#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kkd h ARG 36 N 0.00 -0.38 -0.85 3.69 -0.00 -2.03 0.20 114.38 115.01 3kkd h ARG 36 Ca 0.00 0.03 0.22 0.00 -0.50 0.00 0.00 59.98 59.72 3kkd h ARG 36 Cb 0.00 0.09 -0.14 0.00 0.00 0.00 0.00 29.97 29.92 3kkd h ARG 36 CO 0.00 -0.25 0.14 0.07 0.00 0.00 0.00 179.97 179.93 3kkd h ARG 37 N -0.40 0.16 -0.24 0.04 -0.00 -2.00 -2.43 114.38 109.51 3kkd h ARG 37 Ca 0.05 -0.01 -0.19 0.00 -0.00 0.00 0.00 59.98 59.83 3kkd h ARG 37 Cb 0.54 -0.04 0.00 0.00 -0.00 0.00 0.00 29.97 30.47 3kkd h ARG 37 CO -0.47 0.10 -0.61 -0.56 -0.00 0.00 0.00 179.97 178.43 3kkd h GLN 38 N 0.16 0.80 0.18 0.08 3.07 -1.71 -2.06 115.11 115.64 3kkd h GLN 38 Ca 0.51 -0.55 0.01 0.00 0.09 0.00 0.00 58.65 58.71 3kkd h GLN 38 Cb 0.99 0.08 -0.04 0.00 0.08 0.00 0.00 27.48 28.59 3kkd h GLN 38 CO -0.68 1.17 -0.41 0.00 0.09 0.00 0.00 178.83 179.01 3kkd h ALA 39 N 0.70 -0.76 -0.19 0.06 0.00 -0.19 0.25 119.26 119.12 3kkd h ALA 39 Ca -0.00 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3kkd h ALA 39 Cb 1.22 0.66 -0.07 0.00 0.00 0.00 0.00 17.79 19.61 3kkd h ALA 39 CO 0.13 -0.99 -0.53 0.82 0.00 0.00 0.00 179.25 178.68 3kkd h ILE 40 N -0.69 0.00 -0.59 0.00 2.04 -1.40 1.24 117.51 118.12 3kkd h ILE 40 Ca 0.01 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.98 3kkd h ILE 40 Cb 0.69 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.68 3kkd h ILE 40 CO -0.20 0.00 0.09 -0.07 0.00 0.00 0.00 178.15 177.97 3kkd h LEU 41 N -0.53 -0.07 -0.55 1.44 3.38 -1.32 0.20 115.31 117.86 3kkd h LEU 41 Ca 0.04 0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 3kkd h LEU 41 Cb 0.64 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 3kkd h LEU 41 CO -0.46 -0.02 0.20 0.44 0.09 0.00 0.00 178.44 178.69 3kkd h ASP 42 N 0.21 0.78 -0.31 -0.43 3.32 0.95 -2.84 116.42 118.10 3kkd h ASP 42 Ca 0.31 -0.18 0.02 0.00 0.02 0.00 0.00 57.03 57.19 3kkd h ASP 42 Cb 0.47 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3kkd h ASP 42 CO -0.42 0.75 0.17 0.00 -1.72 0.00 0.00 179.24 178.01 3kkd h ALA 43 N 1.06 0.38 0.00 3.45 0.00 0.25 -2.30 119.26 122.10 3kkd h ALA 43 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3kkd h ALA 43 Cb 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3kkd h ALA 43 CO -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.03 3kkd n ALA 44 N -2.22 0.88 0.00 0.00 0.00 0.60 -2.07 120.51 117.69 3kkd n ALA 44 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3kkd n ALA 44 Cb 0.06 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 18.84 3kkd n ALA 44 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3kkd n ARG 46 N 0.64 0.00 -0.08 0.00 0.00 -0.87 -1.82 116.66 114.53 3kkd n ARG 46 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.83 3kkd n ARG 46 Cb 0.00 0.00 0.23 0.00 0.00 0.00 0.00 32.46 32.69 3kkd n ARG 46 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 3kkd h LEU 47 N 0.00 0.66 0.15 6.15 3.38 -1.71 0.04 115.31 123.99 3kkd h LEU 47 Ca 0.00 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3kkd h LEU 47 Cb 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3kkd h LEU 47 CO 0.00 0.68 -0.07 0.40 0.09 0.00 0.00 178.44 179.54 3kkd h ILE 48 N 0.69 0.97 -0.66 1.22 2.04 -1.49 0.16 117.51 120.45 3kkd h ILE 48 Ca 0.15 -1.03 0.14 0.00 1.00 0.00 0.00 64.86 65.12 3kkd h ILE 48 Cb 0.30 1.56 -0.11 0.00 -0.74 0.00 0.00 36.82 37.83 3kkd h ILE 48 CO 0.00 0.22 0.06 0.58 0.00 0.00 0.00 178.15 179.02 3kkd h VAL 49 N -0.74 0.50 0.03 1.67 2.07 -1.84 -1.09 116.25 116.85 3kkd h VAL 49 Ca -0.02 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 3kkd h VAL 49 Cb 0.52 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3kkd h VAL 49 CO 0.03 0.03 -0.01 -0.09 0.02 0.00 0.00 177.57 177.55 3kkd h ARG 50 N 0.17 -0.04 -0.40 1.57 2.43 -0.86 -3.40 114.38 113.86 3kkd h ARG 50 Ca 0.36 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.49 3kkd h ARG 50 Cb 0.59 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 3kkd h ARG 50 CO -0.52 -0.03 0.03 -0.25 -1.51 0.00 0.00 179.97 177.69 3kkd n ASP 51 N -2.97 4.38 -0.57 -3.80 9.92 0.54 -5.08 116.55 118.98 3kkd n ASP 51 Ca -0.01 -3.07 0.07 0.00 -0.53 0.00 0.00 54.79 51.25 3kkd n ASP 51 Cb 0.02 -0.61 -0.02 0.00 -0.64 0.00 0.00 41.12 39.87 3kkd n ASP 51 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3kkd n GLY 52 N -0.23 -2.08 0.27 0.44 0.00 -0.41 -4.05 105.19 99.14 3kkd n GLY 52 Ca 0.26 -1.37 -0.06 0.00 0.00 0.00 0.00 46.02 44.85 3kkd n GLY 52 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3kkd h VAL 53 N -0.49 1.20 0.00 1.61 3.04 -1.84 -3.27 116.25 116.50 3kkd h VAL 53 Ca 0.01 -0.50 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 3kkd h VAL 53 Cb 0.48 0.34 0.00 0.00 -2.01 0.00 0.00 31.29 30.10 3kkd h VAL 53 CO 0.00 0.22 0.00 0.03 -1.01 0.00 0.00 177.57 176.81 3kkd h ARG 54 N 0.90 0.00 -0.09 4.17 3.08 -1.95 -2.25 114.38 118.24 3kkd h ARG 54 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3kkd h ARG 54 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3kkd h ARG 54 CO -0.04 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.86 3kkd n ALA 55 N -2.07 2.55 -2.37 0.04 0.00 -1.23 -4.76 120.51 112.66 3kkd n ALA 55 Ca -0.02 -0.48 -0.39 0.00 0.00 0.00 0.00 53.44 52.56 3kkd n ALA 55 Cb 0.16 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 3kkd n ALA 55 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kkd s VAL 56 N -1.90 3.65 0.20 0.00 1.01 -0.85 -4.73 120.40 117.79 3kkd s VAL 56 Ca 0.35 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.38 3kkd s VAL 56 Cb 0.19 -4.62 -0.05 0.00 0.00 0.00 0.00 36.38 31.91 3kkd s VAL 56 CO 0.30 -1.55 -0.04 -0.13 0.00 0.00 0.00 175.10 173.68 3kkd s ARG 57 N 6.02 1.25 0.24 2.72 0.52 -1.26 -5.04 118.95 123.41 3kkd s ARG 57 Ca 0.49 -1.60 -0.06 0.00 -0.52 0.00 0.00 55.73 54.04 3kkd s ARG 57 Cb -0.07 -0.66 0.30 0.00 0.52 0.00 0.00 34.95 35.04 3kkd s ARG 57 CO 0.09 -0.02 1.89 0.45 0.02 0.00 0.00 175.30 177.72 3kkd h HIS 58 N 2.57 1.12 0.42 -0.53 3.86 -1.97 -0.93 115.15 119.69 3kkd h HIS 58 Ca -0.38 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 58.84 3kkd h HIS 58 Cb 1.21 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 29.31 3kkd h HIS 58 CO 0.61 0.64 -0.20 -0.09 0.86 0.00 0.00 177.93 179.75 3kkd h ARG 59 N 1.15 -0.54 -1.06 2.45 2.43 -1.97 0.45 114.38 117.30 3kkd h ARG 59 Ca 0.37 0.04 0.30 0.00 -0.81 0.00 0.00 59.98 59.88 3kkd h ARG 59 Cb 0.02 0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.64 3kkd h ARG 59 CO -0.13 -0.36 0.74 0.00 -1.51 0.00 0.00 179.97 178.71 3kkd h ALA 60 N -1.43 2.80 0.00 2.80 0.00 -1.86 0.37 119.26 121.95 3kkd h ALA 60 Ca -0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kkd h ALA 60 Cb 0.43 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3kkd h ALA 60 CO 0.09 -1.13 -0.01 0.28 0.00 0.00 0.00 179.25 178.48 3kkd h VAL 61 N 0.11 0.58 -0.99 0.00 2.07 -1.05 -2.06 116.25 114.91 3kkd h VAL 61 Ca 0.53 -1.44 0.18 0.00 0.82 0.00 0.00 66.70 66.78 3kkd h VAL 61 Cb 1.89 1.10 -0.10 0.00 -1.52 0.00 0.00 31.29 32.66 3kkd h VAL 61 CO -0.08 0.20 0.61 0.00 0.02 0.00 0.00 177.57 178.32 3kkd h ALA 62 N -0.68 1.72 -0.12 1.67 0.00 0.20 0.39 119.26 122.44 3kkd h ALA 62 Ca -0.00 0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3kkd h ALA 62 Cb 0.33 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 3kkd h ALA 62 CO -0.00 -0.05 -0.54 0.00 0.00 0.00 0.00 179.25 178.66 3kkd h ALA 63 N 1.62 -0.90 -0.48 0.00 0.00 -0.34 0.82 119.26 119.98 3kkd h ALA 63 Ca 0.55 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.31 3kkd h ALA 63 Cb 0.85 1.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 3kkd h ALA 63 CO -0.33 -1.09 -0.04 0.93 0.00 0.00 0.00 179.25 178.72 3kkd h GLU 64 N -0.59 0.84 0.00 0.00 4.39 0.08 -2.32 114.58 116.98 3kkd h GLU 64 Ca 0.03 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.48 3kkd h GLU 64 Cb 0.68 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 3kkd h GLU 64 CO -0.43 0.86 -0.19 0.00 -1.16 0.00 0.00 179.01 178.10 3kkd n ALA 65 N -2.48 2.73 -2.79 3.43 0.00 0.11 -4.90 120.51 116.61 3kkd n ALA 65 Ca 0.02 -0.18 -0.07 0.00 0.00 0.00 0.00 53.44 53.21 3kkd n ALA 65 Cb 0.33 -1.34 0.02 0.00 0.00 0.00 0.00 19.45 18.46 3kkd n ALA 65 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kkd n GLN 66 N -1.61 -2.41 -4.45 0.00 6.02 0.10 -4.88 117.38 110.15 3kkd n GLN 66 Ca 0.06 0.26 -0.22 0.00 -0.01 0.00 0.00 57.00 57.09 3kkd n GLN 66 Cb 0.35 -3.54 -0.09 0.00 1.02 0.00 0.00 30.24 27.98 3kkd n GLN 66 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3kkd s VAL 67 N -3.10 0.81 0.53 5.09 -7.23 -0.14 -5.02 120.40 111.33 3kkd s VAL 67 Ca 0.16 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.14 3kkd s VAL 67 Cb -0.07 -2.58 -0.07 0.00 0.56 0.00 0.00 36.38 34.22 3kkd s VAL 67 CO 0.22 0.00 1.07 -2.84 -0.31 0.00 0.00 175.10 173.24 3kkd s PRO 68 N -3.84 3.57 0.14 4.82 0.02 -1.26 -4.43 135.00 134.02 3kkd s PRO 68 Ca 0.32 1.39 -0.25 0.00 0.02 0.00 0.00 61.00 62.48 3kkd s PRO 68 Cb 0.06 -2.06 -0.04 0.00 0.02 0.00 0.00 34.50 32.48 3kkd s PRO 68 CO 0.15 -0.63 1.28 -0.11 -0.33 0.00 0.00 177.00 177.37 3kkd n LEU 69 N -1.29 -0.86 -0.01 -5.54 7.94 -1.26 -2.53 117.00 113.44 3kkd n LEU 69 Ca 0.10 1.48 -0.10 0.00 -1.11 0.00 0.00 56.01 56.38 3kkd n LEU 69 Cb 0.52 -0.20 -0.04 0.00 0.53 0.00 0.00 43.42 44.24 3kkd n LEU 69 CO 0.42 -1.22 0.66 0.77 -1.11 0.00 0.00 177.39 176.91 3kkd h SER 70 N 0.00 -0.96 -0.80 1.96 4.64 -1.96 0.59 113.55 117.01 3kkd h SER 70 Ca 0.14 0.15 0.30 0.00 -0.47 0.00 0.00 61.79 61.91 3kkd h SER 70 Cb 0.35 0.42 -0.15 0.00 -0.31 0.00 0.00 62.40 62.71 3kkd h SER 70 CO -0.79 -0.34 0.31 0.00 -0.87 0.00 0.00 176.83 175.14 3kkd n ALA 71 N -2.84 0.70 -1.16 5.18 0.00 -1.05 -5.22 120.51 116.13 3kkd n ALA 71 Ca -0.02 0.83 0.00 0.00 0.00 0.00 0.00 53.44 54.25 3kkd n ALA 71 Cb 0.32 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.01 3kkd n ALA 71 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kkd n THR 72 N -4.92 0.00 -1.26 0.00 -2.24 0.21 -5.04 114.28 101.03 3kkd n THR 72 Ca 0.27 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.96 3kkd n THR 72 Cb 0.91 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 69.11 3kkd n THR 72 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3kkd n ASP 78 N 0.00 -4.61 -0.26 3.42 8.00 -1.26 -5.04 116.55 116.81 3kkd n ASP 78 Ca 0.00 0.22 0.16 0.00 0.71 0.00 0.00 54.79 55.88 3kkd n ASP 78 Cb 0.00 -2.88 0.45 0.00 -0.02 0.00 0.00 41.12 38.67 3kkd n ASP 78 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3kkd h ILE 79 N 0.00 0.73 0.00 0.53 6.09 -2.00 0.83 117.51 123.69 3kkd h ILE 79 Ca -0.18 -0.18 -0.03 0.00 -1.37 0.00 0.00 64.86 63.10 3kkd h ILE 79 Cb 0.76 0.15 -0.00 0.00 0.47 0.00 0.00 36.82 38.20 3kkd h ILE 79 CO 0.26 0.10 -0.14 0.44 -3.07 0.00 0.00 178.15 175.74 3kkd h ASP 80 N 0.53 0.00 -0.29 2.19 3.32 -1.99 -1.34 116.42 118.84 3kkd h ASP 80 Ca 0.47 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.35 3kkd h ASP 80 Cb 1.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.55 3kkd h ASP 80 CO -0.21 0.14 -0.51 0.44 -1.72 0.00 0.00 179.24 177.39 3kkd h ASP 81 N 0.00 0.96 0.04 6.45 3.45 -1.27 -2.13 116.42 123.91 3kkd h ASP 81 Ca -0.00 -0.49 -0.00 0.00 0.43 0.00 0.00 57.03 56.96 3kkd h ASP 81 Cb 0.52 -0.27 0.00 0.00 -0.56 0.00 0.00 39.33 39.02 3kkd h ASP 81 CO 0.02 1.29 -0.02 0.25 -1.57 0.00 0.00 179.24 179.21 3kkd h LEU 82 N 0.68 -0.04 -0.07 1.55 5.85 -1.03 -0.57 115.31 121.67 3kkd h LEU 82 Ca 0.03 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.71 3kkd h LEU 82 Cb 1.11 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.10 3kkd h LEU 82 CO 0.11 0.05 -0.24 0.40 -0.34 0.00 0.00 178.44 178.43 3kkd h ILE 83 N -0.13 0.44 -0.49 4.05 2.04 -1.35 0.64 117.51 122.70 3kkd h ILE 83 Ca -0.01 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 3kkd h ILE 83 Cb 0.12 0.44 -0.06 0.00 -0.74 0.00 0.00 36.82 36.57 3kkd h ILE 83 CO 0.01 0.00 0.13 0.74 0.00 0.00 0.00 178.15 179.03 3kkd h THR 84 N -0.33 0.78 -0.44 -0.27 2.02 -1.30 -1.52 112.91 111.85 3kkd h THR 84 Ca 0.08 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 3kkd h THR 84 Cb 0.45 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 3kkd h THR 84 CO -0.26 0.05 0.21 0.44 0.37 0.00 0.00 175.52 176.33 3kkd h ASP 85 N 0.29 0.58 0.00 4.18 3.32 -0.77 0.24 116.42 124.25 3kkd h ASP 85 Ca 0.24 -0.13 0.03 0.00 0.02 0.00 0.00 57.03 57.19 3kkd h ASP 85 Cb 0.29 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.65 3kkd h ASP 85 CO -0.28 0.54 -0.27 0.74 -1.72 0.00 0.00 179.24 178.25 3kkd h THR 86 N 0.57 0.40 0.00 0.35 2.02 -0.46 -0.64 112.91 115.15 3kkd h THR 86 Ca 0.15 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.28 3kkd h THR 86 Cb 0.12 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 3kkd h THR 86 CO -0.02 0.00 -0.24 -0.26 0.37 0.00 0.00 175.52 175.37 3kkd h PHE 87 N -0.41 0.00 -0.66 3.16 0.04 -1.16 -1.38 116.94 116.53 3kkd h PHE 87 Ca 0.06 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.81 3kkd h PHE 87 Cb 0.49 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.61 3kkd h PHE 87 CO -0.30 0.24 0.33 0.00 -0.60 0.00 0.00 178.31 177.98 3kkd h ALA 88 N 1.76 0.85 -0.59 2.45 0.00 0.08 -2.34 119.26 121.48 3kkd h ALA 88 Ca -0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3kkd h ALA 88 Cb 0.65 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3kkd h ALA 88 CO 0.03 0.40 0.20 1.25 0.00 0.00 0.00 179.25 181.14 3kkd h LEU 89 N 0.91 0.85 0.52 0.00 5.85 -0.35 -1.00 115.31 122.09 3kkd h LEU 89 Ca 0.23 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 3kkd h LEU 89 Cb 0.10 -0.22 0.01 0.00 0.37 0.00 0.00 40.66 40.91 3kkd h LEU 89 CO -0.03 0.82 -0.25 -0.26 -0.34 0.00 0.00 178.44 178.38 3kkd h PHE 90 N 0.83 -0.64 -0.82 1.25 -1.00 -1.22 -0.80 116.94 114.55 3kkd h PHE 90 Ca 0.19 -0.02 0.20 0.00 2.81 0.00 0.00 57.97 61.15 3kkd h PHE 90 Cb 0.26 0.21 -0.14 0.00 3.61 0.00 0.00 35.95 39.89 3kkd h PHE 90 CO 0.02 -0.35 0.04 0.28 -1.61 0.00 0.00 178.31 176.69 3kkd h VAL 91 N -0.82 0.28 -0.60 -0.55 2.07 -1.43 -1.37 116.25 113.83 3kkd h VAL 91 Ca -0.07 -0.04 -0.09 0.00 0.82 0.00 0.00 66.70 67.33 3kkd h VAL 91 Cb 0.59 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 3kkd h VAL 91 CO 0.12 0.02 0.04 -0.08 0.02 0.00 0.00 177.57 177.68 3kkd h GLU 92 N 0.11 1.04 -0.47 1.57 4.81 -0.76 -0.52 114.58 120.35 3kkd h GLU 92 Ca 0.46 -0.31 -0.12 0.00 -0.13 0.00 0.00 59.36 59.26 3kkd h GLU 92 Cb 0.86 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 3kkd h GLU 92 CO -0.71 1.00 -0.19 0.00 -0.73 0.00 0.00 179.01 178.38 3kkd h ARG 93 N 0.93 0.94 -0.30 1.92 3.08 -0.74 0.65 114.38 120.86 3kkd h ARG 93 Ca 0.17 -0.38 -0.17 0.00 0.07 0.00 0.00 59.98 59.68 3kkd h ARG 93 Cb 0.51 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 3kkd h ARG 93 CO 0.02 1.04 -0.48 -0.91 -1.07 0.00 0.00 179.97 178.57 3kkd h ASN 94 N 0.82 0.89 -0.39 7.04 4.21 -1.16 0.27 115.58 127.25 3kkd h ASN 94 Ca 0.11 -0.45 -0.00 0.00 1.21 0.00 0.00 56.30 57.18 3kkd h ASN 94 Cb 0.75 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 37.68 3kkd h ASN 94 CO 0.06 1.22 0.24 0.00 -1.29 0.00 0.00 177.43 177.66 3kkd h ALA 95 N 0.81 0.50 -0.42 -0.83 0.00 -0.98 -1.49 119.26 116.84 3kkd h ALA 95 Ca 0.03 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 3kkd h ALA 95 Cb 1.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3kkd h ALA 95 CO 0.11 -0.01 -0.23 0.93 0.00 0.00 0.00 179.25 180.05 3kkd h GLU 96 N 0.52 0.86 -0.25 0.00 5.08 -0.77 -0.20 114.58 119.81 3kkd h GLU 96 Ca 0.14 -0.36 -0.12 0.00 -1.00 0.00 0.00 59.36 58.03 3kkd h GLU 96 Cb -0.01 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3kkd h GLU 96 CO -0.03 1.00 -0.34 0.00 -1.00 0.00 0.00 179.01 178.64 3kkd h ALA 97 N 1.00 0.94 -0.46 3.43 0.00 -0.85 -1.08 119.26 122.24 3kkd h ALA 97 Ca 0.10 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 3kkd h ALA 97 Cb 0.76 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3kkd h ALA 97 CO 0.06 0.62 -0.24 1.25 0.00 0.00 0.00 179.25 180.93 3kkd h LEU 98 N 0.46 0.99 -0.19 0.00 5.85 -1.16 0.94 115.31 122.20 3kkd h LEU 98 Ca 0.05 -0.39 0.02 0.00 0.84 0.00 0.00 57.88 58.41 3kkd h LEU 98 Cb 0.81 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 3kkd h LEU 98 CO 0.07 1.18 0.04 0.28 -0.34 0.00 0.00 178.44 179.67 3kkd h SER 99 N 0.82 0.01 -0.86 1.25 0.02 -0.78 -0.73 113.55 113.29 3kkd h SER 99 Ca 0.10 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.14 3kkd h SER 99 Cb 0.82 0.04 -0.06 0.00 0.14 0.00 0.00 62.40 63.33 3kkd h SER 99 CO 0.07 0.04 0.53 0.00 -1.14 0.00 0.00 176.83 176.33 3kkd h ALA 100 N 1.14 1.19 0.06 3.77 0.00 -1.04 -0.08 119.26 124.30 3kkd h ALA 100 Ca 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kkd h ALA 100 Cb 0.08 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3kkd h ALA 100 CO -0.11 0.27 -0.04 0.35 0.00 0.00 0.00 179.25 179.72 3kkd h PHE 101 N 0.97 -0.10 -0.67 0.00 3.57 -0.23 -0.23 116.94 120.25 3kkd h PHE 101 Ca 0.38 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.83 3kkd h PHE 101 Cb 0.19 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 3kkd h PHE 101 CO -0.03 -0.06 0.22 -1.49 -2.23 0.00 0.00 178.31 174.72 3kkd h TRP 102 N -0.10 1.07 -0.70 0.41 4.06 -0.85 -2.45 115.95 117.39 3kkd h TRP 102 Ca -0.00 -0.10 0.06 0.00 2.06 0.00 0.00 58.89 60.90 3kkd h TRP 102 Cb 0.08 -0.31 -0.05 0.00 -1.00 0.00 0.00 29.16 27.88 3kkd h TRP 102 CO -0.08 0.86 0.40 1.03 -3.56 0.00 0.00 178.44 177.09 3kkd h SER 103 N 0.97 0.62 0.18 -3.49 0.87 -0.82 -1.78 113.55 110.10 3kkd h SER 103 Ca 0.22 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.80 3kkd h SER 103 Cb 0.28 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 3kkd h SER 103 CO -0.01 0.40 -0.02 0.77 -0.53 0.00 0.00 176.83 177.44 3kkd h SER 104 N 0.75 0.00 -0.08 6.23 4.64 -0.57 -3.04 113.55 121.48 3kkd h SER 104 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3kkd h SER 104 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3kkd h SER 104 CO -0.17 0.02 0.00 1.33 -0.87 0.00 0.00 176.83 177.14 3kkd n VAL 105 N -3.37 0.15 -0.28 0.95 0.24 -0.79 -4.63 118.33 110.60 3kkd n VAL 105 Ca -0.02 -0.58 0.09 0.00 -2.04 0.00 0.00 64.34 61.79 3kkd n VAL 105 Cb 0.13 1.18 0.23 0.00 -1.47 0.00 0.00 33.84 33.91 3kkd n VAL 105 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3kkd h GLU 106 N 2.79 0.35 -0.44 7.34 4.81 -1.22 0.12 114.58 128.32 3kkd h GLU 106 Ca 0.00 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.08 3kkd h GLU 106 Cb 0.63 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 3kkd h GLU 106 CO 0.00 0.23 -0.24 0.78 -0.73 0.00 0.00 179.01 179.05 3kkd h GLY 107 N 0.36 1.03 1.01 1.92 0.00 -1.82 -0.42 103.07 105.16 3kkd h GLY 107 Ca 0.48 -0.94 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 3kkd h GLY 107 CO -0.50 0.85 0.24 -0.55 0.00 0.00 0.00 176.54 176.59 3kkd h ASP 108 N 0.79 0.91 -0.54 0.19 3.32 -1.51 0.64 116.42 120.21 3kkd h ASP 108 Ca 0.10 -0.18 -0.07 0.00 0.02 0.00 0.00 57.03 56.89 3kkd h ASP 108 Cb 0.82 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 3kkd h ASP 108 CO 0.07 0.84 0.06 0.25 -1.72 0.00 0.00 179.24 178.74 3kkd h LEU 109 N 0.92 0.89 -0.46 1.55 5.85 -0.50 -2.41 115.31 121.15 3kkd h LEU 109 Ca 0.21 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.70 3kkd h LEU 109 Cb 0.23 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 3kkd h LEU 109 CO -0.01 0.95 0.22 -0.61 -0.34 0.00 0.00 178.44 178.65 3kkd h GLN 110 N 0.81 0.43 -1.67 1.25 4.15 -0.59 -1.14 115.11 118.34 3kkd h GLN 110 Ca 0.16 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.56 3kkd h GLN 110 Cb 0.46 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.05 3kkd h GLN 110 CO 0.02 0.28 0.00 -1.91 -1.93 0.00 0.00 178.83 175.29 3kkd n GLU 111 N -4.92 0.37 0.00 1.69 2.13 0.17 -2.51 120.64 117.58 3kkd n GLU 111 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 3kkd n GLU 111 Cb 0.13 -1.31 0.00 0.00 0.27 0.00 0.00 31.44 30.53 3kkd n GLU 111 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3kkd n ALA 113 N 0.94 0.00 -0.07 4.31 0.00 -0.43 -1.12 120.51 124.13 3kkd n ALA 113 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3kkd n ALA 113 Cb 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.58 3kkd n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kkd h ALA 114 N 0.00 0.30 -0.69 0.00 0.00 -1.76 -2.03 119.26 115.07 3kkd h ALA 114 Ca 0.00 -0.26 0.12 0.00 0.00 0.00 0.00 54.91 54.77 3kkd h ALA 114 Cb 0.00 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.63 3kkd h ALA 114 CO 0.00 0.08 0.28 0.28 0.00 0.00 0.00 179.25 179.89 3kkd h VAL 115 N 0.15 0.72 -0.07 0.00 2.07 -1.42 -1.88 116.25 115.83 3kkd h VAL 115 Ca 0.06 -0.15 -0.09 0.00 0.82 0.00 0.00 66.70 67.33 3kkd h VAL 115 Cb 0.50 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3kkd h VAL 115 CO 0.02 0.08 -0.39 -0.07 0.02 0.00 0.00 177.57 177.23 3kkd h LEU 116 N 0.45 0.15 -0.28 2.57 3.38 -1.71 -0.13 115.31 119.74 3kkd h LEU 116 Ca 0.37 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 58.16 3kkd h LEU 116 Cb 0.50 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3kkd h LEU 116 CO -0.35 0.53 -0.27 0.00 0.09 0.00 0.00 178.44 178.43 3kkd h ALA 117 N 1.48 0.41 -0.24 1.53 0.00 -0.77 -2.74 119.26 118.93 3kkd h ALA 117 Ca 0.01 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 54.38 3kkd h ALA 117 Cb 0.75 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3kkd h ALA 117 CO 0.06 0.41 -0.46 -0.44 0.00 0.00 0.00 179.25 178.82 3kkd h ASP 118 N 0.42 0.67 -2.31 0.00 3.32 -1.27 -3.42 116.42 113.83 3kkd h ASP 118 Ca 0.05 -0.32 -0.49 0.00 0.02 0.00 0.00 57.03 56.28 3kkd h ASP 118 Cb 0.84 -0.19 -0.36 0.00 0.22 0.00 0.00 39.33 39.84 3kkd h ASP 118 CO 0.07 1.03 -0.78 -0.62 -1.72 0.00 0.00 179.24 177.22 3kkd s ASP 119 N -6.88 2.20 0.53 6.45 2.15 -0.07 -4.99 116.67 116.06 3kkd s ASP 119 Ca -0.08 -1.90 0.24 0.00 0.43 0.00 0.00 52.55 51.24 3kkd s ASP 119 Cb 0.12 0.02 1.38 0.00 -0.30 0.00 0.00 42.92 44.14 3kkd s ASP 119 CO 0.84 -0.29 2.02 -0.65 -0.17 0.00 0.00 175.17 176.92 3kkd h PRO 120 N 7.07 0.00 0.00 4.34 0.11 -1.73 -1.96 132.00 139.83 3kkd h PRO 120 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3kkd h PRO 120 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3kkd h PRO 120 CO 0.24 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.44 3kkd n GLY 121 N -1.62 -0.45 0.16 -0.55 0.00 -1.26 -2.79 105.19 98.68 3kkd n GLY 121 Ca 0.08 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.19 3kkd n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kkd n ALA 122 N -1.19 2.64 -0.16 4.61 0.00 -0.74 -4.26 120.51 121.42 3kkd n ALA 122 Ca 0.05 -0.27 -0.03 0.00 0.00 0.00 0.00 53.44 53.19 3kkd n ALA 122 Cb 0.05 -1.37 0.05 0.00 0.00 0.00 0.00 19.45 18.18 3kkd n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kkd h ARG 123 N 0.75 0.05 -0.53 0.00 3.08 -1.76 0.30 114.38 116.28 3kkd h ARG 123 Ca 0.00 -0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.13 3kkd h ARG 123 Cb 0.16 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.13 3kkd h ARG 123 CO 0.00 0.03 0.14 0.78 -1.07 0.00 0.00 179.97 179.86 3kkd h GLY 124 N 0.05 0.68 0.92 0.04 0.00 -1.89 -1.02 103.07 101.85 3kkd h GLY 124 Ca 0.24 -0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 3kkd h GLY 124 CO -0.46 -0.05 0.03 1.76 0.00 0.00 0.00 176.54 177.82 3kkd h SER 125 N 0.29 0.07 -0.59 0.19 0.02 -1.66 -2.92 113.55 108.95 3kkd h SER 125 Ca 0.27 -0.09 0.09 0.00 -0.84 0.00 0.00 61.79 61.22 3kkd h SER 125 Cb 0.34 -0.02 -0.07 0.00 0.14 0.00 0.00 62.40 62.79 3kkd h SER 125 CO -0.31 0.13 0.23 -0.07 -1.14 0.00 0.00 176.83 175.67 3kkd h LEU 126 N -0.00 0.23 -2.01 5.07 4.07 -0.32 -2.43 115.31 119.92 3kkd h LEU 126 Ca 0.02 0.07 0.02 0.00 0.08 0.00 0.00 57.88 58.07 3kkd h LEU 126 Cb 0.08 0.05 -0.00 0.00 1.08 0.00 0.00 40.66 41.87 3kkd h LEU 126 CO -0.00 0.14 0.05 0.58 -1.08 0.00 0.00 178.44 178.13 3kkd h VAL 127 N 0.41 0.95 -0.26 1.22 2.07 -1.02 0.02 116.25 119.65 3kkd h VAL 127 Ca 0.29 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.80 3kkd h VAL 127 Cb 0.35 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3kkd h VAL 127 CO -0.29 0.00 0.10 -0.33 0.02 0.00 0.00 177.57 177.07 3kkd h GLU 128 N 0.00 0.39 -0.10 1.57 4.39 -1.34 -1.21 114.58 118.27 3kkd h GLU 128 Ca 0.03 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 3kkd h GLU 128 Cb 0.13 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 3kkd h GLU 128 CO -0.00 0.43 0.04 -0.09 -1.16 0.00 0.00 179.01 178.23 3kkd h ARG 129 N 0.26 0.15 -0.80 2.33 9.65 -1.16 -2.92 114.38 121.89 3kkd h ARG 129 Ca 0.08 -0.03 0.02 0.00 -1.10 0.00 0.00 59.98 58.96 3kkd h ARG 129 Cb 0.19 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.70 3kkd h ARG 129 CO -0.01 0.25 0.52 0.82 2.80 0.00 0.00 179.97 184.35 3kkd h ILE 130 N 0.01 1.15 -0.45 1.20 2.04 -0.85 -2.20 117.51 118.42 3kkd h ILE 130 Ca 0.03 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 3kkd h ILE 130 Cb 0.16 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.26 3kkd h ILE 130 CO -0.00 0.19 0.10 0.58 0.00 0.00 0.00 178.15 179.02 3kkd h VAL 131 N 1.02 1.24 -0.64 1.67 2.07 -1.22 -0.71 116.25 119.69 3kkd h VAL 131 Ca 0.31 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 3kkd h VAL 131 Cb -0.04 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3kkd h VAL 131 CO -0.09 0.29 0.33 -0.33 0.02 0.00 0.00 177.57 177.78 3kkd h GLU 132 N 0.59 0.90 -0.74 1.57 4.39 -1.30 -1.37 114.58 118.62 3kkd h GLU 132 Ca 0.14 -0.12 -0.06 0.00 0.34 0.00 0.00 59.36 59.66 3kkd h GLU 132 Cb 0.33 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 3kkd h GLU 132 CO 0.00 0.70 0.23 -0.07 -1.16 0.00 0.00 179.01 178.72 3kkd h LEU 133 N 0.87 1.07 0.15 1.33 3.38 -1.16 -1.98 115.31 118.98 3kkd h LEU 133 Ca 0.22 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3kkd h LEU 133 Cb 0.08 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.55 3kkd h LEU 133 CO -0.03 0.99 -0.07 0.00 0.09 0.00 0.00 178.44 179.42 3kkd h ALA 134 N 1.15 -0.21 -0.65 1.53 0.00 -0.74 -1.69 119.26 118.65 3kkd h ALA 134 Ca 0.24 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3kkd h ALA 134 Cb 0.30 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3kkd h ALA 134 CO -0.01 -0.45 0.32 0.28 0.00 0.00 0.00 179.25 179.39 3kkd h VAL 135 N -0.53 1.21 -0.83 0.00 2.07 -1.24 -1.24 116.25 115.69 3kkd h VAL 135 Ca -0.02 -0.58 0.05 0.00 0.82 0.00 0.00 66.70 66.97 3kkd h VAL 135 Cb 0.41 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 3kkd h VAL 135 CO 0.03 0.25 0.52 -0.61 0.02 0.00 0.00 177.57 177.78 3kkd h GLN 136 N 0.92 0.94 0.09 1.57 4.15 -1.29 0.73 115.11 122.22 3kkd h GLN 136 Ca 0.23 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.60 3kkd h GLN 136 Cb 0.09 -0.21 -0.04 0.00 0.21 0.00 0.00 27.48 27.52 3kkd h GLN 136 CO -0.03 0.62 -0.48 -0.92 -1.93 0.00 0.00 178.83 176.09 3kkd h TYR 137 N 0.97 -1.40 -0.74 3.99 3.20 -0.28 -1.63 116.97 121.07 3kkd h TYR 137 Ca 0.35 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.26 3kkd h TYR 137 Cb 0.12 0.60 -0.04 0.00 1.54 0.00 0.00 36.73 38.95 3kkd h TYR 137 CO -0.03 -0.54 0.46 0.28 -1.64 0.00 0.00 178.16 176.69 3kkd h VAL 138 N -0.68 1.20 -0.42 1.81 2.07 -1.02 -1.25 116.25 117.97 3kkd h VAL 138 Ca -0.00 -0.42 0.06 0.00 0.82 0.00 0.00 66.70 67.16 3kkd h VAL 138 Cb 0.69 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 3kkd h VAL 138 CO -0.27 0.21 0.11 1.56 0.02 0.00 0.00 177.57 179.19 3kkd h GLN 139 N 1.01 0.24 -0.27 1.57 4.20 -0.80 -0.71 115.11 120.36 3kkd h GLN 139 Ca 0.27 -0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.83 3kkd h GLN 139 Cb -0.06 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 3kkd h GLN 139 CO -0.05 0.16 -0.38 0.28 -0.67 0.00 0.00 178.83 178.17 3kkd h VAL 140 N 0.25 1.29 -0.74 -0.54 2.07 -0.50 -1.69 116.25 116.39 3kkd h VAL 140 Ca 0.20 -1.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.19 3kkd h VAL 140 Cb 0.23 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 3kkd h VAL 140 CO -0.24 0.49 0.45 1.56 0.02 0.00 0.00 177.57 179.85 3kkd h GLN 141 N 0.51 1.00 -0.00 1.57 1.08 -0.83 -1.19 115.11 117.25 3kkd h GLN 141 Ca 0.05 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 3kkd h GLN 141 Cb 0.88 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 28.10 3kkd h GLN 141 CO 0.08 0.70 -0.34 1.28 -0.95 0.00 0.00 178.83 179.59 3kkd n LEU 142 N -4.39 0.60 0.00 1.46 4.77 -0.31 -2.28 117.00 116.85 3kkd n LEU 142 Ca 0.08 -0.03 -0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3kkd n LEU 142 Cb 0.06 -0.23 -0.00 0.00 -2.33 0.00 0.00 43.42 40.92 3kkd n LEU 142 CO 0.37 0.13 -0.01 0.35 -1.33 0.00 0.00 177.39 176.89 3kkd n THR 143 N -1.20 0.16 -0.35 -5.08 -2.24 -0.78 -4.49 114.28 100.31 3kkd n THR 143 Ca 0.09 0.12 -0.03 0.00 -2.27 0.00 0.00 64.05 61.96 3kkd n THR 143 Cb 0.33 -1.17 0.10 0.00 -2.10 0.00 0.00 70.33 67.50 3kkd n THR 143 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3kkd h GLU 144 N -0.02 1.27 -0.21 -0.78 5.08 -1.44 -3.28 114.58 115.20 3kkd h GLU 144 Ca 0.00 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 3kkd h GLU 144 Cb 0.02 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 28.97 3kkd h GLU 144 CO 0.00 0.90 -0.09 0.54 -1.00 0.00 0.00 179.01 179.35 3kkd n ARG 145 N -4.35 2.02 -0.26 2.33 1.74 -1.06 -4.82 116.66 112.26 3kkd n ARG 145 Ca 0.10 -2.98 0.06 0.00 -0.77 0.00 0.00 57.85 54.26 3kkd n ARG 145 Cb 0.07 -1.74 0.17 0.00 -1.02 0.00 0.00 32.46 29.93 3kkd n ARG 145 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3kkd h ARG 146 N 1.05 0.13 -0.30 5.56 2.43 -1.52 -1.43 114.38 120.30 3kkd h ARG 146 Ca 0.09 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.11 3kkd h ARG 146 Cb 1.39 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.90 3kkd h ARG 146 CO 0.22 0.09 -0.34 0.93 -1.51 0.00 0.00 179.97 179.35 3kkd h GLU 147 N 0.14 0.77 -0.61 0.20 5.08 -1.89 0.10 114.58 118.38 3kkd h GLU 147 Ca 0.42 -0.42 0.08 0.00 -1.00 0.00 0.00 59.36 58.43 3kkd h GLU 147 Cb 0.74 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.95 3kkd h GLU 147 CO -0.63 1.05 0.28 0.45 -1.00 0.00 0.00 179.01 179.16 3kkd h HIS 148 N 0.53 0.49 -0.70 4.33 3.86 -1.86 0.25 115.15 122.05 3kkd h HIS 148 Ca 0.04 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.23 3kkd h HIS 148 Cb 0.93 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 29.24 3kkd h HIS 148 CO 0.07 0.18 0.24 -0.07 0.86 0.00 0.00 177.93 179.22 3kkd h LEU 149 N 0.50 1.01 -1.01 2.43 4.07 -0.96 -1.47 115.31 119.87 3kkd h LEU 149 Ca 0.29 -0.20 0.01 0.00 0.08 0.00 0.00 57.88 58.06 3kkd h LEU 149 Cb 0.29 -0.26 -0.05 0.00 1.08 0.00 0.00 40.66 41.72 3kkd h LEU 149 CO -0.25 0.93 0.64 -0.07 -1.08 0.00 0.00 178.44 178.62 3kkd h LEU 150 N 1.03 1.14 -0.89 1.67 3.38 -0.35 -0.79 115.31 120.50 3kkd h LEU 150 Ca 0.23 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 3kkd h LEU 150 Cb 0.27 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3kkd h LEU 150 CO -0.01 0.83 -0.30 0.00 0.09 0.00 0.00 178.44 179.05 3kkd h ALA 151 N 1.37 1.05 -0.70 1.53 0.00 -0.27 -2.19 119.26 120.05 3kkd h ALA 151 Ca 0.36 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3kkd h ALA 151 Cb -0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3kkd h ALA 151 CO -0.08 0.58 0.27 1.49 0.00 0.00 0.00 179.25 181.51 3kkd h GLU 152 N 0.41 1.04 -0.64 0.00 4.81 -0.63 -1.47 114.58 118.09 3kkd h GLU 152 Ca 0.05 -0.18 -0.06 0.00 -0.13 0.00 0.00 59.36 59.04 3kkd h GLU 152 Cb 0.73 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 3kkd h GLU 152 CO 0.06 0.85 0.16 1.96 -0.73 0.00 0.00 179.01 181.31 3kkd h GLN 153 N 1.02 1.00 -0.53 1.92 1.08 -1.00 -1.51 115.11 117.09 3kkd h GLN 153 Ca 0.23 -0.22 -0.11 0.00 -1.45 0.00 0.00 58.65 57.10 3kkd h GLN 153 Cb 0.21 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 3kkd h GLN 153 CO -0.02 0.89 -0.10 0.00 -0.95 0.00 0.00 178.83 178.64 3kkd h ALA 154 N 1.21 0.72 -0.10 3.87 0.00 -1.08 -2.37 119.26 121.52 3kkd h ALA 154 Ca 0.21 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3kkd h ALA 154 Cb 0.33 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3kkd h ALA 154 CO -0.00 0.63 0.06 0.35 0.00 0.00 0.00 179.25 180.29 3kkd h PHE 155 N 0.87 0.12 -0.23 0.00 3.57 -1.15 -0.07 116.94 120.05 3kkd h PHE 155 Ca 0.14 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.66 3kkd h PHE 155 Cb 0.67 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.34 3kkd h PHE 155 CO 0.05 0.08 0.07 0.00 -2.23 0.00 0.00 178.31 176.28 3kkd h ARG 156 N 0.13 0.17 -0.98 1.11 3.08 -1.25 0.04 114.38 116.68 3kkd h ARG 156 Ca 0.04 -0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.20 3kkd h ARG 156 Cb -0.01 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 29.92 3kkd h ARG 156 CO -0.01 0.11 0.62 0.37 -1.07 0.00 0.00 179.97 179.99 3kkd h GLN 157 N 0.17 0.90 -0.11 0.04 4.15 -1.21 -3.06 115.11 116.00 3kkd h GLN 157 Ca 0.10 -0.05 -0.23 0.00 0.77 0.00 0.00 58.65 59.24 3kkd h GLN 157 Cb 0.08 -0.20 0.01 0.00 0.21 0.00 0.00 27.48 27.57 3kkd h GLN 157 CO -0.11 0.59 -0.83 0.93 -1.93 0.00 0.00 178.83 177.48 3kkd h GLU 158 N 0.92 0.69 -0.86 1.69 4.39 0.14 -3.30 114.58 118.26 3kkd h GLU 158 Ca 0.49 -0.61 0.14 0.00 0.34 0.00 0.00 59.36 59.72 3kkd h GLU 158 Cb 0.54 0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 29.27 3kkd h GLU 158 CO -0.25 1.21 0.56 0.00 -1.16 0.00 0.00 179.01 179.37 3kkd h ALA 159 N 0.60 1.88 -0.64 3.43 0.00 -0.92 -0.22 119.26 123.39 3kkd h ALA 159 Ca -0.06 0.01 0.12 0.00 0.00 0.00 0.00 54.91 54.97 3kkd h ALA 159 Cb 1.45 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 19.04 3kkd h ALA 159 CO 0.16 -0.11 0.18 -0.07 0.00 0.00 0.00 179.25 179.42 3kkd h LEU 160 N 0.64 0.09 0.00 0.00 3.38 -1.64 -3.17 115.31 114.61 3kkd h LEU 160 Ca 0.42 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.50 3kkd h LEU 160 Cb 0.72 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3kkd h LEU 160 CO -0.18 0.04 -0.86 0.18 0.09 0.00 0.00 178.44 177.71 3kkd n LEU 161 N -5.08 0.70 -4.11 1.67 4.77 -0.12 -4.82 117.00 110.00 3kkd n LEU 161 Ca 0.10 0.18 -0.33 0.00 -0.03 0.00 0.00 56.01 55.93 3kkd n LEU 161 Cb 0.34 -0.12 -0.15 0.00 -2.33 0.00 0.00 43.42 41.16 3kkd n LEU 161 CO 0.18 -0.06 -0.43 0.21 -1.33 0.00 0.00 177.39 175.95 3kkd s ASN 162 N -4.45 4.45 0.39 -1.43 2.47 -1.05 -4.97 114.94 110.35 3kkd s ASN 162 Ca 0.03 -1.26 0.12 0.00 0.42 0.00 0.00 52.86 52.18 3kkd s ASN 162 Cb 0.13 -1.60 0.79 0.00 -1.45 0.00 0.00 41.25 39.12 3kkd s ASN 162 CO 0.77 -0.19 1.88 1.55 -3.72 0.00 0.00 177.10 177.38 3kkd h PRO 163 N 7.86 0.04 -0.05 0.43 0.13 -1.88 -1.75 132.00 136.79 3kkd h PRO 163 Ca -0.23 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 64.90 3kkd h PRO 163 Cb 1.06 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 3kkd h PRO 163 CO 0.50 0.33 0.07 0.00 -0.23 0.00 0.00 178.00 178.68 3kkd h ARG 164 N 0.04 0.00 -0.01 0.86 3.08 -1.94 -2.67 114.38 113.75 3kkd h ARG 164 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kkd h ARG 164 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 3kkd h ARG 164 CO 0.04 0.00 -0.81 1.28 -1.07 0.00 0.00 179.97 179.41 3kkd n LEU 165 N -3.71 1.38 -0.12 3.04 4.77 -0.67 -4.46 117.00 117.24 3kkd n LEU 165 Ca -0.02 -0.60 -0.04 0.00 -0.03 0.00 0.00 56.01 55.33 3kkd n LEU 165 Cb 0.16 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.42 3kkd n LEU 165 CO 0.26 0.30 0.92 0.03 -1.33 0.00 0.00 177.39 177.57 3kkd h ARG 166 N 0.89 0.81 -0.08 3.23 3.08 -1.37 -1.40 114.38 119.54 3kkd h ARG 166 Ca 0.00 -0.19 0.01 0.00 0.07 0.00 0.00 59.98 59.87 3kkd h ARG 166 Cb 0.59 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 3kkd h ARG 166 CO 0.00 0.78 -0.15 0.93 -1.07 0.00 0.00 179.97 180.46 3kkd h GLU 167 N 0.76 -0.13 -0.84 0.04 4.39 -1.78 -1.74 114.58 115.28 3kkd h GLU 167 Ca 0.16 0.01 0.21 0.00 0.34 0.00 0.00 59.36 60.08 3kkd h GLU 167 Cb 0.39 0.03 -0.13 0.00 -0.10 0.00 0.00 28.75 28.94 3kkd h GLU 167 CO 0.01 -0.08 0.25 -0.07 -1.16 0.00 0.00 179.01 177.96 3kkd h LEU 168 N -0.13 0.07 -1.13 1.33 3.38 -1.80 -1.67 115.31 115.36 3kkd h LEU 168 Ca 0.01 0.17 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 3kkd h LEU 168 Cb 0.17 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3kkd h LEU 168 CO -0.14 -0.09 -0.29 0.00 0.09 0.00 0.00 178.44 178.01 3kkd h ALA 169 N 1.72 1.27 0.11 1.53 0.00 -0.86 0.17 119.26 123.21 3kkd h ALA 169 Ca 0.52 -0.32 -0.27 0.00 0.00 0.00 0.00 54.91 54.83 3kkd h ALA 169 Cb 0.99 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.70 3kkd h ALA 169 CO -0.59 0.49 -1.20 -0.44 0.00 0.00 0.00 179.25 177.51 3kkd h ASP 170 N 0.22 0.59 -0.65 0.00 3.45 -0.78 -0.73 116.42 118.52 3kkd h ASP 170 Ca 0.03 -0.57 0.14 0.00 0.43 0.00 0.00 57.03 57.06 3kkd h ASP 170 Cb 0.62 -0.19 -0.11 0.00 -0.56 0.00 0.00 39.33 39.10 3kkd h ASP 170 CO 0.05 1.42 0.03 0.00 -1.57 0.00 0.00 179.24 179.16 3kkd h ALA 171 N 0.51 0.68 0.00 3.45 0.00 -0.75 -2.16 119.26 120.99 3kkd h ALA 171 Ca -0.15 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kkd h ALA 171 Cb 1.89 0.32 0.00 0.00 0.00 0.00 0.00 17.79 20.00 3kkd h ALA 171 CO 0.21 -0.39 -0.00 1.25 0.00 0.00 0.00 179.25 180.32 3kkd h HIS 172 N 0.14 -0.00 -0.01 0.00 -0.00 -0.53 -1.35 115.15 113.40 3kkd h HIS 172 Ca 0.35 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.69 3kkd h HIS 172 Cb 0.57 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.98 3kkd h HIS 172 CO -0.36 0.50 -0.12 1.96 -0.00 0.00 0.00 177.93 179.91 3kkd h GLN 173 N -0.50 0.02 -0.34 5.26 1.08 -1.08 -1.77 115.11 117.78 3kkd h GLN 173 Ca -0.00 -0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.07 3kkd h GLN 173 Cb 0.50 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 3kkd h GLN 173 CO 0.00 0.14 -0.33 0.00 -0.95 0.00 0.00 178.83 177.70 3kkd h ARG 174 N 0.02 0.74 -0.06 1.46 -0.00 -1.19 -3.11 114.38 112.24 3kkd h ARG 174 Ca 0.00 -0.35 -0.00 0.00 -0.50 0.00 0.00 59.98 59.13 3kkd h ARG 174 Cb 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 29.97 30.19 3kkd h ARG 174 CO 0.02 0.96 0.02 0.82 0.00 0.00 0.00 179.97 181.79 3kkd h ILE 175 N 0.62 1.16 -0.56 2.04 2.04 -0.84 -3.23 117.51 118.74 3kkd h ILE 175 Ca 0.07 -0.47 0.10 0.00 1.00 0.00 0.00 64.86 65.56 3kkd h ILE 175 Cb 0.85 1.37 -0.11 0.00 -0.74 0.00 0.00 36.82 38.19 3kkd h ILE 175 CO 0.07 0.13 -0.30 -0.07 0.00 0.00 0.00 178.15 177.99 3kkd h LEU 176 N -0.09 -1.03 -0.94 1.44 3.38 -1.27 -2.41 115.31 114.39 3kkd h LEU 176 Ca 0.02 0.21 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 3kkd h LEU 176 Cb 0.19 0.53 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3kkd h LEU 176 CO -0.00 -0.29 -0.23 0.77 0.09 0.00 0.00 178.44 178.78 3kkd h SER 177 N -0.15 0.00 0.52 -0.43 4.64 -1.64 -3.36 113.55 113.13 3kkd h SER 177 Ca 0.24 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.38 3kkd h SER 177 Cb 0.53 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 3kkd h SER 177 CO -0.65 0.23 -0.77 -0.07 -0.87 0.00 0.00 176.83 174.70 3kkd h LEU 178 N 0.00 0.24 -1.17 5.97 3.38 -1.44 -1.36 115.31 120.92 3kkd h LEU 178 Ca -0.00 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 3kkd h LEU 178 Cb 0.82 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 3kkd h LEU 178 CO 0.03 0.91 0.06 1.23 0.09 0.00 0.00 178.44 180.77 3kkd h GLY 179 N 1.75 0.69 2.00 0.83 0.00 -1.70 -2.48 103.07 104.16 3kkd h GLY 179 Ca -0.03 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 3kkd h GLY 179 CO 0.12 0.37 -0.07 0.00 0.00 0.00 0.00 176.54 176.95 3kkd h ALA 180 N 1.45 1.07 -0.14 3.60 0.00 -1.43 -2.92 119.26 120.89 3kkd h ALA 180 Ca 0.14 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3kkd h ALA 180 Cb 0.30 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3kkd h ALA 180 CO 0.00 0.09 -0.05 0.28 0.00 0.00 0.00 179.25 179.57 3kkd h VAL 181 N 0.00 1.30 -0.39 0.00 2.07 -1.00 -1.10 116.25 117.13 3kkd h VAL 181 Ca -0.00 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 3kkd h VAL 181 Cb 0.43 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 3kkd h VAL 181 CO 0.01 0.30 0.14 1.12 0.02 0.00 0.00 177.57 179.16 3kkd h HIS 182 N -0.05 0.56 0.07 1.57 2.07 -1.57 -0.95 115.15 116.85 3kkd h HIS 182 Ca 0.03 -0.02 -0.00 0.00 -2.85 0.00 0.00 60.37 57.53 3kkd h HIS 182 Cb 0.50 -0.17 0.00 0.00 2.57 0.00 0.00 27.41 30.30 3kkd h HIS 182 CO 0.06 0.45 -0.03 0.35 -3.07 0.00 0.00 177.93 175.69 3kkd h PHE 183 N 0.56 -0.09 -0.54 6.12 3.57 -1.30 0.38 116.94 125.64 3kkd h PHE 183 Ca 0.14 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 3kkd h PHE 183 Cb 0.14 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 3kkd h PHE 183 CO 0.01 0.08 0.12 0.74 -2.23 0.00 0.00 178.31 177.02 3kkd h PHE 184 N -0.24 0.87 -0.23 0.41 0.04 -0.98 -1.64 116.94 115.17 3kkd h PHE 184 Ca -0.01 -0.09 -0.02 0.00 2.80 0.00 0.00 57.97 60.65 3kkd h PHE 184 Cb 0.20 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 3kkd h PHE 184 CO -0.03 0.74 0.06 0.37 -0.60 0.00 0.00 178.31 178.85 3kkd h GLN 185 N 0.80 0.36 -0.21 1.51 5.75 -1.06 -0.62 115.11 121.65 3kkd h GLN 185 Ca 0.17 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.60 3kkd h GLN 185 Cb 0.32 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.81 3kkd h GLN 185 CO 0.00 0.46 0.14 0.28 -2.65 0.00 0.00 178.83 177.06 3kkd h VAL 186 N 0.20 1.05 -0.12 2.39 2.07 0.14 -0.25 116.25 121.73 3kkd h VAL 186 Ca 0.07 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3kkd h VAL 186 Cb 0.26 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3kkd h VAL 186 CO -0.00 0.05 0.00 0.18 0.02 0.00 0.00 177.57 177.82 3kkd n LEU 187 N -4.51 1.40 -0.25 2.57 4.77 -0.65 -4.87 117.00 115.47 3kkd n LEU 187 Ca 0.00 -0.56 -0.03 0.00 -0.03 0.00 0.00 56.01 55.39 3kkd n LEU 187 Cb 0.08 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 3kkd n LEU 187 CO 0.35 0.28 -0.03 0.61 -1.33 0.00 0.00 177.39 177.27 3kkd n GLY 188 N 1.09 0.45 3.77 -0.72 0.00 -0.10 -4.98 105.19 104.69 3kkd n GLY 188 Ca 0.17 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 3kkd n GLY 188 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kkd s SER 189 N -2.93 5.85 0.35 1.61 0.15 -0.29 -4.91 113.70 113.52 3kkd s SER 189 Ca 0.00 2.93 0.04 0.00 0.70 0.00 0.00 55.95 59.62 3kkd s SER 189 Cb 0.00 -2.65 0.66 0.00 -1.71 0.00 0.00 66.02 62.32 3kkd s SER 189 CO 0.00 -1.20 1.94 1.23 1.20 0.00 0.00 173.24 176.42 3kkd h GLY 190 N 2.30 0.64 -6.02 9.45 0.00 -1.89 -3.37 103.07 104.18 3kkd h GLY 190 Ca -0.51 -0.31 -0.54 0.00 0.00 0.00 0.00 47.33 45.97 3kkd h GLY 190 CO 0.61 0.30 -1.03 -1.06 0.00 0.00 0.00 176.54 175.36 3kkd n GLN 191 N -4.36 0.57 -0.14 4.80 6.02 -1.26 -5.01 117.38 117.99 3kkd n GLN 191 Ca 0.03 -3.10 0.15 0.00 -0.01 0.00 0.00 57.00 54.06 3kkd n GLN 191 Cb 0.16 -1.36 0.51 0.00 1.02 0.00 0.00 30.24 30.57 3kkd n GLN 191 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 3kkd h PRO 192 N 4.47 0.40 -0.31 -1.09 0.11 -1.89 0.36 132.00 134.03 3kkd h PRO 192 Ca 0.11 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 66.02 3kkd h PRO 192 Cb 0.90 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 3kkd h PRO 192 CO 0.42 0.26 -0.50 0.93 -0.21 0.00 0.00 178.00 178.90 3kkd h GLU 193 N 0.41 0.88 -0.04 1.05 3.07 -1.95 -0.04 114.58 117.96 3kkd h GLU 193 Ca 0.35 -0.53 -0.21 0.00 -0.50 0.00 0.00 59.36 58.47 3kkd h GLU 193 Cb 0.78 0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.74 3kkd h GLU 193 CO -0.11 1.17 -0.84 1.96 -1.40 0.00 0.00 179.01 179.79 3kkd h GLN 194 N 0.69 0.44 -0.60 2.33 7.50 -1.83 -2.83 115.11 120.80 3kkd h GLN 194 Ca 0.03 -0.41 -0.04 0.00 0.50 0.00 0.00 58.65 58.73 3kkd h GLN 194 Cb 1.10 0.10 -0.03 0.00 0.05 0.00 0.00 27.48 28.70 3kkd h GLN 194 CO 0.11 1.06 0.23 -0.44 -1.50 0.00 0.00 178.83 178.29 3kkd h ASP 195 N 0.27 0.84 -0.80 1.46 3.32 -0.83 -2.02 116.42 118.66 3kkd h ASP 195 Ca -0.06 -0.18 0.03 0.00 0.02 0.00 0.00 57.03 56.85 3kkd h ASP 195 Cb 1.45 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 40.74 3kkd h ASP 195 CO 0.15 0.79 0.53 0.00 -1.72 0.00 0.00 179.24 178.99 3kkd h ALA 196 N 1.08 1.52 -0.26 3.45 0.00 -0.97 0.21 119.26 124.30 3kkd h ALA 196 Ca 0.20 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 3kkd h ALA 196 Cb 0.22 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3kkd h ALA 196 CO -0.01 0.40 -0.45 0.87 0.00 0.00 0.00 179.25 180.06 3kkd h LYS 197 N 0.99 0.65 -0.14 0.00 1.79 -1.21 -1.26 116.57 117.38 3kkd h LYS 197 Ca 0.32 -0.36 -0.05 0.00 -2.18 0.00 0.00 60.65 58.38 3kkd h LYS 197 Cb 0.04 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.71 3kkd h LYS 197 CO -0.09 0.97 -0.11 0.28 -1.08 0.00 0.00 179.45 179.41 3kkd h VAL 198 N 0.53 1.34 -0.24 0.50 2.07 -1.12 -1.07 116.25 118.26 3kkd h VAL 198 Ca 0.03 -1.23 0.05 0.00 0.82 0.00 0.00 66.70 66.37 3kkd h VAL 198 Cb 0.98 1.83 -0.05 0.00 -1.52 0.00 0.00 31.29 32.54 3kkd h VAL 198 CO 0.09 0.36 -0.09 0.25 0.02 0.00 0.00 177.57 178.21 3kkd h LEU 199 N -0.03 -0.30 -0.74 2.57 5.85 -0.92 -1.33 115.31 120.41 3kkd h LEU 199 Ca 0.03 0.08 0.13 0.00 0.84 0.00 0.00 57.88 58.96 3kkd h LEU 199 Cb 0.62 0.18 -0.09 0.00 0.37 0.00 0.00 40.66 41.74 3kkd h LEU 199 CO 0.03 -0.11 0.30 0.74 -0.34 0.00 0.00 178.44 179.05 3kkd h THR 200 N -0.04 0.69 -0.69 1.05 2.02 -1.15 0.01 112.91 114.78 3kkd h THR 200 Ca 0.12 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 3kkd h THR 200 Cb 0.23 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 66.79 3kkd h THR 200 CO -0.27 0.08 0.37 0.28 0.37 0.00 0.00 175.52 176.36 3kkd h SER 201 N 0.46 0.87 -0.15 4.18 0.02 -0.50 -0.97 113.55 117.45 3kkd h SER 201 Ca 0.40 -0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 61.16 3kkd h SER 201 Cb 0.58 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 3kkd h SER 201 CO -0.38 0.72 -0.23 0.40 -1.14 0.00 0.00 176.83 176.20 3kkd h ILE 202 N 0.95 1.36 -0.57 3.27 2.04 -0.57 -2.65 117.51 121.34 3kkd h ILE 202 Ca 0.24 -1.45 -0.10 0.00 1.00 0.00 0.00 64.86 64.56 3kkd h ILE 202 Cb 0.05 1.93 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 3kkd h ILE 202 CO -0.04 0.43 -0.03 0.40 0.00 0.00 0.00 178.15 178.91 3kkd h ILE 203 N 0.05 1.26 -0.75 -0.67 1.08 -0.86 -2.93 117.51 114.68 3kkd h ILE 203 Ca 0.02 -1.17 -0.03 0.00 -0.39 0.00 0.00 64.86 63.29 3kkd h ILE 203 Cb 0.79 0.85 -0.03 0.00 -3.07 0.00 0.00 36.82 35.36 3kkd h ILE 203 CO 0.05 0.42 0.36 -0.07 -0.69 0.00 0.00 178.15 178.22 3kkd h LEU 204 N 0.92 0.99 -1.93 1.44 3.38 -1.10 0.43 115.31 119.45 3kkd h LEU 204 Ca 0.16 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3kkd h LEU 204 Cb 0.58 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3kkd h LEU 204 CO 0.03 0.85 0.00 1.67 0.09 0.00 0.00 178.44 181.08 3kkd n GLN 205 N -4.39 0.46 0.00 1.13 -0.06 -1.01 -1.51 117.38 112.00 3kkd n GLN 205 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.07 3kkd n GLN 205 Cb 0.14 -1.27 0.00 0.00 -4.06 0.00 0.00 30.24 25.05 3kkd n GLN 205 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 3kkd n GLU 207 N 0.74 0.00 -0.17 3.69 1.02 0.14 -1.02 120.64 125.04 3kkd n GLU 207 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 3kkd n GLU 207 Cb 0.22 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 31.70 3kkd n GLU 207 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 3kkd h TYR 208 N 0.00 0.45 -0.27 -0.32 3.20 -1.53 -1.63 116.97 116.88 3kkd h TYR 208 Ca 0.00 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.75 3kkd h TYR 208 Cb 0.00 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 3kkd h TYR 208 CO 0.00 0.21 -0.41 0.37 -1.64 0.00 0.00 178.16 176.69 3kkd h GLN 209 N 0.48 0.65 -0.76 1.82 5.75 -1.34 -1.72 115.11 119.99 3kkd h GLN 209 Ca 0.23 -0.34 -0.01 0.00 -0.15 0.00 0.00 58.65 58.39 3kkd h GLN 209 Cb 0.17 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.69 3kkd h GLN 209 CO -0.18 0.94 0.45 0.78 -2.65 0.00 0.00 178.83 178.17 3kkd h GLY 210 N 1.00 1.11 1.18 2.39 0.00 -1.78 0.96 103.07 107.92 3kkd h GLY 210 Ca 0.04 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 3kkd h GLY 210 CO 0.08 0.45 0.30 1.41 0.00 0.00 0.00 176.54 178.78 3kkd h LEU 211 N 1.05 0.95 -0.03 3.11 3.38 -0.88 0.90 115.31 123.80 3kkd h LEU 211 Ca 0.27 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3kkd h LEU 211 Cb -0.03 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.47 3kkd h LEU 211 CO -0.05 0.84 -0.15 0.58 0.09 0.00 0.00 178.44 179.75 3kkd h VAL 212 N 1.03 1.48 -0.50 1.22 2.07 -0.99 -3.24 116.25 117.31 3kkd h VAL 212 Ca 0.24 -1.63 -0.05 0.00 0.82 0.00 0.00 66.70 66.08 3kkd h VAL 212 Cb 0.17 2.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.37 3kkd h VAL 212 CO -0.02 0.45 0.09 0.44 0.02 0.00 0.00 177.57 178.55 3kkd h ASP 213 N -0.42 0.72 -4.38 0.57 3.32 -0.75 -3.49 116.42 111.98 3kkd h ASP 213 Ca -0.01 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.91 3kkd h ASP 213 Cb 0.81 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3kkd h ASP 213 CO 0.03 0.73 0.00 0.61 -1.72 0.00 0.00 179.24 178.89 3kkd n GLY 214 N -0.85 -0.77 0.25 2.75 0.00 0.30 -4.48 105.19 102.40 3kkd n GLY 214 Ca 0.03 -1.61 0.01 0.00 0.00 0.00 0.00 46.02 44.46 3kkd n GLY 214 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3kkd h VAL 215 N 0.00 1.19 0.00 1.61 -1.51 -1.86 -1.65 116.25 114.03 3kkd h VAL 215 Ca 0.00 -0.83 0.00 0.00 -1.23 0.00 0.00 66.70 64.64 3kkd h VAL 215 Cb 0.00 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.28 3kkd h VAL 215 CO 0.00 0.27 0.00 -0.62 -1.23 0.00 0.00 177.57 175.99 3kkd n GLU 216 N -4.26 0.07 -0.89 5.19 1.02 -1.26 -3.84 120.64 116.68 3kkd n GLU 216 Ca 0.00 0.12 0.05 0.00 -0.02 0.00 0.00 57.16 57.31 3kkd n GLU 216 Cb 0.27 -1.59 0.11 0.00 -0.02 0.00 0.00 31.44 30.21 3kkd n GLU 216 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3kkd n GLN 217 N -1.72 0.83 -1.66 3.49 6.02 -0.64 -5.07 117.38 118.64 3kkd n GLN 217 Ca 0.06 -2.56 -0.45 0.00 -0.01 0.00 0.00 57.00 54.03 3kkd n GLN 217 Cb 0.32 -0.90 -0.03 0.00 1.02 0.00 0.00 30.24 30.65 3kkd n GLN 217 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3kkd n LEU 218 N -0.44 2.92 -3.84 1.08 4.77 -1.08 -4.79 117.00 115.62 3kkd n LEU 218 Ca 0.12 1.13 -0.42 0.00 -0.03 0.00 0.00 56.01 56.82 3kkd n LEU 218 Cb 0.86 -1.40 0.01 0.00 -2.33 0.00 0.00 43.42 40.56 3kkd n LEU 218 CO -0.03 -0.56 1.66 0.00 -1.33 0.00 0.00 177.39 177.14 3kkd n ALA 219 N 2.05 5.58 -0.19 -1.18 0.00 -1.26 -4.78 120.51 120.73 3kkd n ALA 219 Ca 0.13 -4.50 -0.10 0.00 0.00 0.00 0.00 53.44 48.97 3kkd n ALA 219 Cb 0.30 -2.64 0.01 0.00 0.00 0.00 0.00 19.45 17.12 3kkd n ALA 219 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kkd h VAL 220 N 3.31 1.27 -0.00 0.00 2.07 -2.01 -2.31 116.25 118.58 3kkd h VAL 220 Ca 0.38 -1.17 -0.10 0.00 0.82 0.00 0.00 66.70 66.63 3kkd h VAL 220 Cb 0.55 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3kkd h VAL 220 CO 1.46 0.42 -0.47 0.44 0.02 0.00 0.00 177.57 179.44 3kkd h ASP 221 N 0.86 0.00 0.00 0.57 3.32 -2.03 -1.24 116.42 117.90 3kkd h ASP 221 Ca 0.15 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3kkd h ASP 221 Cb 0.59 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 3kkd h ASP 221 CO 0.04 0.47 0.00 1.21 -1.72 0.00 0.00 179.24 179.23 3kkd n GLU 222 N -3.99 0.59 0.00 3.56 2.13 -0.87 -1.30 120.64 120.77 3kkd n GLU 222 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 3kkd n GLU 222 Cb 0.49 -1.20 0.00 0.00 0.27 0.00 0.00 31.44 30.99 3kkd n GLU 222 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3kkd n ARG 224 N 0.83 0.00 -0.15 5.31 1.74 -0.47 -1.24 116.66 122.68 3kkd n ARG 224 Ca 0.00 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 3kkd n ARG 224 Cb 0.30 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 31.82 3kkd n ARG 224 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kkd h ALA 225 N 0.00 0.93 0.04 7.54 0.00 -1.46 -0.60 119.26 125.70 3kkd h ALA 225 Ca 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 3kkd h ALA 225 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3kkd h ALA 225 CO 0.00 0.63 -0.02 0.82 0.00 0.00 0.00 179.25 180.68 3kkd h ILE 226 N 0.83 1.14 -0.63 0.00 2.04 -1.45 -1.08 117.51 118.36 3kkd h ILE 226 Ca 0.14 -0.55 0.03 0.00 1.00 0.00 0.00 64.86 65.49 3kkd h ILE 226 Cb 0.57 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 3kkd h ILE 226 CO 0.03 0.14 0.38 -0.07 0.00 0.00 0.00 178.15 178.64 3kkd h LEU 227 N -0.29 0.61 -0.64 1.44 3.38 -1.80 -2.55 115.31 115.46 3kkd h LEU 227 Ca -0.00 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3kkd h LEU 227 Cb 0.27 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3kkd h LEU 227 CO 0.01 0.42 0.02 -0.09 0.09 0.00 0.00 178.44 178.89 3kkd h ARG 228 N 0.74 1.08 -0.26 1.13 2.43 -1.02 -0.16 114.38 118.32 3kkd h ARG 228 Ca 0.26 -0.33 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3kkd h ARG 228 Cb 0.05 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3kkd h ARG 228 CO -0.12 1.04 0.17 -0.09 -1.51 0.00 0.00 179.97 179.46 3kkd h ARG 229 N 1.00 0.35 -0.25 0.20 9.65 -0.92 0.13 114.38 124.54 3kkd h ARG 229 Ca 0.18 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 59.01 3kkd h ARG 229 Cb 0.54 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.03 3kkd h ARG 229 CO 0.03 0.25 0.07 -0.92 2.80 0.00 0.00 179.97 182.19 3kkd h TYR 230 N 0.35 0.41 -0.29 2.20 3.20 -1.10 -2.57 116.97 119.17 3kkd h TYR 230 Ca 0.10 -0.05 -0.12 0.00 3.14 0.00 0.00 58.73 61.80 3kkd h TYR 230 Cb -0.02 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 3kkd h TYR 230 CO -0.05 0.47 -0.30 -0.07 -1.64 0.00 0.00 178.16 176.56 3kkd h LEU 231 N 0.23 0.62 -0.39 2.82 3.38 -0.88 -1.66 115.31 119.43 3kkd h LEU 231 Ca 0.08 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 57.87 3kkd h LEU 231 Cb 0.26 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3kkd h LEU 231 CO -0.00 0.89 0.07 0.78 0.09 0.00 0.00 178.44 180.27 3kkd h ASN 232 N 0.52 -0.00 -0.44 -0.43 2.35 -0.59 -2.66 115.58 114.32 3kkd h ASN 232 Ca 0.06 0.07 0.03 0.00 -0.55 0.00 0.00 56.30 55.92 3kkd h ASN 232 Cb 0.78 0.10 -0.04 0.00 0.05 0.00 0.00 38.32 39.21 3kkd h ASN 232 CO 0.06 0.03 0.22 -0.07 -1.65 0.00 0.00 177.43 176.02 3kkd h LEU 233 N 0.20 0.31 -1.84 1.61 3.38 -1.19 0.96 115.31 118.74 3kkd h LEU 233 Ca 0.19 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3kkd h LEU 233 Cb 0.23 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3kkd h LEU 233 CO -0.25 0.23 0.00 0.52 0.09 0.00 0.00 178.44 179.02 3kkd n VAL 234 N -4.91 0.00 -1.85 1.22 0.31 -0.65 -4.49 118.33 107.96 3kkd n VAL 234 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 3kkd n VAL 234 Cb 0.11 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.62 3kkd n VAL 234 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kkd n GLY 236 N 0.92 0.26 0.79 2.92 0.00 -0.61 -4.76 105.19 104.71 3kkd n GLY 236 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 3kkd n GLY 236 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36