#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkp s ILE 2 N 0.00 3.99 -0.37 1.12 1.01 -1.26 -5.05 121.20 120.64 2kkp s ILE 2 Ca 0.00 -1.25 -0.20 0.00 0.00 0.00 0.00 60.65 59.20 2kkp s ILE 2 Cb 0.00 -3.35 0.01 0.00 0.01 0.00 0.00 42.46 39.12 2kkp s ILE 2 CO 0.00 -0.33 0.62 -0.70 0.00 0.00 0.00 174.94 174.53 2kkp s GLU 3 N 1.41 3.59 -0.95 2.79 2.56 -1.26 -4.98 118.70 121.87 2kkp s GLU 3 Ca 0.01 -0.06 -0.15 0.00 0.00 0.00 0.00 54.97 54.77 2kkp s GLU 3 Cb -0.21 -3.84 -0.09 0.00 2.00 0.00 0.00 34.13 31.99 2kkp s GLU 3 CO 0.03 -0.78 2.08 -2.30 -0.56 0.00 0.00 175.26 173.73 2kkp n PRO 4 N 6.05 1.99 -3.63 4.30 -0.02 -1.26 -4.72 135.00 137.71 2kkp n PRO 4 Ca -0.02 -1.83 -0.07 0.00 -2.02 0.00 0.00 63.50 59.56 2kkp n PRO 4 Cb 0.48 -2.80 -0.07 0.00 -0.02 0.00 0.00 33.50 31.10 2kkp n PRO 4 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2kkp s SER 5 N 4.09 -0.31 0.00 2.55 0.15 -1.26 -5.04 113.70 113.87 2kkp s SER 5 Ca 0.51 0.56 0.18 0.00 0.70 0.00 0.00 55.95 57.89 2kkp s SER 5 Cb 0.13 0.55 0.02 0.00 -1.71 0.00 0.00 66.02 65.01 2kkp s SER 5 CO 0.03 -0.14 0.93 0.29 1.20 0.00 0.00 173.24 175.56 2kkp n LYS 6 N 1.74 1.58 -2.78 5.44 4.76 -1.26 -5.07 118.16 122.57 2kkp n LYS 6 Ca -0.11 -0.96 -0.01 0.00 -2.87 0.00 0.00 58.31 54.36 2kkp n LYS 6 Cb 0.57 -1.33 -0.01 0.00 -1.84 0.00 0.00 35.03 32.42 2kkp n LYS 6 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 2kkp n ILE 7 N 0.07 -2.99 -1.47 -0.18 -5.35 -1.26 -5.00 119.36 103.18 2kkp n ILE 7 Ca 0.08 0.52 -0.19 0.00 -0.27 0.00 0.00 62.75 62.89 2kkp n ILE 7 Cb 0.38 -3.02 0.14 0.00 -1.74 0.00 0.00 39.64 35.40 2kkp n ILE 7 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2kkp n THR 8 N 2.30 0.00 -0.18 7.28 -2.24 -1.26 -4.60 114.28 115.58 2kkp n THR 8 Ca -0.06 -0.58 -0.01 0.00 -2.27 0.00 0.00 64.05 61.13 2kkp n THR 8 Cb 0.09 -1.59 0.07 0.00 -2.10 0.00 0.00 70.33 66.80 2kkp n THR 8 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2kkp h VAL 9 N -1.64 0.52 -0.73 2.28 2.07 -1.40 0.95 116.25 118.30 2kkp h VAL 9 Ca -0.28 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.24 2kkp h VAL 9 Cb 0.78 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 2kkp h VAL 9 CO 0.19 0.01 0.47 1.05 0.02 0.00 0.00 177.57 179.31 2kkp h GLU 10 N 0.08 0.90 0.05 1.57 4.11 -1.82 -1.23 114.58 118.23 2kkp h GLU 10 Ca 0.28 -0.05 -0.25 0.00 0.07 0.00 0.00 59.36 59.41 2kkp h GLU 10 Cb 0.44 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.50 2kkp h GLU 10 CO -0.50 0.59 -1.06 1.96 0.07 0.00 0.00 179.01 180.07 2kkp h GLN 11 N 0.92 0.43 0.10 1.06 1.08 -1.59 -2.74 115.11 114.37 2kkp h GLN 11 Ca 0.29 -0.52 -0.00 0.00 -1.45 0.00 0.00 58.65 56.96 2kkp h GLN 11 Cb -0.02 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 2kkp h GLN 11 CO -0.10 1.18 -0.05 2.35 -0.95 0.00 0.00 178.83 181.27 2kkp h TRP 12 N 0.21 -0.12 -0.26 2.96 7.01 -0.59 -1.79 115.95 123.38 2kkp h TRP 12 Ca -0.11 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 60.94 2kkp h TRP 12 Cb 1.72 0.04 -0.05 0.00 -2.10 0.00 0.00 29.16 28.77 2kkp h TRP 12 CO 0.07 0.09 -0.05 -0.07 -2.79 0.00 0.00 178.44 175.69 2kkp h LEU 13 N -0.32 -0.22 -0.25 0.65 3.38 -1.29 0.21 115.31 117.47 2kkp h LEU 13 Ca -0.01 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.07 2kkp h LEU 13 Cb 0.26 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 2kkp h LEU 13 CO 0.02 -0.08 0.02 -1.13 0.09 0.00 0.00 178.44 177.37 2kkp h ASN 14 N 0.01 -0.05 -0.01 -0.43 -1.24 -1.41 -0.28 115.58 112.18 2kkp h ASN 14 Ca 0.12 0.05 -0.00 0.00 0.71 0.00 0.00 56.30 57.18 2kkp h ASN 14 Cb 0.18 0.08 -0.00 0.00 0.73 0.00 0.00 38.32 39.31 2kkp h ASN 14 CO -0.26 0.01 -0.01 -0.09 -1.29 0.00 0.00 177.43 175.79 2kkp h ARG 15 N 0.11 0.02 -0.34 6.67 2.43 -1.02 -2.90 114.38 119.36 2kkp h ARG 15 Ca 0.12 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.30 2kkp h ARG 15 Cb 0.14 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 2kkp h ARG 15 CO -0.18 0.52 0.17 2.35 -1.51 0.00 0.00 179.97 181.33 2kkp h TRP 16 N -0.48 0.32 -0.36 2.20 2.91 -0.44 0.31 115.95 120.41 2kkp h TRP 16 Ca 0.00 0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.07 2kkp h TRP 16 Cb 0.52 -0.10 -0.03 0.00 -0.51 0.00 0.00 29.16 29.04 2kkp h TRP 16 CO 0.10 0.17 0.15 -0.07 -1.03 0.00 0.00 178.44 177.77 2kkp h LEU 17 N 0.36 0.20 -0.55 0.65 4.07 -1.13 0.25 115.31 119.16 2kkp h LEU 17 Ca 0.14 0.03 -0.13 0.00 0.08 0.00 0.00 57.88 58.00 2kkp h LEU 17 Cb 0.05 -0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.76 2kkp h LEU 17 CO -0.09 0.15 -0.64 0.74 -1.08 0.00 0.00 178.44 177.52 2kkp h THR 18 N 0.32 1.31 0.14 0.22 2.02 -1.19 -2.40 112.91 113.34 2kkp h THR 18 Ca 0.16 -2.29 -0.21 0.00 0.77 0.00 0.00 66.41 64.84 2kkp h THR 18 Cb 0.10 2.28 0.02 0.00 -1.74 0.00 0.00 68.15 68.81 2kkp h THR 18 CO -0.13 0.62 -0.98 -0.78 0.37 0.00 0.00 175.52 174.62 2kkp h ASP 19 N 0.00 0.46 0.11 4.18 3.58 -0.07 -3.35 116.42 121.33 2kkp h ASP 19 Ca -0.01 -0.93 0.00 0.00 0.42 0.00 0.00 57.03 56.52 2kkp h ASP 19 Cb 1.23 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.13 2kkp h ASP 19 CO 0.08 1.46 -0.12 -1.22 -2.88 0.00 0.00 179.24 176.56 2kkp n TYR 20 N -4.07 0.00 0.00 0.28 4.02 0.05 -4.31 117.16 113.13 2kkp n TYR 20 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.72 2kkp n TYR 20 Cb 0.85 -0.06 0.00 0.00 -0.02 0.00 0.00 39.34 40.11 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 -0.25 -0.20 -2.69 -0.72 0.00 -0.90 -5.03 120.51 110.71 2kkp n ALA 21 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.58 2kkp n ALA 21 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.78 2kkp n ALA 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2kkp n LYS 22 N -1.50 -3.82 -1.68 0.00 5.02 -1.26 -4.85 118.16 110.07 2kkp n LYS 22 Ca 0.00 2.99 -0.45 0.00 -2.02 0.00 0.00 58.31 58.83 2kkp n LYS 22 Cb 0.00 -5.31 -0.04 0.00 -0.02 0.00 0.00 35.03 29.66 2kkp n LYS 22 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2kkp n PRO 23 N 0.99 2.46 0.17 1.97 -0.04 -1.26 -4.76 135.00 134.52 2kkp n PRO 23 Ca -0.12 0.90 0.00 0.00 -0.04 0.00 0.00 63.50 64.24 2kkp n PRO 23 Cb 0.18 -2.77 0.00 0.00 -0.04 0.00 0.00 33.50 30.87 2kkp n PRO 23 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2kkp n HIS 24 N 6.20 -3.21 -2.27 0.54 8.25 -1.26 -5.13 115.22 118.34 2kkp n HIS 24 Ca 0.20 0.82 -0.28 0.00 -0.26 0.00 0.00 57.72 58.21 2kkp n HIS 24 Cb 0.33 1.70 0.03 0.00 1.12 0.00 0.00 29.99 33.18 2kkp n HIS 24 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2kkp s LEU 25 N -6.87 3.16 0.95 2.41 1.02 -1.26 -5.07 118.68 113.01 2kkp s LEU 25 Ca 0.00 0.82 -0.13 0.00 0.02 0.00 0.00 54.13 54.84 2kkp s LEU 25 Cb 0.00 -3.65 0.16 0.00 0.02 0.00 0.00 46.19 42.72 2kkp s LEU 25 CO 0.00 -1.12 1.15 -0.13 0.02 0.00 0.00 176.35 176.27 2kkp s ARG 26 N -5.08 0.84 0.04 1.70 0.52 -1.26 -4.91 118.95 110.80 2kkp s ARG 26 Ca 0.55 0.19 -0.35 0.00 -0.52 0.00 0.00 55.73 55.60 2kkp s ARG 26 Cb -0.11 -1.81 -0.14 0.00 0.52 0.00 0.00 34.95 33.41 2kkp s ARG 26 CO 0.47 -2.38 1.60 1.04 0.02 0.00 0.00 175.30 176.04 2kkp n GLN 27 N -3.88 1.77 -2.30 3.54 1.13 -1.26 -4.87 117.38 111.50 2kkp n GLN 27 Ca 0.08 0.64 -0.01 0.00 -1.94 0.00 0.00 57.00 55.77 2kkp n GLN 27 Cb 0.59 -2.38 0.05 0.00 0.11 0.00 0.00 30.24 28.61 2kkp n GLN 27 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2kkp n SER 28 N 4.08 0.30 -4.88 1.08 2.88 -1.26 -5.12 113.62 110.69 2kkp n SER 28 Ca 0.20 -2.07 -0.34 0.00 -1.33 0.00 0.00 58.87 55.33 2kkp n SER 28 Cb 0.24 -0.03 -0.05 0.00 -0.75 0.00 0.00 64.21 63.63 2kkp n SER 28 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2kkp s THR 29 N -1.52 5.25 -0.19 2.46 -1.32 -1.26 -4.98 115.64 114.07 2kkp s THR 29 Ca 0.20 0.19 0.07 0.00 -1.21 0.00 0.00 61.69 60.95 2kkp s THR 29 Cb 0.33 -3.59 -0.17 0.00 -1.51 0.00 0.00 72.50 67.56 2kkp s THR 29 CO -0.08 0.31 -0.08 1.87 -2.21 0.00 0.00 174.62 174.42 2kkp n TRP 30 N 0.94 0.00 0.00 9.09 -0.00 -1.26 -4.99 117.44 121.22 2kkp n TRP 30 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.41 2kkp n TRP 30 Cb 0.52 -0.82 0.00 0.00 -0.00 0.00 0.00 31.31 31.02 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 -2.90 0.00 -0.24 5.87 2.13 -1.26 -4.76 120.64 119.47 2kkp n GLU 31 Ca -0.33 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.41 2kkp n GLU 31 Cb 0.96 -2.66 0.04 0.00 0.27 0.00 0.00 31.44 30.05 2kkp n GLU 31 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2kkp h SER 32 N 0.00 1.04 -0.44 4.31 4.64 -1.99 -2.26 113.55 118.85 2kkp h SER 32 Ca 0.00 -0.24 0.09 0.00 -0.47 0.00 0.00 61.79 61.17 2kkp h SER 32 Cb 0.00 -0.27 -0.10 0.00 -0.31 0.00 0.00 62.40 61.72 2kkp h SER 32 CO 0.00 1.01 -0.28 1.88 -0.87 0.00 0.00 176.83 178.57 2kkp h TYR 33 N 1.02 -0.76 -0.02 4.77 -1.99 -2.00 -0.06 116.97 117.92 2kkp h TYR 33 Ca 0.21 0.06 -0.00 0.00 2.00 0.00 0.00 58.73 60.99 2kkp h TYR 33 Cb 0.39 0.40 -0.00 0.00 2.00 0.00 0.00 36.73 39.52 2kkp h TYR 33 CO 0.03 -0.35 -0.00 1.49 -0.00 0.00 0.00 178.16 179.32 2kkp h GLU 34 N -0.19 0.04 -0.03 4.88 4.81 -1.94 -2.75 114.58 119.40 2kkp h GLU 34 Ca 0.20 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.45 2kkp h GLU 34 Cb 0.51 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.83 2kkp h GLU 34 CO -0.55 0.39 -0.33 1.15 -0.73 0.00 0.00 179.01 178.94 2kkp h THR 35 N -0.32 0.29 -0.69 0.32 2.02 -0.89 -1.25 112.91 112.39 2kkp h THR 35 Ca 0.01 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 2kkp h THR 35 Cb 0.38 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 2kkp h THR 35 CO 0.00 0.00 0.15 -0.37 0.37 0.00 0.00 175.52 175.68 2kkp h VAL 36 N -0.46 1.26 0.31 3.16 -1.51 -1.08 -2.55 116.25 115.39 2kkp h VAL 36 Ca 0.07 -0.98 -0.02 0.00 -1.23 0.00 0.00 66.70 64.54 2kkp h VAL 36 Cb 0.56 0.58 0.00 0.00 -2.13 0.00 0.00 31.29 30.30 2kkp h VAL 36 CO -0.29 0.37 -0.15 -0.07 -1.23 0.00 0.00 177.57 176.20 2kkp h LEU 37 N 1.04 -0.35 -0.94 4.19 3.38 -1.17 -2.74 115.31 118.72 2kkp h LEU 37 Ca 0.21 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.26 2kkp h LEU 37 Cb 0.39 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 2kkp h LEU 37 CO 0.01 -0.12 0.60 0.08 0.09 0.00 0.00 178.44 179.09 2kkp h ARG 38 N -0.69 1.04 -0.10 1.13 0.11 -1.33 0.34 114.38 114.88 2kkp h ARG 38 Ca -0.04 -0.06 0.02 0.00 0.10 0.00 0.00 59.98 60.00 2kkp h ARG 38 Cb 0.32 -0.23 -0.02 0.00 1.11 0.00 0.00 29.97 31.15 2kkp h ARG 38 CO 0.07 0.69 -0.03 1.25 0.10 0.00 0.00 179.97 182.04 2kkp h LEU 39 N 1.07 -0.12 0.00 0.08 5.85 -1.54 -2.97 115.31 117.68 2kkp h LEU 39 Ca 0.41 0.03 -0.36 0.00 0.84 0.00 0.00 57.88 58.80 2kkp h LEU 39 Cb 0.20 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.24 2kkp h LEU 39 CO -0.18 -0.05 -2.38 1.41 -0.34 0.00 0.00 178.44 176.91 2kkp n HIS 40 N -5.16 0.00 0.04 1.25 8.25 -0.91 -4.59 115.22 114.10 2kkp n HIS 40 Ca -0.05 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.48 2kkp n HIS 40 Cb 0.09 -0.93 -0.08 0.00 1.12 0.00 0.00 29.99 30.18 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 -3.20 0.66 -0.05 1.59 3.14 0.12 -4.35 118.33 116.24 2kkp n VAL 41 Ca -0.43 -0.60 -0.14 0.00 -2.96 0.00 0.00 64.34 60.21 2kkp n VAL 41 Cb 0.96 -0.36 -0.07 0.00 -1.06 0.00 0.00 33.84 33.31 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 1.36 -0.65 1.55 5.03 -1.36 0.26 117.51 123.69 2kkp h ILE 42 Ca -0.09 -1.59 0.11 0.00 -0.12 0.00 0.00 64.86 63.17 2kkp h ILE 42 Cb 1.26 2.00 -0.04 0.00 -3.03 0.00 0.00 36.82 37.01 2kkp h ILE 42 CO 0.01 0.48 0.44 -0.65 -0.68 0.00 0.00 178.15 177.75 2kkp h PRO 43 N 0.10 0.43 0.00 2.37 0.11 -1.76 0.31 132.00 133.56 2kkp h PRO 43 Ca 0.00 -0.03 -0.25 0.00 0.11 0.00 0.00 66.00 65.84 2kkp h PRO 43 Cb 0.93 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.90 2kkp h PRO 43 CO 0.07 0.28 -1.90 -2.37 -0.21 0.00 0.00 178.00 173.88 2kkp n THR 44 N -4.47 0.90 0.69 -1.15 5.66 -1.22 -4.72 114.28 109.96 2kkp n THR 44 Ca 0.11 -0.31 0.07 0.00 -3.05 0.00 0.00 64.05 60.88 2kkp n THR 44 Cb 0.40 -1.27 -0.03 0.00 -1.55 0.00 0.00 70.33 67.89 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 -3.21 1.33 0.26 1.09 4.32 0.80 -4.38 117.00 117.21 2kkp n LEU 45 Ca -0.29 -0.69 0.15 0.00 -0.02 0.00 0.00 56.01 55.16 2kkp n LEU 45 Cb 0.77 0.00 0.61 0.00 -1.62 0.00 0.00 43.42 43.18 2kkp n LEU 45 CO 0.11 0.27 0.93 1.23 -1.22 0.00 0.00 177.39 178.71 2kkp h GLY 46 N 3.38 0.00 -0.81 -0.72 0.00 0.21 -1.89 103.07 103.24 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 -3.22 1.57 -4.75 0.19 3.41 -1.25 -2.54 113.62 107.03 2kkp n SER 47 Ca 0.00 -1.76 -0.37 0.00 -0.26 0.00 0.00 58.87 56.49 2kkp n SER 47 Cb 0.35 -0.13 -0.07 0.00 -0.26 0.00 0.00 64.21 64.10 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 -1.75 5.30 0.33 -1.33 1.01 -0.71 -4.92 121.20 119.12 2kkp s ILE 48 Ca 0.29 0.54 -0.29 0.00 0.00 0.00 0.00 60.65 61.20 2kkp s ILE 48 Cb 0.16 -3.62 -0.10 0.00 0.01 0.00 0.00 42.46 38.90 2kkp s ILE 48 CO 0.23 0.42 1.33 -2.16 0.00 0.00 0.00 174.94 174.77 2kkp s PRO 49 N 0.23 4.33 0.45 2.79 0.04 -1.26 -3.01 135.00 138.56 2kkp s PRO 49 Ca 0.17 2.26 0.18 0.00 0.04 0.00 0.00 61.00 63.65 2kkp s PRO 49 Cb -0.13 -3.06 1.14 0.00 0.04 0.00 0.00 34.50 32.48 2kkp s PRO 49 CO 0.04 -0.24 1.93 -0.07 0.04 0.00 0.00 177.00 178.71 2kkp h LEU 50 N 3.48 0.30 -0.64 -3.56 3.38 -1.93 0.43 115.31 116.77 2kkp h LEU 50 Ca -0.49 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2kkp h LEU 50 Cb 1.23 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2kkp h LEU 50 CO 0.66 0.15 0.00 0.29 0.09 0.00 0.00 178.44 179.63 2kkp n LYS 51 N -4.45 1.43 -0.00 1.13 5.02 -1.26 -2.82 118.16 117.20 2kkp n LYS 51 Ca 0.14 -0.64 0.07 0.00 -2.02 0.00 0.00 58.31 55.85 2kkp n LYS 51 Cb 0.57 -1.41 -0.10 0.00 -0.02 0.00 0.00 35.03 34.07 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 -0.18 0.93 -1.49 1.97 4.81 0.11 -5.00 118.16 119.30 2kkp n LYS 52 Ca 0.17 -0.09 -0.51 0.00 -0.87 0.00 0.00 58.31 57.01 2kkp n LYS 52 Cb 0.24 -1.27 -0.07 0.00 0.02 0.00 0.00 35.03 33.96 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 -1.81 2.32 -4.74 3.14 -0.00 -0.99 -4.94 117.00 109.97 2kkp n LEU 53 Ca -0.01 0.51 -0.27 0.00 -0.00 0.00 0.00 56.01 56.23 2kkp n LEU 53 Cb 0.31 -1.27 -0.06 0.00 -0.00 0.00 0.00 43.42 42.39 2kkp n LEU 53 CO 0.27 -0.65 -0.27 -1.10 -0.00 0.00 0.00 177.39 175.65 2kkp s GLN 54 N 5.82 2.70 0.55 1.96 -0.21 -1.26 -4.92 119.66 124.30 2kkp s GLN 54 Ca 1.07 -0.93 0.22 0.00 0.02 0.00 0.00 55.36 55.74 2kkp s GLN 54 Cb -0.84 -2.55 1.50 0.00 1.00 0.00 0.00 33.01 32.13 2kkp s GLN 54 CO 0.50 0.49 2.19 -1.35 -2.12 0.00 0.00 175.29 175.00 2kkp h PRO 55 N 2.68 0.00 -0.43 2.91 0.11 -1.92 -2.51 132.00 132.84 2kkp h PRO 55 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2kkp h PRO 55 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2kkp h PRO 55 CO 0.61 0.01 0.27 0.00 -0.21 0.00 0.00 178.00 178.68 2kkp h ALA 56 N 1.99 0.55 -0.69 -0.75 0.00 -1.93 0.86 119.26 119.29 2kkp h ALA 56 Ca -0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2kkp h ALA 56 Cb 0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2kkp h ALA 56 CO 0.00 0.02 0.29 -0.44 0.00 0.00 0.00 179.25 179.12 2kkp h ASP 57 N 0.58 0.94 -0.12 0.00 3.32 -1.87 0.09 116.42 119.37 2kkp h ASP 57 Ca 0.16 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2kkp h ASP 57 Cb -0.03 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.27 2kkp h ASP 57 CO -0.03 0.85 0.02 0.40 -1.72 0.00 0.00 179.24 178.76 2kkp h ILE 58 N 0.98 1.22 -0.45 0.35 2.04 -1.40 0.34 117.51 120.59 2kkp h ILE 58 Ca 0.23 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 2kkp h ILE 58 Cb 0.19 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 2kkp h ILE 58 CO -0.02 0.20 0.17 -0.61 0.00 0.00 0.00 178.15 177.89 2kkp h GLN 59 N -0.04 0.67 -0.57 2.37 4.15 -0.69 -1.37 115.11 119.63 2kkp h GLN 59 Ca 0.04 -0.13 -0.05 0.00 0.77 0.00 0.00 58.65 59.28 2kkp h GLN 59 Cb 0.30 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.86 2kkp h GLN 59 CO 0.00 0.62 0.16 -0.09 -1.93 0.00 0.00 178.83 177.59 2kkp h ARG 60 N 0.58 0.86 -0.17 1.69 2.43 -0.92 0.19 114.38 119.04 2kkp h ARG 60 Ca 0.15 -0.17 0.04 0.00 -0.81 0.00 0.00 59.98 59.19 2kkp h ARG 60 Cb 0.21 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 2kkp h ARG 60 CO -0.01 0.76 -0.11 1.25 -1.51 0.00 0.00 179.97 180.35 2kkp h LEU 61 N 0.84 -0.35 -0.56 3.80 7.12 -0.42 0.32 115.31 126.06 2kkp h LEU 61 Ca 0.19 0.08 -0.03 0.00 0.13 0.00 0.00 57.88 58.25 2kkp h LEU 61 Cb 0.27 0.19 -0.03 0.00 -0.53 0.00 0.00 40.66 40.56 2kkp h LEU 61 CO -0.01 -0.14 0.25 1.88 -0.13 0.00 0.00 178.44 180.29 2kkp h TYR 62 N -0.11 0.83 0.61 1.25 0.05 -0.65 0.10 116.97 119.06 2kkp h TYR 62 Ca 0.10 -0.05 -0.03 0.00 0.05 0.00 0.00 58.73 58.80 2kkp h TYR 62 Cb 0.25 -0.25 0.01 0.00 1.01 0.00 0.00 36.73 37.75 2kkp h TYR 62 CO -0.25 0.65 -0.29 0.00 -1.05 0.00 0.00 178.16 177.22 2kkp h ALA 63 N 1.09 -0.82 0.00 3.88 0.00 -0.58 0.55 119.26 123.38 2kkp h ALA 63 Ca 0.19 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2kkp h ALA 63 Cb 0.16 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2kkp h ALA 63 CO -0.02 -0.94 -0.31 0.77 0.00 0.00 0.00 179.25 178.74 2kkp h SER 64 N -0.86 0.00 1.17 0.00 0.02 -0.95 -1.50 113.55 111.43 2kkp h SER 64 Ca -0.08 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.80 2kkp h SER 64 Cb 0.65 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 2kkp h SER 64 CO 0.14 0.31 -0.31 0.50 -1.14 0.00 0.00 176.83 176.33 2kkp h LYS 65 N 0.00 0.00 -0.14 3.45 3.64 -0.79 -2.05 116.57 120.68 2kkp h LYS 65 Ca -0.00 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.15 2kkp h LYS 65 Cb 0.74 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.57 2kkp h LYS 65 CO 0.04 0.31 -0.79 1.25 -2.27 0.00 0.00 179.45 177.99 2kkp h LEU 66 N 0.00 0.91 -1.08 5.20 5.85 0.09 -2.93 115.31 123.34 2kkp h LEU 66 Ca -0.00 -0.60 0.00 0.00 0.84 0.00 0.00 57.88 58.12 2kkp h LEU 66 Cb 0.98 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.74 2kkp h LEU 66 CO 0.04 1.39 0.00 -0.33 -0.34 0.00 0.00 178.44 179.20 2kkp h GLU 67 N 0.51 0.00 0.00 1.25 5.08 -1.01 -0.42 114.58 119.99 2kkp h GLU 67 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2kkp h GLU 67 Cb 1.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 2kkp h GLU 67 CO 0.16 0.00 0.00 1.03 -1.00 0.00 0.00 179.01 179.20 2kkp h SER 68 N 0.00 0.00 0.00 1.42 0.87 -1.18 -3.47 113.55 111.19 2kkp h SER 68 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kkp h SER 68 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2kkp h SER 68 CO 0.00 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.91 2kkp n GLY 69 N 0.49 1.42 3.85 5.77 0.00 -0.17 -5.11 105.19 111.44 2kkp n GLY 69 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 4.36 0.30 0.99 1.43 -1.21 -5.07 118.68 119.47 2kkp s LEU 70 Ca 0.00 0.43 -0.29 0.00 -1.03 0.00 0.00 54.13 53.24 2kkp s LEU 70 Cb 0.00 -2.08 -0.11 0.00 0.03 0.00 0.00 46.19 44.03 2kkp s LEU 70 CO 0.00 0.36 1.45 -0.55 0.23 0.00 0.00 176.35 177.85 2kkp s SER 71 N -0.75 6.56 0.59 2.29 0.15 -1.26 -4.79 113.70 116.49 2kkp s SER 71 Ca 0.14 2.80 0.29 0.00 0.70 0.00 0.00 55.95 59.88 2kkp s SER 71 Cb -0.12 -2.64 1.59 0.00 -1.71 0.00 0.00 66.02 63.15 2kkp s SER 71 CO 0.03 -0.74 2.02 1.55 1.20 0.00 0.00 173.24 177.30 2kkp h PRO 72 N 4.30 0.00 -0.13 5.44 0.13 -1.97 -0.96 132.00 138.80 2kkp h PRO 72 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2kkp h PRO 72 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2kkp h PRO 72 CO 0.73 0.00 0.06 1.79 -0.23 0.00 0.00 178.00 180.35 2kkp h THR 73 N 0.00 1.13 0.00 1.56 1.35 -1.99 0.30 112.91 115.26 2kkp h THR 73 Ca 0.13 -0.37 -0.11 0.00 -0.55 0.00 0.00 66.41 65.50 2kkp h THR 73 Cb 0.74 1.14 -0.02 0.00 -1.73 0.00 0.00 68.15 68.28 2kkp h THR 73 CO -0.00 0.12 -0.54 -0.09 -0.25 0.00 0.00 175.52 174.75 2kkp h ARG 74 N 0.08 0.00 -0.65 4.72 2.43 -1.59 -2.10 114.38 117.26 2kkp h ARG 74 Ca 0.04 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 2kkp h ARG 74 Cb 0.13 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 2kkp h ARG 74 CO -0.01 0.54 0.24 0.28 -1.51 0.00 0.00 179.97 179.52 2kkp h VAL 75 N 0.00 1.24 -0.46 0.20 2.07 -0.98 -1.25 116.25 117.07 2kkp h VAL 75 Ca -0.01 -0.78 -0.11 0.00 0.82 0.00 0.00 66.70 66.63 2kkp h VAL 75 Cb 1.15 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 2kkp h VAL 75 CO 0.07 0.30 -0.14 -0.09 0.02 0.00 0.00 177.57 177.73 2kkp h ARG 76 N 0.92 0.87 -0.37 1.57 2.43 -0.71 -2.41 114.38 116.68 2kkp h ARG 76 Ca 0.22 -0.32 0.04 0.00 -0.81 0.00 0.00 59.98 59.11 2kkp h ARG 76 Cb 0.23 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 2kkp h ARG 76 CO -0.01 0.96 0.14 -0.92 -1.51 0.00 0.00 179.97 178.62 2kkp h TYR 77 N 0.77 0.24 -0.47 2.20 3.20 -1.02 -1.33 116.97 120.57 2kkp h TYR 77 Ca 0.12 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.02 2kkp h TYR 77 Cb 0.66 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 2kkp h TYR 77 CO 0.04 0.10 0.31 0.82 -1.64 0.00 0.00 178.16 177.79 2kkp h ILE 78 N 0.29 1.10 -0.67 1.81 2.04 -1.03 0.15 117.51 121.21 2kkp h ILE 78 Ca 0.17 -0.21 -0.08 0.00 1.00 0.00 0.00 64.86 65.75 2kkp h ILE 78 Cb 0.14 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 2kkp h ILE 78 CO -0.17 0.11 0.12 -0.74 0.00 0.00 0.00 178.15 177.47 2kkp h HIS 79 N 0.60 1.16 -0.06 1.37 2.76 -0.82 -1.13 115.15 119.03 2kkp h HIS 79 Ca 0.18 -0.16 -0.07 0.00 -2.20 0.00 0.00 60.37 58.11 2kkp h HIS 79 Cb -0.02 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 28.62 2kkp h HIS 79 CO -0.00 0.97 -0.25 0.28 -1.30 0.00 0.00 177.93 177.63 2kkp h VAL 80 N 1.02 1.43 -0.58 5.26 2.07 -0.18 -2.28 116.25 122.99 2kkp h VAL 80 Ca 0.20 -1.65 -0.11 0.00 0.82 0.00 0.00 66.70 65.96 2kkp h VAL 80 Cb 0.43 2.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.51 2kkp h VAL 80 CO 0.01 0.47 -0.05 1.62 0.02 0.00 0.00 177.57 179.64 2kkp h VAL 81 N -0.23 1.27 -0.75 2.57 3.04 -0.76 -1.27 116.25 120.11 2kkp h VAL 81 Ca -0.01 -1.21 -0.05 0.00 -1.01 0.00 0.00 66.70 64.42 2kkp h VAL 81 Cb 0.89 0.86 -0.03 0.00 -2.01 0.00 0.00 31.29 31.00 2kkp h VAL 81 CO 0.05 0.44 0.29 0.25 -1.01 0.00 0.00 177.57 177.59 2kkp h LEU 82 N 0.96 1.05 -0.03 3.16 5.85 -1.27 0.05 115.31 125.07 2kkp h LEU 82 Ca 0.16 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.73 2kkp h LEU 82 Cb 0.62 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 2kkp h LEU 82 CO 0.04 0.94 -0.15 -0.74 -0.34 0.00 0.00 178.44 178.19 2kkp h HIS 83 N 1.09 -0.37 -0.26 1.25 2.76 -0.98 0.11 115.15 118.75 2kkp h HIS 83 Ca 0.25 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.41 2kkp h HIS 83 Cb 0.23 0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.35 2kkp h HIS 83 CO 0.02 -0.21 0.07 1.49 -1.30 0.00 0.00 177.93 177.99 2kkp h GLU 84 N -0.23 0.41 -0.33 5.26 4.57 -0.89 0.13 114.58 123.51 2kkp h GLU 84 Ca 0.06 -0.10 -0.06 0.00 -1.18 0.00 0.00 59.36 58.08 2kkp h GLU 84 Cb 0.31 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 2kkp h GLU 84 CO -0.17 0.50 -0.04 0.00 -1.18 0.00 0.00 179.01 178.12 2kkp h ALA 85 N 0.89 0.44 0.00 2.92 0.00 -0.89 -2.74 119.26 119.88 2kkp h ALA 85 Ca 0.08 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 2kkp h ALA 85 Cb 0.27 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2kkp h ALA 85 CO 0.00 0.24 -0.38 1.98 0.00 0.00 0.00 179.25 181.09 2kkp h MET 86 N 0.39 0.00 -0.27 0.00 1.85 -0.74 -2.69 114.93 113.48 2kkp h MET 86 Ca 0.09 0.00 0.06 0.00 -0.61 0.00 0.00 59.70 59.24 2kkp h MET 86 Cb 0.52 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.54 2kkp h MET 86 CO 0.03 0.38 0.19 1.03 -0.40 0.00 0.00 176.91 178.13 2kkp h SER 87 N 0.00 0.07 -0.72 1.39 0.87 -0.42 -1.17 113.55 113.57 2kkp h SER 87 Ca -0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.49 2kkp h SER 87 Cb 0.87 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.78 2kkp h SER 87 CO 0.05 0.04 0.20 1.56 -0.53 0.00 0.00 176.83 178.16 2kkp h GLN 88 N 0.08 1.13 -0.21 2.24 1.08 -1.41 -1.03 115.11 116.99 2kkp h GLN 88 Ca 0.12 -0.25 -0.11 0.00 -1.45 0.00 0.00 58.65 56.96 2kkp h GLN 88 Cb 0.39 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 2kkp h GLN 88 CO -0.01 0.98 -0.35 0.00 -0.95 0.00 0.00 178.83 178.50 2kkp h ALA 89 N 1.13 1.01 -0.04 3.87 0.00 -1.36 -2.30 119.26 121.58 2kkp h ALA 89 Ca 0.23 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2kkp h ALA 89 Cb 0.33 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2kkp h ALA 89 CO -0.00 0.60 0.00 -0.09 0.00 0.00 0.00 179.25 179.76 2kkp h ARG 90 N 0.38 0.07 0.00 0.00 2.43 -1.02 -0.58 114.38 115.66 2kkp h ARG 90 Ca 0.04 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2kkp h ARG 90 Cb 0.80 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 2kkp h ARG 90 CO 0.06 0.32 0.00 0.39 -1.51 0.00 0.00 179.97 179.24 2kkp n GLU 91 N -4.91 0.96 -0.04 0.20 1.02 -0.44 -1.81 120.64 115.62 2kkp n GLU 91 Ca -0.07 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.12 2kkp n GLU 91 Cb 0.16 -1.10 0.07 0.00 -0.02 0.00 0.00 31.44 30.55 2kkp n GLU 91 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2kkp n SER 92 N -0.60 2.11 0.00 1.62 7.64 -0.87 -4.98 113.62 118.54 2kkp n SER 92 Ca 0.05 -1.58 0.00 0.00 1.01 0.00 0.00 58.87 58.35 2kkp n SER 92 Cb 0.02 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 2kkp n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kkp n GLY 93 N 0.52 0.46 0.09 0.23 0.00 -0.75 -4.90 105.19 100.84 2kkp n GLY 93 Ca 0.07 -0.36 -0.05 0.00 0.00 0.00 0.00 46.02 45.68 2kkp n GLY 93 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kkp n LEU 94 N 0.00 0.78 -3.88 0.99 4.77 -0.26 -4.80 117.00 114.60 2kkp n LEU 94 Ca 0.00 0.36 -0.25 0.00 -0.03 0.00 0.00 56.01 56.09 2kkp n LEU 94 Cb 0.00 0.15 -0.17 0.00 -2.33 0.00 0.00 43.42 41.07 2kkp n LEU 94 CO 0.00 0.28 -0.42 -0.22 -1.33 0.00 0.00 177.39 175.70 2kkp s LEU 95 N -5.87 1.08 0.03 2.23 2.96 -1.01 -4.66 118.68 113.43 2kkp s LEU 95 Ca -0.04 -0.22 0.28 0.00 -0.22 0.00 0.00 54.13 53.93 2kkp s LEU 95 Cb 0.08 -0.68 1.15 0.00 0.50 0.00 0.00 46.19 47.24 2kkp s LEU 95 CO 0.82 -0.12 1.89 0.00 -1.32 0.00 0.00 176.35 177.62 2kkp n LEU 96 N 4.78 0.13 -4.37 -0.68 -0.00 -1.26 -4.10 117.00 111.51 2kkp n LEU 96 Ca -0.13 0.49 -0.19 0.00 -0.00 0.00 0.00 56.01 56.18 2kkp n LEU 96 Cb 0.50 -0.46 -0.10 0.00 -0.00 0.00 0.00 43.42 43.36 2kkp n LEU 96 CO 0.16 -0.02 -0.25 0.00 -0.00 0.00 0.00 177.39 177.28 2kkp s GLN 97 N -3.01 1.52 -0.42 1.47 -2.07 -1.26 -5.12 119.66 110.77 2kkp s GLN 97 Ca 0.13 -1.84 0.04 0.00 -1.82 0.00 0.00 55.36 51.87 2kkp s GLN 97 Cb 0.18 -0.44 0.11 0.00 -1.09 0.00 0.00 33.01 31.77 2kkp s GLN 97 CO 0.55 -0.29 0.15 1.21 -1.32 0.00 0.00 175.29 175.59 2kkp s ASN 98 N -3.38 4.54 0.08 12.60 2.47 -1.26 -4.84 114.94 125.14 2kkp s ASN 98 Ca 0.37 -2.56 0.26 0.00 0.42 0.00 0.00 52.86 51.35 2kkp s ASN 98 Cb 0.08 -1.62 0.80 0.00 -1.45 0.00 0.00 41.25 39.05 2kkp s ASN 98 CO 0.15 -0.31 1.66 -0.81 -3.72 0.00 0.00 177.10 174.07 2kkp n PRO 99 N 3.71 0.13 -0.17 0.43 -0.05 -1.26 -3.93 135.00 133.86 2kkp n PRO 99 Ca 0.04 0.07 -0.03 0.00 -0.05 0.00 0.00 63.50 63.53 2kkp n PRO 99 Cb 0.37 -1.62 0.16 0.00 -0.05 0.00 0.00 33.50 32.37 2kkp n PRO 99 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 175.50 176.60 2kkp h THR 100 N 0.00 1.23 -0.01 0.52 2.02 -1.93 -0.88 112.91 113.86 2kkp h THR 100 Ca 0.00 -0.79 -0.19 0.00 0.77 0.00 0.00 66.41 66.20 2kkp h THR 100 Cb 0.61 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 2kkp h THR 100 CO 0.00 0.31 -0.83 -0.33 0.37 0.00 0.00 175.52 175.04 2kkp h GLU 101 N 0.90 0.23 0.00 6.66 3.07 -1.96 -2.80 114.58 120.68 2kkp h GLU 101 Ca 0.20 -0.23 -0.03 0.00 -0.50 0.00 0.00 59.36 58.80 2kkp h GLU 101 Cb 0.26 0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.22 2kkp h GLU 101 CO -0.01 0.93 -0.16 0.00 -1.40 0.00 0.00 179.01 178.37 2kkp h ALA 102 N 0.99 1.10 -1.77 3.43 0.00 -1.61 -3.37 119.26 118.03 2kkp h ALA 102 Ca -0.04 -0.15 -0.66 0.00 0.00 0.00 0.00 54.91 54.06 2kkp h ALA 102 Cb 1.43 -0.03 -0.16 0.00 0.00 0.00 0.00 17.79 19.03 2kkp h ALA 102 CO 0.13 0.20 0.77 0.00 0.00 0.00 0.00 179.25 180.35 2kkp s ALA 103 N -3.83 3.23 -0.01 0.00 0.00 -0.38 -4.94 121.76 115.82 2kkp s ALA 103 Ca -0.01 -2.40 -0.30 0.00 0.00 0.00 0.00 51.96 49.25 2kkp s ALA 103 Cb 0.11 -4.01 -0.05 0.00 0.00 0.00 0.00 23.12 19.17 2kkp s ALA 103 CO 0.60 -2.95 1.35 0.21 0.00 0.00 0.00 175.76 174.97 2kkp s LYS 104 N 3.33 4.30 1.02 0.00 2.20 -1.26 -4.82 119.74 124.51 2kkp s LYS 104 Ca 0.30 1.89 -0.15 0.00 -0.36 0.00 0.00 55.97 57.64 2kkp s LYS 104 Cb -0.09 -3.57 0.20 0.00 -1.51 0.00 0.00 37.83 32.87 2kkp s LYS 104 CO -0.02 -0.54 1.17 -1.25 -0.36 0.00 0.00 175.35 174.34 2kkp s PRO 105 N 2.34 0.23 0.99 4.03 0.04 -1.26 -4.84 135.00 136.53 2kkp s PRO 105 Ca 0.62 0.03 -0.14 0.00 0.04 0.00 0.00 61.00 61.55 2kkp s PRO 105 Cb -0.30 -1.76 0.04 0.00 0.04 0.00 0.00 34.50 32.53 2kkp s PRO 105 CO 0.25 -2.76 0.25 -2.30 0.04 0.00 0.00 177.00 172.48 2kkp n PRO 106 N -4.11 -0.54 -2.04 0.56 -0.02 -1.26 -4.93 135.00 122.66 2kkp n PRO 106 Ca 0.10 -0.12 -0.35 0.00 -2.02 0.00 0.00 63.50 61.11 2kkp n PRO 106 Cb 0.59 -1.78 0.03 0.00 -0.02 0.00 0.00 33.50 32.32 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 -3.51 3.04 -0.49 -0.52 0.52 -1.26 -4.99 118.95 111.74 2kkp s ARG 107 Ca 0.56 1.70 -0.17 0.00 -0.52 0.00 0.00 55.73 57.29 2kkp s ARG 107 Cb -0.19 -1.95 0.07 0.00 0.52 0.00 0.00 34.95 33.40 2kkp s ARG 107 CO 0.68 -1.12 0.49 -1.58 0.02 0.00 0.00 175.30 173.78 2kkp s HIS 108 N -1.77 3.17 0.00 -0.53 5.65 -1.26 -5.00 115.29 115.55 2kkp s HIS 108 Ca 0.74 -0.80 0.00 0.00 0.25 0.00 0.00 55.06 55.25 2kkp s HIS 108 Cb -0.27 -3.33 0.00 0.00 -1.18 0.00 0.00 32.58 27.80 2kkp s HIS 108 CO 0.33 -0.90 0.20 -2.30 -0.65 0.00 0.00 174.74 171.42 2kkp n PRO 109 N 5.57 0.00 -2.73 2.88 -0.02 -1.26 -4.86 135.00 134.58 2kkp n PRO 109 Ca -0.10 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.04 2kkp n PRO 109 Cb 0.44 -0.68 -0.06 0.00 -0.02 0.00 0.00 33.50 33.18 2kkp n PRO 109 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2kkp s LEU 110 N -0.93 3.99 0.28 2.45 2.01 -1.26 -5.06 118.68 120.16 2kkp s LEU 110 Ca 0.00 1.79 -0.00 0.00 0.01 0.00 0.00 54.13 55.93 2kkp s LEU 110 Cb 0.00 -4.45 -0.02 0.00 0.01 0.00 0.00 46.19 41.73 2kkp s LEU 110 CO 0.00 -0.43 0.30 -0.70 1.01 0.00 0.00 176.35 176.54 2kkp s GLU 111 N -2.99 1.59 0.00 1.70 2.12 -1.26 -4.96 118.70 114.90 2kkp s GLU 111 Ca 0.61 -1.73 0.00 0.00 0.36 0.00 0.00 54.97 54.21 2kkp s GLU 111 Cb -0.13 0.36 0.00 0.00 0.26 0.00 0.00 34.13 34.62 2kkp s GLU 111 CO 0.17 -0.60 0.00 1.58 -0.54 0.00 0.00 175.26 175.87 2kkp n HIS 112 N -0.46 0.00 -3.10 5.30 -0.00 -1.26 -4.81 115.22 110.89 2kkp n HIS 112 Ca 0.03 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.78 2kkp n HIS 112 Cb 0.63 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.44 2kkp n HIS 112 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kkp s HIS 113 N 0.00 3.09 0.65 1.57 5.65 -1.26 -5.04 115.29 119.95 2kkp s HIS 113 Ca 0.00 0.12 -0.14 0.00 0.25 0.00 0.00 55.06 55.30 2kkp s HIS 113 Cb 0.00 -3.30 -0.01 0.00 -1.18 0.00 0.00 32.58 28.09 2kkp s HIS 113 CO 0.00 -0.79 1.07 -1.01 -0.65 0.00 0.00 174.74 173.36 2kkp s HIS 114 N 2.83 2.90 -0.56 3.88 0.09 -1.26 -5.01 115.29 118.15 2kkp s HIS 114 Ca 0.24 1.50 -0.06 0.00 -0.00 0.00 0.00 55.06 56.74 2kkp s HIS 114 Cb -0.14 -3.01 0.15 0.00 -0.00 0.00 0.00 32.58 29.58 2kkp s HIS 114 CO 0.18 -1.34 0.41 -1.58 -0.00 0.00 0.00 174.74 172.41 2kkp s HIS 115 N -2.64 3.49 -0.23 1.40 2.46 -1.26 -4.86 115.29 113.66 2kkp s HIS 115 Ca 0.62 -2.31 0.27 0.00 0.47 0.00 0.00 55.06 54.11 2kkp s HIS 115 Cb -0.16 -3.38 0.75 0.00 -0.13 0.00 0.00 32.58 29.66 2kkp s HIS 115 CO 0.45 -0.93 1.76 1.25 -2.47 0.00 0.00 174.74 174.80 2kkp h HIS 116 N 7.75 0.00 0.00 3.88 2.76 -2.05 -3.55 115.15 123.94 2kkp h HIS 116 Ca -0.08 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.09 2kkp h HIS 116 Cb 1.02 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.98 2kkp h HIS 116 CO 0.70 0.00 0.00 1.58 -1.30 0.00 0.00 177.93 178.91