#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcm n ASN 30 N 0.00 3.25 -4.79 1.62 3.02 -1.26 -4.97 115.26 112.13 3kcm n ASN 30 Ca 0.00 1.11 -0.31 0.00 -0.03 0.00 0.00 54.58 55.35 3kcm n ASN 30 Cb 0.00 -1.48 0.08 0.00 -0.61 0.00 0.00 39.78 37.77 3kcm n ASN 30 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3kcm s PRO 31 N 0.20 2.51 0.59 3.52 0.04 -1.26 -4.52 135.00 136.07 3kcm s PRO 31 Ca 0.72 1.09 -0.19 0.00 0.04 0.00 0.00 61.00 62.65 3kcm s PRO 31 Cb -0.61 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 31.96 3kcm s PRO 31 CO 0.43 -1.44 1.25 0.00 0.04 0.00 0.00 177.00 177.28 3kcm s ALA 32 N -2.95 2.59 -0.18 8.56 0.00 0.24 -4.88 121.76 125.15 3kcm s ALA 32 Ca 0.60 1.10 -0.36 0.00 0.00 0.00 0.00 51.96 53.30 3kcm s ALA 32 Cb -0.16 -3.49 -0.13 0.00 0.00 0.00 0.00 23.12 19.34 3kcm s ALA 32 CO 0.56 -1.24 1.87 -2.30 0.00 0.00 0.00 175.76 174.64 3kcm n PRO 33 N -1.47 1.74 -2.74 0.00 -0.02 -1.26 -4.94 135.00 126.31 3kcm n PRO 33 Ca 0.13 0.63 -0.36 0.00 -2.02 0.00 0.00 63.50 61.88 3kcm n PRO 33 Cb 0.48 -2.46 -0.06 0.00 -0.02 0.00 0.00 33.50 31.45 3kcm n PRO 33 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3kcm s ASP 34 N 4.25 7.08 0.20 2.55 2.15 -1.26 -5.04 116.67 126.59 3kcm s ASP 34 Ca 0.96 1.83 -0.11 0.00 0.43 0.00 0.00 52.55 55.66 3kcm s ASP 34 Cb -0.83 -2.57 -0.00 0.00 -0.30 0.00 0.00 42.92 39.22 3kcm s ASP 34 CO 0.56 -0.26 0.38 0.72 -0.17 0.00 0.00 175.17 176.41 3kcm s PHE 35 N -1.81 0.36 -0.08 -5.34 -0.12 -1.26 -5.05 117.98 104.68 3kcm s PHE 35 Ca 0.56 -0.71 -0.01 0.00 -0.05 0.00 0.00 56.93 56.72 3kcm s PHE 35 Cb -0.16 0.07 0.03 0.00 -0.63 0.00 0.00 43.02 42.33 3kcm s PHE 35 CO 0.21 -0.85 -0.02 0.99 -0.05 0.00 0.00 175.22 175.50 3kcm s THR 36 N -3.99 0.57 0.04 -4.49 2.01 -1.26 -2.32 115.64 106.20 3kcm s THR 36 Ca 0.19 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.19 3kcm s THR 36 Cb 0.01 -0.68 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 3kcm s THR 36 CO 0.04 0.29 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.47 3kcm s LEU 37 N 1.89 2.42 0.63 4.42 1.43 -0.88 -4.93 118.68 123.66 3kcm s LEU 37 Ca 0.05 -0.88 -0.14 0.00 -1.03 0.00 0.00 54.13 52.12 3kcm s LEU 37 Cb -0.12 0.19 -0.02 0.00 0.03 0.00 0.00 46.19 46.27 3kcm s LEU 37 CO -0.06 -0.54 1.06 0.20 0.23 0.00 0.00 176.35 177.24 3kcm s ASN 38 N -2.60 5.65 0.52 2.29 0.01 -1.26 -1.13 114.94 118.42 3kcm s ASN 38 Ca 0.02 1.74 0.06 0.00 -0.71 0.00 0.00 52.86 53.96 3kcm s ASN 38 Cb 0.04 -2.52 0.02 0.00 0.41 0.00 0.00 41.25 39.20 3kcm s ASN 38 CO -0.08 -1.26 0.35 0.42 -1.51 0.00 0.00 177.10 175.02 3kcm s THR 39 N -2.67 1.77 0.46 1.60 -4.23 -0.61 -1.81 115.64 110.15 3kcm s THR 39 Ca 0.61 -1.54 0.41 0.00 -1.18 0.00 0.00 61.69 59.99 3kcm s THR 39 Cb -0.15 -2.31 0.43 0.00 1.34 0.00 0.00 72.50 71.80 3kcm s THR 39 CO 0.43 0.00 2.23 -0.07 -0.54 0.00 0.00 174.62 176.68 3kcm h LEU 40 N 0.89 0.00 -3.20 4.79 3.38 -1.88 -3.01 115.31 116.27 3kcm h LEU 40 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3kcm h LEU 40 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 3kcm h LEU 40 CO 0.60 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.72 3kcm n ASN 41 N -3.07 3.65 0.00 -0.43 3.02 -1.26 -4.97 115.26 112.20 3kcm n ASN 41 Ca -0.02 -2.94 0.00 0.00 -0.03 0.00 0.00 54.58 51.59 3kcm n ASN 41 Cb 0.15 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 3kcm n ASN 41 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kcm n GLY 42 N -0.53 0.63 3.90 7.41 0.00 -1.14 -5.04 105.19 110.43 3kcm n GLY 42 Ca 0.20 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 3kcm n GLY 42 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kcm s GLU 43 N -0.28 3.56 0.24 1.61 2.12 -1.26 -4.91 118.70 119.78 3kcm s GLU 43 Ca 0.00 -0.21 0.07 0.00 0.36 0.00 0.00 54.97 55.20 3kcm s GLU 43 Cb 0.00 -2.93 -0.04 0.00 0.26 0.00 0.00 34.13 31.42 3kcm s GLU 43 CO 0.00 0.53 0.15 0.14 -0.54 0.00 0.00 175.26 175.54 3kcm s VAL 44 N -1.58 4.26 -0.05 3.70 -7.23 -1.26 -1.58 120.40 116.65 3kcm s VAL 44 Ca 0.38 -1.46 0.01 0.00 -1.81 0.00 0.00 61.98 59.09 3kcm s VAL 44 Cb -0.12 -3.28 0.02 0.00 0.56 0.00 0.00 36.38 33.56 3kcm s VAL 44 CO 0.25 -0.33 -0.04 -0.69 -0.31 0.00 0.00 175.10 173.98 3kcm s VAL 45 N -2.12 0.54 -0.06 1.32 1.01 -0.28 -4.94 120.40 115.87 3kcm s VAL 45 Ca 0.32 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.24 3kcm s VAL 45 Cb -0.08 -0.58 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 3kcm s VAL 45 CO 0.24 0.23 -0.22 -0.75 0.00 0.00 0.00 175.10 174.60 3kcm s LYS 46 N 1.04 2.60 0.18 2.72 2.20 -1.26 -2.07 119.74 125.15 3kcm s LYS 46 Ca -0.09 -0.84 -0.08 0.00 -0.36 0.00 0.00 55.97 54.59 3kcm s LYS 46 Cb -0.14 -2.24 0.08 0.00 -1.51 0.00 0.00 37.83 34.02 3kcm s LYS 46 CO -0.01 0.42 1.61 1.25 -0.36 0.00 0.00 175.35 178.27 3kcm h LEU 47 N 5.95 0.98 -0.66 5.43 5.85 -1.87 -3.22 115.31 127.77 3kcm h LEU 47 Ca -0.35 -0.33 0.14 0.00 0.84 0.00 0.00 57.88 58.18 3kcm h LEU 47 Cb 1.17 -0.27 -0.12 0.00 0.37 0.00 0.00 40.66 41.82 3kcm h LEU 47 CO 0.49 1.10 -0.08 0.28 -0.34 0.00 0.00 178.44 179.89 3kcm h SER 48 N 0.86 -0.46 0.00 1.25 0.02 -1.96 -0.53 113.55 112.73 3kcm h SER 48 Ca 0.13 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 3kcm h SER 48 Cb 0.69 0.35 0.00 0.00 0.14 0.00 0.00 62.40 63.58 3kcm h SER 48 CO 0.05 -0.18 0.05 0.47 -1.14 0.00 0.00 176.83 176.08 3kcm n ASP 49 N -5.38 0.00 -1.04 3.07 8.00 -1.21 -1.90 116.55 118.08 3kcm n ASP 49 Ca 0.09 0.38 0.11 0.00 0.71 0.00 0.00 54.79 56.08 3kcm n ASP 49 Cb 0.37 -0.38 0.19 0.00 -0.02 0.00 0.00 41.12 41.28 3kcm n ASP 49 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3kcm n LEU 50 N -1.37 3.29 -4.51 0.64 4.32 -0.21 -4.97 117.00 114.19 3kcm n LEU 50 Ca 0.00 -1.52 -0.42 0.00 -0.02 0.00 0.00 56.01 54.05 3kcm n LEU 50 Cb 0.05 -0.23 0.01 0.00 -1.62 0.00 0.00 43.42 41.62 3kcm n LEU 50 CO 0.00 0.72 0.27 0.29 -1.22 0.00 0.00 177.39 177.45 3kcm n LYS 51 N 1.32 0.84 -0.11 3.23 4.01 -0.80 -0.98 118.16 125.68 3kcm n LYS 51 Ca 0.17 0.31 0.00 0.00 -0.51 0.00 0.00 58.31 58.28 3kcm n LYS 51 Cb 0.56 -1.70 0.00 0.00 -0.51 0.00 0.00 35.03 33.38 3kcm n LYS 51 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3kcm n GLY 52 N 1.56 1.40 3.35 0.72 0.00 0.10 -5.05 105.19 107.28 3kcm n GLY 52 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 3kcm n GLY 52 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kcm s GLN 53 N -0.48 1.35 -0.09 1.61 -0.21 -0.15 -4.94 119.66 116.74 3kcm s GLN 53 Ca 0.00 -1.52 -0.24 0.00 0.02 0.00 0.00 55.36 53.62 3kcm s GLN 53 Cb 0.00 -1.31 -0.03 0.00 1.00 0.00 0.00 33.01 32.67 3kcm s GLN 53 CO 0.00 0.25 0.75 0.08 -2.12 0.00 0.00 175.29 174.25 3kcm s VAL 54 N -2.43 4.99 0.03 1.09 1.01 -0.75 -3.38 120.40 120.97 3kcm s VAL 54 Ca 0.20 1.52 0.08 0.00 0.00 0.00 0.00 61.98 63.78 3kcm s VAL 54 Cb -0.04 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 3kcm s VAL 54 CO 0.08 0.18 -0.23 -0.69 0.00 0.00 0.00 175.10 174.44 3kcm s VAL 55 N 1.20 1.84 -0.13 2.92 1.01 -0.50 -1.45 120.40 125.29 3kcm s VAL 55 Ca 0.38 -1.22 0.01 0.00 0.00 0.00 0.00 61.98 61.15 3kcm s VAL 55 Cb -0.18 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 3kcm s VAL 55 CO 0.17 0.30 -0.18 -0.63 0.00 0.00 0.00 175.10 174.77 3kcm s ILE 56 N -0.76 2.60 -0.24 2.22 1.01 -0.63 -0.85 121.20 124.55 3kcm s ILE 56 Ca 0.09 -0.82 -0.02 0.00 0.00 0.00 0.00 60.65 59.90 3kcm s ILE 56 Cb -0.09 -2.06 0.02 0.00 0.01 0.00 0.00 42.46 40.34 3kcm s ILE 56 CO 0.01 0.54 -0.07 -0.69 0.00 0.00 0.00 174.94 174.73 3kcm s VAL 57 N 0.46 2.91 -0.12 2.92 1.01 -0.25 -0.64 120.40 126.68 3kcm s VAL 57 Ca -0.12 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 60.95 3kcm s VAL 57 Cb -0.16 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.79 3kcm s VAL 57 CO 0.05 0.26 -0.18 0.21 0.00 0.00 0.00 175.10 175.44 3kcm s ASN 58 N 1.35 2.74 -0.13 3.32 2.47 -0.25 -0.88 114.94 123.55 3kcm s ASN 58 Ca 0.02 -0.51 -0.11 0.00 0.42 0.00 0.00 52.86 52.68 3kcm s ASN 58 Cb -0.16 -1.25 -0.05 0.00 -1.45 0.00 0.00 41.25 38.34 3kcm s ASN 58 CO -0.05 0.04 0.23 -0.36 -3.72 0.00 0.00 177.10 173.24 3kcm s PHE 59 N 0.92 3.53 0.19 0.43 0.40 0.34 0.32 117.98 124.11 3kcm s PHE 59 Ca -0.07 0.57 -0.21 0.00 -0.60 0.00 0.00 56.93 56.63 3kcm s PHE 59 Cb -0.15 -2.17 0.05 0.00 0.51 0.00 0.00 43.02 41.25 3kcm s PHE 59 CO -0.02 0.45 0.59 1.67 0.70 0.00 0.00 175.22 178.62 3kcm s TRP 60 N -0.22 -0.34 0.03 0.36 1.48 -0.46 -2.73 118.94 117.07 3kcm s TRP 60 Ca 0.15 0.04 -0.04 0.00 -1.06 0.00 0.00 56.10 55.19 3kcm s TRP 60 Cb -0.13 0.52 -0.01 0.00 -1.16 0.00 0.00 33.47 32.69 3kcm s TRP 60 CO 0.04 -0.93 0.06 0.00 -4.06 0.00 0.00 176.95 172.06 3kcm s ALA 61 N -3.82 -0.01 0.38 2.67 0.00 -1.26 -0.90 121.76 118.82 3kcm s ALA 61 Ca 0.05 -0.55 0.14 0.00 0.00 0.00 0.00 51.96 51.60 3kcm s ALA 61 Cb -0.02 0.21 0.99 0.00 0.00 0.00 0.00 23.12 24.30 3kcm s ALA 61 CO -0.06 -0.27 1.82 1.15 0.00 0.00 0.00 175.76 178.39 3kcm h THR 62 N 3.94 0.66 -0.02 0.00 2.02 -1.98 -2.69 112.91 114.85 3kcm h THR 62 Ca -0.32 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.68 3kcm h THR 62 Cb 1.19 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 3kcm h THR 62 CO 0.48 0.09 -0.01 -2.67 0.37 0.00 0.00 175.52 173.78 3kcm n TRP 63 N -4.60 0.00 -3.29 3.16 4.27 -1.26 -4.86 117.44 110.86 3kcm n TRP 63 Ca 0.22 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.40 3kcm n TRP 63 Cb 0.70 -0.01 -0.08 0.00 -1.36 0.00 0.00 31.31 30.56 3kcm n TRP 63 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3kcm h PRO 65 N 8.70 0.77 -0.36 0.00 0.11 -1.89 -1.98 132.00 137.35 3kcm h PRO 65 Ca -0.27 -0.22 0.11 0.00 0.11 0.00 0.00 66.00 65.73 3kcm h PRO 65 Cb 1.11 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3kcm h PRO 65 CO 0.80 0.80 0.27 -1.35 -0.21 0.00 0.00 178.00 178.30 3kcm h PRO 66 N 0.64 0.00 0.54 1.05 0.11 -1.94 -1.96 132.00 130.44 3kcm h PRO 66 Ca 0.14 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.23 3kcm h PRO 66 Cb 0.41 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.51 3kcm h PRO 66 CO 0.01 0.00 -0.33 0.00 -0.21 0.00 0.00 178.00 177.47 3kcm h ARG 68 N -0.82 0.95 -0.59 0.00 3.08 -1.22 -1.53 114.38 114.25 3kcm h ARG 68 Ca -0.06 -0.06 0.07 0.00 0.07 0.00 0.00 59.98 60.00 3kcm h ARG 68 Cb 0.67 -0.22 -0.06 0.00 0.08 0.00 0.00 29.97 30.44 3kcm h ARG 68 CO 0.07 0.63 0.28 0.93 -1.07 0.00 0.00 179.97 180.80 3kcm h GLU 69 N 0.98 0.50 0.00 0.04 5.08 -1.25 -3.20 114.58 116.72 3kcm h GLU 69 Ca 0.40 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 3kcm h GLU 69 Cb 0.27 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3kcm h GLU 69 CO -0.16 0.33 -0.06 1.05 -1.00 0.00 0.00 179.01 179.17 3kcm h GLU 70 N 0.51 0.00 0.13 2.33 4.11 -0.75 -3.40 114.58 117.51 3kcm h GLU 70 Ca 0.28 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.73 3kcm h GLU 70 Cb 0.25 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 3kcm h GLU 70 CO -0.22 0.00 -0.32 0.82 0.07 0.00 0.00 179.01 179.36 3kcm h ILE 71 N 0.00 0.32 -0.94 -1.06 2.04 -1.49 -2.60 117.51 113.78 3kcm h ILE 71 Ca 0.00 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.08 3kcm h ILE 71 Cb 0.94 0.32 -0.12 0.00 -0.74 0.00 0.00 36.82 37.21 3kcm h ILE 71 CO 0.00 0.00 0.49 -0.65 0.00 0.00 0.00 178.15 177.99 3kcm h PRO 72 N -0.55 0.50 -5.45 2.37 0.11 -1.78 -3.43 132.00 123.77 3kcm h PRO 72 Ca 0.03 -0.03 -0.23 0.00 0.11 0.00 0.00 66.00 65.88 3kcm h PRO 72 Cb 0.58 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.54 3kcm h PRO 72 CO -0.18 0.33 0.70 -1.54 -0.21 0.00 0.00 178.00 177.10 3kcm s SER 73 N -5.23 4.64 0.00 -2.05 1.04 -0.98 -4.72 113.70 106.39 3kcm s SER 73 Ca -0.11 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 55.19 3kcm s SER 73 Cb 0.25 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.79 3kcm s SER 73 CO 0.79 -3.40 0.00 0.54 0.98 0.00 0.00 173.24 172.15 3kcm n ARG 76 N 8.45 0.00 -0.00 4.02 1.74 -1.26 -3.46 116.66 126.15 3kcm n ARG 76 Ca 0.43 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.39 3kcm n ARG 76 Cb 0.46 -0.52 -0.10 0.00 -1.02 0.00 0.00 32.46 31.29 3kcm n ARG 76 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3kcm h LEU 77 N 0.00 -0.07 -0.17 0.55 5.85 -1.87 -2.44 115.31 117.17 3kcm h LEU 77 Ca 0.00 -0.55 0.04 0.00 0.84 0.00 0.00 57.88 58.21 3kcm h LEU 77 Cb 0.00 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 3kcm h LEU 77 CO 0.00 0.56 -0.11 -1.13 -0.34 0.00 0.00 178.44 177.42 3kcm h ASN 78 N -0.74 -0.36 -0.30 1.25 -1.24 -1.97 -0.34 115.58 111.89 3kcm h ASN 78 Ca -0.01 0.08 0.09 0.00 0.71 0.00 0.00 56.30 57.17 3kcm h ASN 78 Cb 0.61 0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.84 3kcm h ASN 78 CO 0.01 -0.15 0.22 0.00 -1.29 0.00 0.00 177.43 176.23 3kcm h ALA 79 N 1.02 2.25 0.00 1.57 0.00 -1.98 -2.97 119.26 119.16 3kcm h ALA 79 Ca 0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3kcm h ALA 79 Cb 0.26 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3kcm h ALA 79 CO -0.23 -0.37 -0.04 0.00 0.00 0.00 0.00 179.25 178.60 3kcm n ALA 80 N -2.58 3.95 -0.17 0.00 0.00 -0.14 -4.98 120.51 116.60 3kcm n ALA 80 Ca 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3kcm n ALA 80 Cb 0.38 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3kcm n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kcm n ALA 82 N 1.70 -1.61 -1.33 0.00 0.00 -1.12 -5.00 120.51 113.15 3kcm n ALA 82 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.38 3kcm n ALA 82 Cb 0.49 -0.27 -0.05 0.00 0.00 0.00 0.00 19.45 19.62 3kcm n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kcm n GLY 83 N 1.29 1.21 3.84 0.00 0.00 -1.26 -5.01 105.19 105.26 3kcm n GLY 83 Ca 0.00 -0.23 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 3kcm n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kcm s LYS 84 N -2.84 2.75 -0.58 1.61 1.02 -1.26 -5.02 119.74 115.42 3kcm s LYS 84 Ca 0.00 -1.26 -0.05 0.00 0.02 0.00 0.00 55.97 54.68 3kcm s LYS 84 Cb 0.00 -2.48 -0.10 0.00 -0.52 0.00 0.00 37.83 34.73 3kcm s LYS 84 CO 0.00 0.15 2.27 -0.35 -0.92 0.00 0.00 175.35 176.50 3kcm n PRO 85 N -1.33 1.82 -4.40 -1.68 -0.04 -1.26 -4.86 135.00 123.25 3kcm n PRO 85 Ca -0.03 -1.15 -0.23 0.00 -0.04 0.00 0.00 63.50 62.06 3kcm n PRO 85 Cb 0.59 -2.20 -0.16 0.00 -0.04 0.00 0.00 33.50 31.69 3kcm n PRO 85 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3kcm s PHE 86 N 2.67 1.18 0.00 0.54 5.36 -1.26 -1.80 117.98 124.67 3kcm s PHE 86 Ca 0.42 -0.41 0.00 0.00 -0.96 0.00 0.00 56.93 55.97 3kcm s PHE 86 Cb 0.14 -0.92 0.00 0.00 -0.34 0.00 0.00 43.02 41.91 3kcm s PHE 86 CO -0.02 -0.25 0.00 0.54 -1.46 0.00 0.00 175.22 174.03 3kcm n ARG 87 N 3.94 3.42 -3.18 10.12 5.12 -0.53 -4.98 116.66 130.57 3kcm n ARG 87 Ca -0.23 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 55.73 3kcm n ARG 87 Cb 0.51 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.78 3kcm n ARG 87 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3kcm s LEU 89 N 0.00 -0.13 -0.60 0.55 1.43 0.18 -1.60 118.68 118.51 3kcm s LEU 89 Ca 0.00 0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 53.12 3kcm s LEU 89 Cb 0.00 1.13 0.15 0.00 0.03 0.00 0.00 46.19 47.50 3kcm s LEU 89 CO 0.00 -0.02 0.51 0.00 0.23 0.00 0.00 176.35 177.07 3kcm s VAL 91 N 0.91 4.73 -0.03 0.00 1.01 0.15 -1.92 120.40 125.25 3kcm s VAL 91 Ca 0.10 1.45 -0.21 0.00 0.00 0.00 0.00 61.98 63.32 3kcm s VAL 91 Cb -0.22 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 31.90 3kcm s VAL 91 CO -0.02 -0.26 0.62 -0.55 0.00 0.00 0.00 175.10 174.89 3kcm s SER 92 N 1.54 6.96 -0.12 3.32 0.15 -0.90 -1.36 113.70 123.29 3kcm s SER 92 Ca 0.37 1.14 0.14 0.00 0.70 0.00 0.00 55.95 58.30 3kcm s SER 92 Cb -0.14 -2.38 0.61 0.00 -1.71 0.00 0.00 66.02 62.41 3kcm s SER 92 CO 0.12 0.02 1.48 2.30 1.20 0.00 0.00 173.24 178.35 3kcm n ILE 93 N 3.17 1.67 -1.86 6.45 -5.35 -0.07 -2.27 119.36 121.09 3kcm n ILE 93 Ca -0.05 -1.00 -0.42 0.00 -0.27 0.00 0.00 62.75 61.01 3kcm n ILE 93 Cb 0.51 -0.04 -0.03 0.00 -1.74 0.00 0.00 39.64 38.34 3kcm n ILE 93 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 3kcm s ASP 94 N -0.77 6.55 0.62 7.28 1.01 -1.26 -4.63 116.67 125.46 3kcm s ASP 94 Ca 0.42 2.57 0.30 0.00 0.71 0.00 0.00 52.55 56.55 3kcm s ASP 94 Cb 0.29 -2.56 1.64 0.00 1.01 0.00 0.00 42.92 43.29 3kcm s ASP 94 CO 0.18 -0.92 1.99 -0.08 0.21 0.00 0.00 175.17 176.55 3kcm h GLU 95 N 8.41 0.00 -0.29 8.23 4.81 -1.95 -2.52 114.58 131.27 3kcm h GLU 95 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 3kcm h GLU 95 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3kcm h GLU 95 CO 0.93 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 179.62 3kcm n GLY 96 N -1.35 0.30 7.00 1.92 0.00 -1.26 -4.95 105.19 106.84 3kcm n GLY 96 Ca 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3kcm n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kcm n GLY 97 N 0.87 1.81 0.17 -0.02 0.00 -0.95 -2.09 105.19 104.97 3kcm n GLY 97 Ca 0.09 -0.21 -0.07 0.00 0.00 0.00 0.00 46.02 45.82 3kcm n GLY 97 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3kcm h LYS 98 N 0.00 0.41 0.06 1.61 3.64 -1.95 -1.82 116.57 118.53 3kcm h LYS 98 Ca 0.00 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3kcm h LYS 98 Cb 0.00 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 3kcm h LYS 98 CO 0.00 0.27 -0.12 0.28 -2.27 0.00 0.00 179.45 177.61 3kcm h VAL 99 N 0.43 0.71 -0.08 2.00 2.07 -1.98 0.91 116.25 120.30 3kcm h VAL 99 Ca 0.15 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.71 3kcm h VAL 99 Cb 0.03 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 3kcm h VAL 99 CO -0.08 0.00 -0.22 0.00 0.02 0.00 0.00 177.57 177.29 3kcm h ALA 100 N 0.68 -0.22 -0.79 1.67 0.00 -1.22 -0.54 119.26 118.84 3kcm h ALA 100 Ca 0.03 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3kcm h ALA 100 Cb 0.26 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 3kcm h ALA 100 CO -0.08 -0.69 0.52 0.28 0.00 0.00 0.00 179.25 179.28 3kcm h VAL 101 N -0.30 1.20 -0.04 0.00 2.07 -1.12 -2.18 116.25 115.87 3kcm h VAL 101 Ca 0.08 -0.37 -0.17 0.00 0.82 0.00 0.00 66.70 67.07 3kcm h VAL 101 Cb 0.42 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3kcm h VAL 101 CO -0.26 0.19 -0.74 -0.08 0.02 0.00 0.00 177.57 176.71 3kcm h GLU 102 N 1.07 0.26 -0.37 1.57 4.57 -0.52 -0.24 114.58 120.91 3kcm h GLU 102 Ca 0.29 -0.22 -0.10 0.00 -1.18 0.00 0.00 59.36 58.15 3kcm h GLU 102 Cb -0.12 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 3kcm h GLU 102 CO -0.06 0.88 -0.19 0.93 -1.18 0.00 0.00 179.01 179.39 3kcm h GLU 103 N 0.17 0.69 -0.07 1.92 4.39 -0.94 -2.44 114.58 118.30 3kcm h GLU 103 Ca -0.03 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.40 3kcm h GLU 103 Cb 1.30 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.90 3kcm h GLU 103 CO 0.12 0.84 -0.01 0.35 -1.16 0.00 0.00 179.01 179.15 3kcm h PHE 104 N 0.62 0.14 -0.43 4.33 3.57 -0.85 -2.12 116.94 122.21 3kcm h PHE 104 Ca 0.09 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.61 3kcm h PHE 104 Cb 0.66 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 3kcm h PHE 104 CO 0.03 0.42 0.29 0.74 -2.23 0.00 0.00 178.31 177.56 3kcm h PHE 105 N -0.18 0.40 -0.62 0.41 0.04 -1.12 -2.92 116.94 112.96 3kcm h PHE 105 Ca 0.02 0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.70 3kcm h PHE 105 Cb 0.37 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 3kcm h PHE 105 CO 0.04 0.23 0.02 -0.09 -0.60 0.00 0.00 178.31 177.90 3kcm h ARG 106 N 0.41 1.07 0.00 1.51 2.43 -0.88 0.43 114.38 119.35 3kcm h ARG 106 Ca 0.18 -0.33 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 3kcm h ARG 106 Cb 0.20 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3kcm h ARG 106 CO -0.04 1.04 -0.73 0.87 -1.51 0.00 0.00 179.97 179.59 3kcm h LYS 107 N 0.98 0.00 0.00 0.20 1.57 -1.33 -3.35 116.57 114.65 3kcm h LYS 107 Ca 0.18 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.81 3kcm h LYS 107 Cb 0.54 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 3kcm h LYS 107 CO 0.03 0.00 -1.73 0.25 -0.57 0.00 0.00 179.45 177.43 3kcm n THR 108 N -2.12 0.57 -2.30 -0.16 -2.24 -1.11 -5.01 114.28 101.91 3kcm n THR 108 Ca 0.03 -0.43 -0.07 0.00 -2.27 0.00 0.00 64.05 61.30 3kcm n THR 108 Cb 0.45 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 3kcm n THR 108 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kcm n GLY 109 N 2.15 0.15 3.94 3.38 0.00 0.15 -5.06 105.19 109.90 3kcm n GLY 109 Ca -0.14 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 3kcm n GLY 109 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kcm s PHE 110 N -2.52 3.37 -0.27 1.61 2.99 -1.15 -5.05 117.98 116.96 3kcm s PHE 110 Ca 0.04 0.40 -0.24 0.00 0.00 0.00 0.00 56.93 57.13 3kcm s PHE 110 Cb -0.02 -2.21 0.07 0.00 0.00 0.00 0.00 43.02 40.86 3kcm s PHE 110 CO 0.05 -0.23 0.71 -0.08 -0.00 0.00 0.00 175.22 175.67 3kcm s THR 111 N -2.55 -0.00 0.17 0.64 -1.32 -1.26 -4.63 115.64 106.69 3kcm s THR 111 Ca 0.46 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.80 3kcm s THR 111 Cb -0.10 -0.98 0.01 0.00 -1.51 0.00 0.00 72.50 69.92 3kcm s THR 111 CO 0.39 0.00 0.41 -0.76 -2.21 0.00 0.00 174.62 172.45 3kcm s LEU 112 N 0.39 0.48 -0.58 9.08 1.43 -1.26 -5.09 118.68 123.13 3kcm s LEU 112 Ca -0.00 -0.61 -0.27 0.00 -1.03 0.00 0.00 54.13 52.22 3kcm s LEU 112 Cb -0.05 1.73 -0.00 0.00 0.03 0.00 0.00 46.19 47.90 3kcm s LEU 112 CO 0.01 -0.96 1.63 -2.16 0.23 0.00 0.00 176.35 175.10 3kcm s PRO 113 N -3.90 2.99 -0.10 1.29 0.04 -1.26 -4.98 135.00 129.08 3kcm s PRO 113 Ca 0.11 0.53 -0.03 0.00 0.04 0.00 0.00 61.00 61.65 3kcm s PRO 113 Cb 0.01 -4.26 -0.03 0.00 0.04 0.00 0.00 34.50 30.26 3kcm s PRO 113 CO -0.03 -2.31 0.02 0.08 0.04 0.00 0.00 177.00 174.80 3kcm s VAL 114 N 7.44 4.47 0.19 -0.36 1.01 -1.26 -1.73 120.40 130.16 3kcm s VAL 114 Ca 0.59 -0.18 0.09 0.00 0.00 0.00 0.00 61.98 62.48 3kcm s VAL 114 Cb -0.12 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 3kcm s VAL 114 CO 0.23 0.59 -0.08 -0.76 0.00 0.00 0.00 175.10 175.07 3kcm s LEU 115 N -0.72 3.02 -0.10 3.92 1.43 -0.81 -3.61 118.68 121.81 3kcm s LEU 115 Ca 0.11 -0.58 -0.02 0.00 -1.03 0.00 0.00 54.13 52.62 3kcm s LEU 115 Cb -0.12 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 3kcm s LEU 115 CO 0.02 0.09 0.00 -0.76 0.23 0.00 0.00 176.35 175.94 3kcm s LEU 116 N -2.93 3.57 -0.23 1.79 1.43 -0.75 -2.12 118.68 119.43 3kcm s LEU 116 Ca 0.26 0.12 0.22 0.00 -1.03 0.00 0.00 54.13 53.70 3kcm s LEU 116 Cb -0.09 -1.82 0.49 0.00 0.03 0.00 0.00 46.19 44.81 3kcm s LEU 116 CO 0.16 0.35 1.13 -0.67 0.23 0.00 0.00 176.35 177.55 3kcm n ASP 117 N 2.31 1.79 -0.41 2.29 2.03 -0.96 -4.52 116.55 119.08 3kcm n ASP 117 Ca -0.18 -2.19 0.35 0.00 0.52 0.00 0.00 54.79 53.28 3kcm n ASP 117 Cb 0.53 -0.45 0.62 0.00 -0.72 0.00 0.00 41.12 41.11 3kcm n ASP 117 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kcm h ALA 118 N 2.35 2.55 -0.19 -1.67 0.00 -1.75 0.71 119.26 121.27 3kcm h ALA 118 Ca -0.10 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3kcm h ALA 118 Cb 1.37 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.39 3kcm h ALA 118 CO 0.22 -1.23 0.00 -0.40 0.00 0.00 0.00 179.25 177.84 3kcm n ASP 119 N -4.87 0.99 0.00 0.00 3.85 -1.26 -4.31 116.55 110.95 3kcm n ASP 119 Ca 0.38 -2.00 0.00 0.00 -0.71 0.00 0.00 54.79 52.45 3kcm n ASP 119 Cb 1.38 -0.13 0.00 0.00 -1.35 0.00 0.00 41.12 41.03 3kcm n ASP 119 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3kcm n LYS 120 N 0.04 -0.09 -0.38 0.11 4.76 0.25 -4.86 118.16 118.00 3kcm n LYS 120 Ca 0.06 0.02 -0.01 0.00 -2.87 0.00 0.00 58.31 55.51 3kcm n LYS 120 Cb 0.16 -3.98 0.12 0.00 -1.84 0.00 0.00 35.03 29.49 3kcm n LYS 120 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 3kcm h ARG 121 N 0.80 1.29 -0.21 1.97 9.65 -1.91 0.50 114.38 126.47 3kcm h ARG 121 Ca 0.00 -0.08 -0.19 0.00 -1.10 0.00 0.00 59.98 58.61 3kcm h ARG 121 Cb 0.05 -0.29 0.00 0.00 -1.39 0.00 0.00 29.97 28.34 3kcm h ARG 121 CO 0.00 0.86 -0.64 0.28 2.80 0.00 0.00 179.97 183.27 3kcm h VAL 122 N 1.33 1.29 -0.34 0.20 2.07 -1.89 -2.51 116.25 116.41 3kcm h VAL 122 Ca 0.38 -1.86 0.07 0.00 0.82 0.00 0.00 66.70 66.11 3kcm h VAL 122 Cb -0.12 1.81 -0.07 0.00 -1.52 0.00 0.00 31.29 31.39 3kcm h VAL 122 CO -0.09 0.59 -0.13 1.23 0.02 0.00 0.00 177.57 179.19 3kcm h GLY 123 N 0.78 0.16 1.85 2.17 0.00 -1.75 -1.87 103.07 104.41 3kcm h GLY 123 Ca -0.01 0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 3kcm h GLY 123 CO 0.13 -0.16 0.08 0.50 0.00 0.00 0.00 176.54 177.09 3kcm h LYS 124 N -0.07 0.20 0.00 4.80 1.57 -0.84 -1.76 116.57 120.47 3kcm h LYS 124 Ca 0.17 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.79 3kcm h LYS 124 Cb 0.32 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 3kcm h LYS 124 CO -0.38 0.16 -0.70 1.25 -0.57 0.00 0.00 179.45 179.21 3kcm h LEU 125 N 0.21 0.00 -1.10 2.94 5.85 -0.96 -2.33 115.31 119.91 3kcm h LEU 125 Ca 0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3kcm h LEU 125 Cb 0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.05 3kcm h LEU 125 CO -0.01 0.70 0.00 -1.22 -0.34 0.00 0.00 178.44 177.57 3kcm n TYR 126 N -3.61 0.37 -2.46 1.25 4.02 -0.76 -4.92 117.16 111.05 3kcm n TYR 126 Ca -0.01 -0.19 -0.21 0.00 -0.01 0.00 0.00 57.90 57.49 3kcm n TYR 126 Cb 0.71 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 40.02 3kcm n TYR 126 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kcm n GLY 127 N 1.00 -0.50 3.75 2.72 0.00 -0.88 -4.96 105.19 106.33 3kcm n GLY 127 Ca 0.11 0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3kcm n GLY 127 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kcm s THR 128 N -3.03 2.74 -0.90 2.61 -4.23 -0.70 -4.94 115.64 107.18 3kcm s THR 128 Ca 0.03 0.65 0.14 0.00 -1.18 0.00 0.00 61.69 61.33 3kcm s THR 128 Cb -0.01 -3.42 -0.10 0.00 1.34 0.00 0.00 72.50 70.31 3kcm s THR 128 CO 0.03 0.12 0.67 0.35 -0.54 0.00 0.00 174.62 175.25 3kcm n THR 129 N 1.95 0.00 -3.58 3.99 -2.24 -1.26 -4.82 114.28 108.31 3kcm n THR 129 Ca 0.05 -0.23 -0.01 0.00 -2.27 0.00 0.00 64.05 61.59 3kcm n THR 129 Cb 0.41 1.06 0.01 0.00 -2.10 0.00 0.00 70.33 69.71 3kcm n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kcm n GLY 130 N 1.26 1.07 3.08 3.38 0.00 -1.26 -5.18 105.19 107.53 3kcm n GLY 130 Ca 0.04 -0.99 -0.16 0.00 0.00 0.00 0.00 46.02 44.91 3kcm n GLY 130 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kcm s VAL 131 N -2.40 0.72 0.15 1.61 -7.23 -1.26 -4.48 120.40 107.51 3kcm s VAL 131 Ca 0.07 -0.94 -0.30 0.00 -1.81 0.00 0.00 61.98 59.00 3kcm s VAL 131 Cb -0.01 -0.72 -0.07 0.00 0.56 0.00 0.00 36.38 36.15 3kcm s VAL 131 CO 0.02 -0.19 1.05 -2.84 -0.31 0.00 0.00 175.10 172.83 3kcm s PRO 132 N -1.25 4.63 -0.03 4.82 0.02 -1.26 -4.84 135.00 137.09 3kcm s PRO 132 Ca -0.04 1.63 -0.00 0.00 0.02 0.00 0.00 61.00 62.60 3kcm s PRO 132 Cb -0.08 -3.31 0.03 0.00 0.02 0.00 0.00 34.50 31.15 3kcm s PRO 132 CO 0.01 0.12 0.01 -2.00 -0.33 0.00 0.00 177.00 174.80 3kcm s GLU 133 N -0.20 0.26 -0.03 5.54 2.12 -1.10 -1.22 118.70 124.07 3kcm s GLU 133 Ca 0.49 0.12 0.02 0.00 0.36 0.00 0.00 54.97 55.97 3kcm s GLU 133 Cb -0.27 -0.52 0.01 0.00 0.26 0.00 0.00 34.13 33.60 3kcm s GLU 133 CO 0.33 -0.18 -0.09 0.99 -0.54 0.00 0.00 175.26 175.76 3kcm s THR 134 N 1.27 0.84 -0.10 -1.70 2.01 -0.39 -0.51 115.64 117.06 3kcm s THR 134 Ca -0.06 -0.37 0.03 0.00 0.31 0.00 0.00 61.69 61.60 3kcm s THR 134 Cb -0.13 -0.75 -0.00 0.00 0.01 0.00 0.00 72.50 71.62 3kcm s THR 134 CO -0.02 0.26 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.59 3kcm s PHE 135 N 0.29 2.60 -0.14 4.92 0.40 -0.06 -1.09 117.98 124.89 3kcm s PHE 135 Ca -0.05 -0.96 -0.06 0.00 -0.60 0.00 0.00 56.93 55.26 3kcm s PHE 135 Cb -0.10 -1.73 -0.04 0.00 0.51 0.00 0.00 43.02 41.66 3kcm s PHE 135 CO 0.01 -0.37 0.08 0.08 0.70 0.00 0.00 175.22 175.72 3kcm s VAL 136 N 0.31 4.96 -0.04 -0.44 1.01 0.32 -1.09 120.40 125.44 3kcm s VAL 136 Ca -0.17 0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.85 3kcm s VAL 136 Cb -0.17 -3.18 0.01 0.00 0.00 0.00 0.00 36.38 33.04 3kcm s VAL 136 CO 0.08 0.55 -0.10 -0.63 0.00 0.00 0.00 175.10 175.00 3kcm s ILE 137 N -0.44 0.93 0.81 2.22 1.01 -0.03 0.35 121.20 126.05 3kcm s ILE 137 Ca 0.10 -0.40 -0.12 0.00 0.00 0.00 0.00 60.65 60.23 3kcm s ILE 137 Cb -0.12 -0.84 0.08 0.00 0.01 0.00 0.00 42.46 41.59 3kcm s ILE 137 CO 0.02 0.29 1.17 1.51 0.00 0.00 0.00 174.94 177.93 3kcm s ASP 138 N 0.41 4.53 0.59 3.58 1.47 0.87 -1.41 116.67 126.71 3kcm s ASP 138 Ca -0.08 0.82 0.29 0.00 1.18 0.00 0.00 52.55 54.76 3kcm s ASP 138 Cb -0.12 -1.34 1.48 0.00 -0.34 0.00 0.00 42.92 42.60 3kcm s ASP 138 CO 0.02 -1.89 1.90 0.08 0.68 0.00 0.00 175.17 175.95 3kcm h ARG 139 N -1.05 0.00 -0.07 2.11 0.11 -1.87 0.17 114.38 113.78 3kcm h ARG 139 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 3kcm h ARG 139 Cb 1.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.40 3kcm h ARG 139 CO 0.66 0.00 0.00 0.72 0.10 0.00 0.00 179.97 181.45 3kcm n HIS 140 N -3.75 0.09 -1.16 4.08 8.25 -1.26 -0.72 115.22 120.75 3kcm n HIS 140 Ca 0.09 -0.04 -0.01 0.00 -0.26 0.00 0.00 57.72 57.50 3kcm n HIS 140 Cb 0.68 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.79 3kcm n HIS 140 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kcm n GLY 141 N 1.06 0.43 3.88 -1.41 0.00 0.59 -4.98 105.19 104.76 3kcm n GLY 141 Ca 0.17 -1.03 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 3kcm n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kcm s VAL 142 N -2.03 5.30 0.10 1.61 1.01 -1.26 -0.59 120.40 124.54 3kcm s VAL 142 Ca 0.00 0.21 -0.31 0.00 0.00 0.00 0.00 61.98 61.88 3kcm s VAL 142 Cb 0.00 -3.56 -0.07 0.00 0.00 0.00 0.00 36.38 32.75 3kcm s VAL 142 CO 0.00 0.40 1.28 -0.63 0.00 0.00 0.00 175.10 176.14 3kcm s ILE 143 N -1.27 3.67 -0.05 2.22 1.01 -1.26 -0.09 121.20 125.43 3kcm s ILE 143 Ca 0.26 1.22 0.05 0.00 0.00 0.00 0.00 60.65 62.18 3kcm s ILE 143 Cb -0.13 -3.78 -0.07 0.00 0.01 0.00 0.00 42.46 38.49 3kcm s ILE 143 CO 0.15 0.11 0.02 -0.11 0.00 0.00 0.00 174.94 175.11 3kcm n LEU 144 N 3.77 0.00 -3.66 2.97 7.94 0.16 -4.90 117.00 123.28 3kcm n LEU 144 Ca 0.09 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.88 3kcm n LEU 144 Cb 0.44 0.13 -0.08 0.00 0.53 0.00 0.00 43.42 44.45 3kcm n LEU 144 CO 0.57 0.13 0.30 -0.75 -1.11 0.00 0.00 177.39 176.53 3kcm s LYS 145 N -2.14 0.69 -0.14 1.96 2.20 -1.16 -5.01 119.74 116.15 3kcm s LYS 145 Ca -0.03 0.97 0.02 0.00 -0.36 0.00 0.00 55.97 56.58 3kcm s LYS 145 Cb 0.02 0.26 0.01 0.00 -1.51 0.00 0.00 37.83 36.60 3kcm s LYS 145 CO 0.22 -0.11 -0.21 0.21 -0.36 0.00 0.00 175.35 175.10 3kcm s LYS 146 N 0.81 3.06 -0.09 4.03 2.20 -1.26 -0.52 119.74 127.97 3kcm s LYS 146 Ca -0.04 -0.84 0.03 0.00 -0.36 0.00 0.00 55.97 54.76 3kcm s LYS 146 Cb -0.05 -2.44 0.00 0.00 -1.51 0.00 0.00 37.83 33.83 3kcm s LYS 146 CO -0.06 0.02 -0.20 0.08 -0.36 0.00 0.00 175.35 174.83 3kcm s VAL 147 N 0.73 1.77 -0.17 4.02 1.01 -0.25 -5.02 120.40 122.48 3kcm s VAL 147 Ca -0.09 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 3kcm s VAL 147 Cb -0.16 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 3kcm s VAL 147 CO 0.00 0.49 -0.07 -0.69 0.00 0.00 0.00 175.10 174.84 3kcm s VAL 148 N 0.49 3.42 0.00 2.92 1.01 -1.26 -1.26 120.40 125.71 3kcm s VAL 148 Ca -0.17 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.31 3kcm s VAL 148 Cb -0.17 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.71 3kcm s VAL 148 CO 0.07 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.25 3kcm n GLY 149 N 4.02 0.66 3.60 4.51 0.00 -0.36 -5.04 105.19 112.59 3kcm n GLY 149 Ca -0.18 -1.98 -0.29 0.00 0.00 0.00 0.00 46.02 43.57 3kcm n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcm s ALA 150 N -1.64 0.55 -0.37 4.61 0.00 -1.26 -4.82 121.76 118.83 3kcm s ALA 150 Ca 0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 51.96 51.32 3kcm s ALA 150 Cb 0.00 -3.03 0.08 0.00 0.00 0.00 0.00 23.12 20.18 3kcm s ALA 150 CO 0.00 -3.35 0.13 -1.21 0.00 0.00 0.00 175.76 171.33 3kcm s GLU 152 N -5.10 2.24 0.33 0.00 0.41 -1.26 -5.08 118.70 110.24 3kcm s GLU 152 Ca 0.68 -1.55 0.23 0.00 -0.41 0.00 0.00 54.97 53.92 3kcm s GLU 152 Cb -0.16 -3.45 0.31 0.00 -1.78 0.00 0.00 34.13 29.05 3kcm s GLU 152 CO 0.58 -0.88 1.46 -1.49 -0.49 0.00 0.00 175.26 174.44 3kcm h TRP 153 N 8.07 0.00 0.00 1.61 4.06 -1.88 -3.22 115.95 124.59 3kcm h TRP 153 Ca -0.17 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.78 3kcm h TRP 153 Cb 1.06 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.22 3kcm h TRP 153 CO 0.58 0.00 0.00 -0.40 -3.56 0.00 0.00 178.44 175.06 3kcm n ASP 154 N -2.81 0.00 -4.78 -3.49 3.85 -1.22 -4.61 116.55 103.49 3kcm n ASP 154 Ca 0.03 0.37 -0.41 0.00 -0.71 0.00 0.00 54.79 54.07 3kcm n ASP 154 Cb 0.52 -0.45 -0.00 0.00 -1.35 0.00 0.00 41.12 39.83 3kcm n ASP 154 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.20 175.19 3kcm s HIS 155 N -2.90 2.65 0.32 2.11 3.76 -1.22 -4.79 115.29 115.22 3kcm s HIS 155 Ca 0.14 1.19 0.10 0.00 -0.15 0.00 0.00 55.06 56.34 3kcm s HIS 155 Cb 0.15 -3.98 0.89 0.00 1.11 0.00 0.00 32.58 30.75 3kcm s HIS 155 CO 0.41 -2.88 1.74 -1.35 -0.85 0.00 0.00 174.74 171.81 3kcm h PRO 156 N 3.11 0.57 -0.80 8.40 0.11 -1.93 -1.19 132.00 140.26 3kcm h PRO 156 Ca -0.50 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.61 3kcm h PRO 156 Cb 1.24 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 3kcm h PRO 156 CO 0.65 0.38 0.50 0.93 -0.21 0.00 0.00 178.00 180.25 3kcm h GLU 157 N 0.58 0.92 0.07 1.05 3.07 -1.97 -1.68 114.58 116.62 3kcm h GLU 157 Ca 0.63 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 59.43 3kcm h GLU 157 Cb 1.22 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.92 3kcm h GLU 157 CO -0.45 0.61 -0.03 0.28 -1.40 0.00 0.00 179.01 178.02 3kcm h VAL 158 N 0.95 1.09 -0.89 3.13 2.07 -1.56 -2.85 116.25 118.19 3kcm h VAL 158 Ca 0.33 -0.56 0.12 0.00 0.82 0.00 0.00 66.70 67.41 3kcm h VAL 158 Cb 0.08 1.46 -0.08 0.00 -1.52 0.00 0.00 31.29 31.23 3kcm h VAL 158 CO -0.14 0.14 0.52 0.40 0.02 0.00 0.00 177.57 178.51 3kcm h ILE 159 N -0.34 0.86 -0.21 4.57 1.08 -1.26 -0.57 117.51 121.65 3kcm h ILE 159 Ca -0.01 -0.28 -0.13 0.00 -0.39 0.00 0.00 64.86 64.05 3kcm h ILE 159 Cb 0.30 -0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.02 3kcm h ILE 159 CO 0.02 0.15 -0.43 0.00 -0.69 0.00 0.00 178.15 177.19 3kcm h ALA 160 N 1.51 0.87 0.06 1.87 0.00 -1.35 -0.11 119.26 122.11 3kcm h ALA 160 Ca 0.45 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kcm h ALA 160 Cb 0.49 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3kcm h ALA 160 CO -0.28 0.65 -0.03 0.35 0.00 0.00 0.00 179.25 179.93 3kcm h PHE 161 N 0.41 -0.08 -0.65 0.00 3.57 -1.04 -1.65 116.94 117.50 3kcm h PHE 161 Ca 0.03 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 3kcm h PHE 161 Cb 0.92 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.66 3kcm h PHE 161 CO 0.03 0.29 0.16 -0.07 -2.23 0.00 0.00 178.31 176.49 3kcm h LEU 162 N -0.45 0.97 -1.09 0.59 3.38 -1.04 -0.58 115.31 117.09 3kcm h LEU 162 Ca -0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 3kcm h LEU 162 Cb 0.40 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3kcm h LEU 162 CO 0.01 0.94 0.35 0.78 0.09 0.00 0.00 178.44 180.62 3kcm h ASN 163 N 0.98 0.89 -0.29 -0.43 2.35 -1.00 -2.06 115.58 116.03 3kcm h ASN 163 Ca 0.21 -0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 55.81 3kcm h ASN 163 Cb 0.35 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 3kcm h ASN 163 CO 0.00 0.74 -0.01 -1.13 -1.65 0.00 0.00 177.43 175.38 3kcm h ASN 164 N 0.99 0.60 0.64 5.81 -1.24 -0.28 -2.22 115.58 119.89 3kcm h ASN 164 Ca 0.25 -0.13 -0.11 0.00 0.71 0.00 0.00 56.30 57.01 3kcm h ASN 164 Cb 0.08 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 38.95 3kcm h ASN 164 CO -0.03 0.68 -0.52 -0.08 -1.29 0.00 0.00 177.43 176.18 3kcm h GLU 165 N 0.60 0.00 0.03 6.67 4.57 -0.75 -3.06 114.58 122.64 3kcm h GLU 165 Ca 0.12 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 58.09 3kcm h GLU 165 Cb 0.40 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 3kcm h GLU 165 CO 0.02 0.52 -0.97 1.25 -1.18 0.00 0.00 179.01 178.65 3kcm h LEU 166 N 0.00 0.23 -1.28 1.64 5.85 -1.12 -3.24 115.31 117.40 3kcm h LEU 166 Ca -0.01 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.50 3kcm h LEU 166 Cb 0.99 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.94 3kcm h LEU 166 CO 0.07 1.07 0.04 -1.54 -0.34 0.00 0.00 178.44 177.74 3kcm n SER 167 N -3.57 0.50 -2.06 1.25 3.41 -0.86 -3.52 113.62 108.76 3kcm n SER 167 Ca -0.04 0.72 -0.23 0.00 -0.26 0.00 0.00 58.87 59.06 3kcm n SER 167 Cb 0.87 -0.77 0.11 0.00 -0.26 0.00 0.00 64.21 64.16 3kcm n SER 167 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3kcm n LYS 168 N -2.18 2.15 -2.36 4.33 5.02 -1.22 -4.89 118.16 119.00 3kcm n LYS 168 Ca -0.01 -2.51 -0.41 0.00 -2.02 0.00 0.00 58.31 53.36 3kcm n LYS 168 Cb 0.07 -1.99 -0.03 0.00 -0.02 0.00 0.00 35.03 33.06 3kcm n LYS 168 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kcm s ALA 169 N -2.83 3.44 0.00 7.82 0.00 -1.23 -5.05 121.76 123.91 3kcm s ALA 169 Ca 0.48 0.98 0.00 0.00 0.00 0.00 0.00 51.96 53.42 3kcm s ALA 169 Cb 0.40 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 20.11 3kcm s ALA 169 CO 0.05 -0.35 0.27 0.54 0.00 0.00 0.00 175.76 176.26