkp s ASN 98 Cb 0.00 -2.10 0.34 0.00 0.02 0.00 0.00 41.25 39.52 2kkp s ASN 98 CO 0.17 -0.39 1.23 -2.65 0.02 0.00 0.00 177.10 175.48 2kkp n PRO 99 N 5.08 0.03 0.22 -0.60 -0.02 -1.26 -1.85 135.00 136.60 2kkp n PRO 99 Ca -0.12 0.45 0.07 0.00 -2.02 0.00 0.00 63.50 61.88 2kkp n PRO 99 Cb 0.47 -1.57 0.51 0.00 -0.02 0.00 0.00 33.50 32.89 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 0.93 0.00 3.45 1.35 -1.92 -2.33 112.91 114.39 2kkp h THR 100 Ca 0.00 -0.96 -0.08 0.00 -0.55 0.00 0.00 66.41 64.82 2kkp h THR 100 Cb 0.08 1.56 -0.01 0.00 -1.73 0.00 0.00 68.15 68.05 2kkp h THR 100 CO 0.00 0.25 -0.38 -0.33 -0.25 0.00 0.00 175.52 174.81 2kkp h GLU 101 N 0.00 0.00 -0.35 4.72 4.39 -1.80 -2.78 114.58 118.76 2kkp h GLU 101 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kkp h GLU 101 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2kkp h GLU 101 CO 0.03 0.38 0.00 0.00 -1.16 0.00 0.00 179.01 178.26 2kkp n ALA 102 N -2.24 2.39 -3.16 3.43 0.00 -1.04 -4.82 120.51 115.07 2kkp n ALA 102 Ca 0.01 -0.98 -0.45 0.00 0.00 0.00 0.00 53.44 52.01 2kkp n ALA 102 Cb 0.59 -0.74 -0.06 0.00 0.00 0.00 0.00 19.45 19.24 2kkp n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kkp s ALA 103 N -1.32 3.62 -0.18 0.00 0.00 -0.90 -4.84 121.76 118.13 2kkp s ALA 103 Ca 0.34 -2.40 -0.07 0.00 0.00 0.00 0.00 51.96 49.83 2kkp s ALA 103 Cb 0.20 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 2kkp s ALA 103 CO 0.27 -1.92 0.05 0.15 0.00 0.00 0.00 175.76 174.31 2kkp s LYS 104 N 1.61 3.94 0.45 0.00 3.01 -1.26 -4.95 119.74 122.55 2kkp s LYS 104 Ca 0.03 -0.36 -0.17 0.00 -1.01 0.00 0.00 55.97 54.46 2kkp s LYS 104 Cb -0.28 -3.18 -0.09 0.00 -1.01 0.00 0.00 37.83 33.28 2kkp s LYS 104 CO 0.04 0.27 0.92 -2.14 0.51 0.00 0.00 175.35 174.95 2kkp s PRO 105 N 0.36 4.01 -1.15 -1.68 0.02 -1.26 -4.92 135.00 130.38 2kkp s PRO 105 Ca 0.02 0.91 -0.22 0.00 0.02 0.00 0.00 61.00 61.72 2kkp s PRO 105 Cb -0.13 -2.21 -0.05 0.00 0.02 0.00 0.00 34.50 32.12 2kkp s PRO 105 CO 0.00 -0.12 1.89 -1.25 -0.33 0.00 0.00 177.00 177.19 2kkp s PRO 106 N -3.67 2.74 0.21 5.54 0.04 -1.26 -4.72 135.00 133.88 2kkp s PRO 106 Ca 0.58 -1.13 -0.02 0.00 0.04 0.00 0.00 61.00 60.47 2kkp s PRO 106 Cb -0.10 -5.26 0.18 0.00 0.04 0.00 0.00 34.50 29.36 2kkp s PRO 106 CO 0.24 -3.59 1.56 -0.09 0.04 0.00 0.00 177.00 175.17 2kkp h ARG 107 N 9.71 0.58 -2.53 4.56 2.43 -2.05 -3.37 114.38 123.70 2kkp h ARG 107 Ca 0.23 -0.31 -0.59 0.00 -0.81 0.00 0.00 59.98 58.49 2kkp h ARG 107 Cb 0.94 0.01 -0.39 0.00 -0.42 0.00 0.00 29.97 30.12 2kkp h ARG 107 CO 1.26 0.91 -0.89 -3.38 -1.51 0.00 0.00 179.97 176.36 2kkp s HIS 108 N -4.20 1.44 -0.77 2.20 -3.43 -1.26 -4.95 115.29 104.32 2kkp s HIS 108 Ca -0.08 -2.38 0.26 0.00 -0.80 0.00 0.00 55.06 52.07 2kkp s HIS 108 Cb 0.12 -1.22 0.90 0.00 -1.43 0.00 0.00 32.58 30.94 2kkp s HIS 108 CO 0.83 -0.79 1.79 -0.35 -2.00 0.00 0.00 174.74 174.23 2kkp n PRO 109 N 2.93 0.20 -1.36 -0.38 -0.04 -1.26 -3.75 135.00 131.35 2kkp n PRO 109 Ca 0.25 0.19 -0.23 0.00 -0.04 0.00 0.00 63.50 63.67 2kkp n PRO 109 Cb 0.44 -1.75 -0.09 0.00 -0.04 0.00 0.00 33.50 32.06 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 -2.11 6.17 -4.83 1.53 7.99 -1.26 -4.97 117.00 119.52 2kkp n LEU 110 Ca 0.06 -3.83 -0.32 0.00 -0.01 0.00 0.00 56.01 51.90 2kkp n LEU 110 Cb 0.39 -1.29 -0.02 0.00 -0.11 0.00 0.00 43.42 42.39 2kkp n LEU 110 CO 0.29 1.73 0.69 -0.70 -1.51 0.00 0.00 177.39 177.89 2kkp s GLU 111 N -0.87 3.78 0.00 3.23 2.56 -1.25 -4.99 118.70 121.17 2kkp s GLU 111 Ca 0.61 1.02 0.00 0.00 0.00 0.00 0.00 54.97 56.61 2kkp s GLU 111 Cb 0.36 -2.11 0.00 0.00 2.00 0.00 0.00 34.13 34.38 2kkp s GLU 111 CO -0.15 -0.41 0.00 -2.39 -0.56 0.00 0.00 175.26 171.74 2kkp n HIS 112 N -1.70 0.00 -3.68 5.30 1.44 -1.26 -5.06 115.22 110.27 2kkp n HIS 112 Ca 0.07 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.68 2kkp n HIS 112 Cb 0.54 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.55 2kkp n HIS 112 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2kkp s HIS 113 N -1.88 -0.74 -0.22 -1.40 3.76 -1.26 -5.14 115.29 108.42 2kkp s HIS 113 Ca 0.00 1.55 0.00 0.00 -0.15 0.00 0.00 55.06 56.46 2kkp s HIS 113 Cb 0.00 0.37 0.06 0.00 1.11 0.00 0.00 32.58 34.11 2kkp s HIS 113 CO 0.00 -0.39 -0.05 -3.38 -0.85 0.00 0.00 174.74 170.07 2kkp s HIS 114 N 1.35 2.16 -0.51 1.40 -3.43 -1.26 -4.96 115.29 110.04 2kkp s HIS 114 Ca -0.09 -1.55 0.17 0.00 -0.80 0.00 0.00 55.06 52.79 2kkp s HIS 114 Cb -0.07 -1.49 -0.21 0.00 -1.43 0.00 0.00 32.58 29.38 2kkp s HIS 114 CO -0.13 -0.73 0.59 1.58 -2.00 0.00 0.00 174.74 174.04 2kkp n HIS 115 N 4.74 0.00 0.17 0.38 -0.00 -1.26 -4.57 115.22 114.68 2kkp n HIS 115 Ca -0.12 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 57.99 2kkp n HIS 115 Cb 0.45 -0.14 -0.03 0.00 -0.12 0.00 0.00 29.99 30.15 2kkp n HIS 115 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2kkp h HIS 116 N 0.00 -0.42 0.00 1.57 3.86 -2.08 -3.58 115.15 114.50 2kkp h HIS 116 Ca 0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2kkp h HIS 116 Cb 0.53 0.14 0.00 0.00 1.06 0.00 0.00 27.41 29.14 2kkp h HIS 116 CO 0.00 -0.26 0.00 0.72 0.86 0.00 0.00 177.93 179.25