#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kab n PRO 8 N 0.00 -0.15 -1.51 3.23 -0.02 -1.26 -4.63 135.00 130.67 3kab n PRO 8 Ca 0.00 -0.03 -0.59 0.00 -2.02 0.00 0.00 63.50 60.86 3kab n PRO 8 Cb 0.00 -1.30 -0.09 0.00 -0.02 0.00 0.00 33.50 32.09 3kab n PRO 8 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3kab n PRO 9 N 0.99 0.50 0.00 0.52 -0.01 -1.26 -2.45 135.00 133.29 3kab n PRO 9 Ca 0.01 0.16 0.00 0.00 -0.01 0.00 0.00 63.50 63.66 3kab n PRO 9 Cb 0.57 -1.85 0.00 0.00 -0.01 0.00 0.00 33.50 32.21 3kab n PRO 9 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3kab n GLY 10 N 5.76 0.40 3.76 -1.23 0.00 -1.26 -4.92 105.19 107.70 3kab n GLY 10 Ca 0.40 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.05 3kab n GLY 10 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3kab s TRP 11 N -2.00 3.56 0.05 1.61 0.52 -1.03 -1.23 118.94 120.44 3kab s TRP 11 Ca 0.00 0.82 0.04 0.00 0.02 0.00 0.00 56.10 56.98 3kab s TRP 11 Cb 0.00 -2.39 -0.03 0.00 -1.15 0.00 0.00 33.47 29.90 3kab s TRP 11 CO 0.00 0.35 -0.13 -1.83 0.02 0.00 0.00 176.95 175.36 3kab s GLU 12 N 0.01 0.78 0.25 4.98 -1.05 -0.28 -4.89 118.70 118.50 3kab s GLU 12 Ca 0.22 -0.84 -0.30 0.00 -0.15 0.00 0.00 54.97 53.91 3kab s GLU 12 Cb -0.15 -0.74 -0.09 0.00 -0.44 0.00 0.00 34.13 32.71 3kab s GLU 12 CO 0.09 0.17 1.31 0.15 0.95 0.00 0.00 175.26 177.93 3kab s LYS 13 N -1.49 4.39 0.33 -4.83 1.02 -1.26 -1.51 119.74 116.39 3kab s LYS 13 Ca -0.02 2.11 0.04 0.00 0.02 0.00 0.00 55.97 58.11 3kab s LYS 13 Cb -0.09 -3.15 -0.06 0.00 -0.52 0.00 0.00 37.83 34.01 3kab s LYS 13 CO 0.02 -0.22 0.06 0.00 -0.92 0.00 0.00 175.35 174.29 3kab s ALA 14 N -0.34 2.44 -0.17 5.17 0.00 -0.52 -4.91 121.76 123.42 3kab s ALA 14 Ca 0.54 -1.99 -0.05 0.00 0.00 0.00 0.00 51.96 50.46 3kab s ALA 14 Cb -0.38 0.65 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 3kab s ALA 14 CO 0.43 -0.30 0.00 1.41 0.00 0.00 0.00 175.76 177.30 3kab s MET 15 N -3.88 3.75 -0.01 0.00 1.75 -1.26 -2.11 119.30 117.54 3kab s MET 15 Ca 0.35 -0.47 -0.30 0.00 -1.25 0.00 0.00 55.69 54.02 3kab s MET 15 Cb 0.08 -3.04 -0.06 0.00 2.84 0.00 0.00 34.83 34.65 3kab s MET 15 CO 0.15 0.20 1.53 0.45 -0.65 0.00 0.00 175.02 176.70 3kab s SER 16 N 0.51 6.74 0.15 1.11 0.15 0.47 -4.92 113.70 117.90 3kab s SER 16 Ca -0.01 2.21 -0.12 0.00 0.70 0.00 0.00 55.95 58.73 3kab s SER 16 Cb -0.14 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 3kab s SER 16 CO 0.02 -0.83 1.57 -0.09 1.20 0.00 0.00 173.24 175.11 3kab h ARG 17 N 8.51 0.88 0.09 5.44 2.43 -1.97 0.16 114.38 129.92 3kab h ARG 17 Ca -0.39 -0.32 -0.00 0.00 -0.81 0.00 0.00 59.98 58.46 3kab h ARG 17 Cb 1.18 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 3kab h ARG 17 CO 0.93 0.97 -0.04 0.77 -1.51 0.00 0.00 179.97 181.08 3kab h SER 18 N 0.73 -0.10 0.00 -3.80 0.02 -1.97 -3.40 113.55 105.03 3kab h SER 18 Ca 0.12 -0.26 -0.10 0.00 -0.84 0.00 0.00 61.79 60.72 3kab h SER 18 Cb 0.62 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 3kab h SER 18 CO 0.04 0.21 -1.78 -1.54 -1.14 0.00 0.00 176.83 172.62 3kab n SER 19 N -5.00 1.64 -0.58 3.07 3.41 -1.23 -4.99 113.62 109.93 3kab n SER 19 Ca -0.08 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.45 3kab n SER 19 Cb 0.19 1.34 -0.03 0.00 -0.26 0.00 0.00 64.21 65.45 3kab n SER 19 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kab n GLY 20 N 1.86 0.88 3.82 5.00 0.00 0.57 -5.01 105.19 112.31 3kab n GLY 20 Ca -0.10 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 3kab n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kab s ARG 21 N -2.34 4.11 0.46 1.61 0.52 -1.26 -4.74 118.95 117.31 3kab s ARG 21 Ca 0.00 0.64 -0.23 0.00 -0.52 0.00 0.00 55.73 55.62 3kab s ARG 21 Cb 0.00 -3.14 -0.07 0.00 0.52 0.00 0.00 34.95 32.25 3kab s ARG 21 CO 0.00 0.60 1.18 0.14 0.02 0.00 0.00 175.30 177.24 3kab s VAL 22 N -1.21 3.02 0.17 3.52 -7.23 -1.26 -0.40 120.40 117.01 3kab s VAL 22 Ca 0.31 0.78 0.04 0.00 -1.81 0.00 0.00 61.98 61.30 3kab s VAL 22 Cb -0.18 -3.40 -0.01 0.00 0.56 0.00 0.00 36.38 33.35 3kab s VAL 22 CO 0.19 -0.00 0.13 0.00 -0.31 0.00 0.00 175.10 175.10 3kab n TYR 23 N -0.47 -0.30 -4.86 2.82 0.18 -0.90 -4.85 117.16 108.78 3kab n TYR 23 Ca 0.07 -1.38 -0.27 0.00 1.88 0.00 0.00 57.90 58.20 3kab n TYR 23 Cb 0.48 0.12 -0.16 0.00 -0.38 0.00 0.00 39.34 39.39 3kab n TYR 23 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 3kab s TYR 24 N -2.60 1.86 0.03 -3.48 1.51 0.27 -1.44 117.35 113.50 3kab s TYR 24 Ca 0.18 -0.64 0.09 0.00 -1.01 0.00 0.00 57.07 55.69 3kab s TYR 24 Cb 0.01 -1.27 -0.03 0.00 -0.11 0.00 0.00 41.96 40.56 3kab s TYR 24 CO 0.13 -0.26 -0.26 0.12 -1.11 0.00 0.00 175.55 174.16 3kab s PHE 25 N 0.31 2.32 -0.24 2.71 5.36 -0.57 -1.74 117.98 126.14 3kab s PHE 25 Ca -0.11 -0.42 -0.01 0.00 -0.96 0.00 0.00 56.93 55.43 3kab s PHE 25 Cb -0.15 -1.41 0.02 0.00 -0.34 0.00 0.00 43.02 41.15 3kab s PHE 25 CO 0.04 0.10 -0.08 1.21 -1.46 0.00 0.00 175.22 175.03 3kab s ASN 26 N -1.14 4.18 0.00 6.13 3.84 0.48 -1.13 114.94 127.30 3kab s ASN 26 Ca 0.11 -0.82 0.26 0.00 0.21 0.00 0.00 52.86 52.62 3kab s ASN 26 Cb -0.10 -1.64 1.11 0.00 -0.55 0.00 0.00 41.25 40.07 3kab s ASN 26 CO 0.02 -0.10 1.83 0.00 -2.79 0.00 0.00 177.10 176.05 3kab n HIS 27 N 4.67 0.00 -0.01 0.43 1.44 -0.36 -0.02 115.22 121.36 3kab n HIS 27 Ca -0.17 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.33 3kab n HIS 27 Cb 0.48 -0.48 -0.14 0.00 0.12 0.00 0.00 29.99 29.97 3kab n HIS 27 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 3kab n ILE 28 N -1.48 1.74 0.67 0.61 5.41 -1.26 -4.49 119.36 120.56 3kab n ILE 28 Ca 0.07 -0.61 0.09 0.00 1.00 0.00 0.00 62.75 63.29 3kab n ILE 28 Cb 0.29 -1.72 -0.11 0.00 -0.71 0.00 0.00 39.64 37.39 3kab n ILE 28 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3kab n THR 29 N -3.52 0.00 -1.47 1.39 -2.24 -1.21 -4.22 114.28 103.02 3kab n THR 29 Ca -0.34 -0.15 -0.16 0.00 -2.27 0.00 0.00 64.05 61.13 3kab n THR 29 Cb 1.02 0.78 -0.07 0.00 -2.10 0.00 0.00 70.33 69.97 3kab n THR 29 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3kab n ASN 30 N -1.60 -4.94 -4.79 3.42 5.03 0.97 -1.06 115.26 112.30 3kab n ASN 30 Ca 0.02 0.40 -0.34 0.00 0.87 0.00 0.00 54.58 55.52 3kab n ASN 30 Cb 0.34 -3.85 -0.02 0.00 -1.02 0.00 0.00 39.78 35.23 3kab n ASN 30 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3kab s ALA 31 N -2.59 2.78 0.01 5.41 0.00 -1.22 -3.36 121.76 122.79 3kab s ALA 31 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.67 3kab s ALA 31 Cb 0.00 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 19.81 3kab s ALA 31 CO 0.00 -0.55 -0.02 -1.54 0.00 0.00 0.00 175.76 173.65 3kab s SER 32 N -1.90 0.17 0.09 0.00 1.04 -1.26 -0.39 113.70 111.46 3kab s SER 32 Ca 0.70 -0.14 -0.16 0.00 0.48 0.00 0.00 55.95 56.83 3kab s SER 32 Cb -0.20 0.01 0.03 0.00 0.10 0.00 0.00 66.02 65.96 3kab s SER 32 CO 0.24 -0.06 0.37 0.00 0.98 0.00 0.00 173.24 174.77 3kab s GLN 33 N -0.39 0.98 0.11 4.02 -2.07 -0.71 -5.01 119.66 116.59 3kab s GLN 33 Ca -0.03 -0.63 -0.11 0.00 -1.82 0.00 0.00 55.36 52.76 3kab s GLN 33 Cb -0.03 0.43 -0.12 0.00 -1.09 0.00 0.00 33.01 32.20 3kab s GLN 33 CO -0.00 -0.36 1.33 -1.49 -1.32 0.00 0.00 175.29 173.45 3kab h TRP 34 N 2.66 1.04 -3.92 9.60 4.06 -1.88 0.79 115.95 128.29 3kab h TRP 34 Ca -0.33 -0.45 -0.49 0.00 2.06 0.00 0.00 58.89 59.69 3kab h TRP 34 Cb 1.23 -0.17 0.02 0.00 -1.00 0.00 0.00 29.16 29.24 3kab h TRP 34 CO 0.37 1.27 0.42 -1.21 -3.56 0.00 0.00 178.44 175.73 3kab s GLU 35 N -3.80 4.29 0.11 0.49 8.01 -1.26 -4.51 118.70 122.04 3kab s GLU 35 Ca -0.10 1.56 -0.31 0.00 0.01 0.00 0.00 54.97 56.13 3kab s GLU 35 Cb 0.09 -2.69 -0.09 0.00 -4.31 0.00 0.00 34.13 27.13 3kab s GLU 35 CO 0.90 -0.04 1.59 0.50 0.01 0.00 0.00 175.26 178.22 3kab s ARG 36 N -2.25 4.22 0.04 1.61 3.52 -1.26 -4.68 118.95 120.15 3kab s ARG 36 Ca 0.54 2.31 -0.35 0.00 -0.13 0.00 0.00 55.73 58.11 3kab s ARG 36 Cb -0.24 -3.37 -0.14 0.00 -1.56 0.00 0.00 34.95 29.64 3kab s ARG 36 CO 0.30 -0.65 1.62 -0.35 -0.81 0.00 0.00 175.30 175.41 3kab n PRO 37 N 4.72 1.84 0.00 5.12 -0.04 -1.26 -5.16 135.00 140.21 3kab n PRO 37 Ca 0.14 0.67 0.00 0.00 -0.04 0.00 0.00 63.50 64.27 3kab n PRO 37 Cb 0.40 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 3kab n PRO 37 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3kab n SER 38 N 4.19 0.00 -3.91 3.54 3.41 -1.26 -4.77 113.62 114.82 3kab n SER 38 Ca 0.20 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.52 3kab n SER 38 Cb 0.25 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.04 3kab n SER 38 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3kab s GLU 51 N 0.00 1.53 0.88 4.33 2.12 -1.26 -5.11 118.70 121.19 3kab s GLU 51 Ca 0.00 -0.62 -0.10 0.00 0.36 0.00 0.00 54.97 54.60 3kab s GLU 51 Cb 0.00 -2.15 0.12 0.00 0.26 0.00 0.00 34.13 32.36 3kab s GLU 51 CO 0.00 -0.46 1.12 -1.25 -0.54 0.00 0.00 175.26 174.13 3kab s PRO 52 N 1.57 1.37 0.11 4.30 0.04 -1.26 -5.01 135.00 136.12 3kab s PRO 52 Ca -0.00 1.34 -0.12 0.00 0.04 0.00 0.00 61.00 62.25 3kab s PRO 52 Cb -0.16 -1.78 -0.13 0.00 0.04 0.00 0.00 34.50 32.47 3kab s PRO 52 CO -0.08 -2.32 1.34 0.00 0.04 0.00 0.00 177.00 175.99 3kab h ALA 53 N -1.63 0.37 -3.65 8.56 0.00 -2.04 -3.46 119.26 117.41 3kab h ALA 53 Ca -0.44 -0.57 -0.48 0.00 0.00 0.00 0.00 54.91 53.41 3kab h ALA 53 Cb 1.26 -0.04 -0.23 0.00 0.00 0.00 0.00 17.79 18.78 3kab h ALA 53 CO 0.46 0.68 -0.80 1.03 0.00 0.00 0.00 179.25 180.62 3kab s ARG 54 N -3.90 1.01 0.12 0.00 0.52 -1.26 -4.13 118.95 111.30 3kab s ARG 54 Ca -0.10 -0.97 0.03 0.00 -0.52 0.00 0.00 55.73 54.17 3kab s ARG 54 Cb 0.09 -1.10 -0.04 0.00 0.52 0.00 0.00 34.95 34.42 3kab s ARG 54 CO 0.90 0.26 -0.08 0.14 0.02 0.00 0.00 175.30 176.54 3kab s VAL 55 N -1.08 0.89 -0.04 3.52 -7.23 -0.31 -4.95 120.40 111.19 3kab s VAL 55 Ca 0.02 -1.95 0.07 0.00 -1.81 0.00 0.00 61.98 58.31 3kab s VAL 55 Cb -0.09 -1.71 -0.01 0.00 0.56 0.00 0.00 36.38 35.12 3kab s VAL 55 CO 0.03 -0.80 -0.25 -0.60 -0.31 0.00 0.00 175.10 173.17 3kab s ARG 56 N -3.71 2.35 0.03 4.82 3.52 0.10 -0.26 118.95 125.80 3kab s ARG 56 Ca 0.13 -0.90 -0.05 0.00 -0.13 0.00 0.00 55.73 54.79 3kab s ARG 56 Cb 0.04 -2.08 -0.01 0.00 -1.56 0.00 0.00 34.95 31.33 3kab s ARG 56 CO -0.02 0.44 0.07 0.00 -0.81 0.00 0.00 175.30 174.98 3kab s SER 58 N -1.83 4.64 0.08 0.00 0.01 -0.53 -1.27 113.70 114.79 3kab s SER 58 Ca -0.09 -1.22 -0.26 0.00 1.31 0.00 0.00 55.95 55.69 3kab s SER 58 Cb -0.04 0.33 0.08 0.00 0.21 0.00 0.00 66.02 66.61 3kab s SER 58 CO -0.02 -1.06 0.79 -1.38 0.41 0.00 0.00 173.24 171.97 3kab s HIS 59 N -2.75 -0.39 -0.13 2.43 -3.43 0.11 -1.47 115.29 109.66 3kab s HIS 59 Ca 0.35 0.20 -0.00 0.00 -0.80 0.00 0.00 55.06 54.81 3kab s HIS 59 Cb -0.02 0.56 0.02 0.00 -1.43 0.00 0.00 32.58 31.71 3kab s HIS 59 CO 0.21 -0.70 -0.11 -1.17 -2.00 0.00 0.00 174.74 170.97 3kab s LEU 60 N -2.63 1.44 -0.21 5.38 0.20 -0.57 -4.50 118.68 117.79 3kab s LEU 60 Ca 0.04 -0.40 -0.08 0.00 0.69 0.00 0.00 54.13 54.39 3kab s LEU 60 Cb -0.01 -1.02 -0.04 0.00 -0.43 0.00 0.00 46.19 44.69 3kab s LEU 60 CO -0.09 -0.09 0.08 -0.22 -0.29 0.00 0.00 176.35 175.75 3kab s LEU 61 N 1.59 3.77 -0.28 -0.68 2.96 -1.26 -1.11 118.68 123.67 3kab s LEU 61 Ca 0.05 0.01 -0.09 0.00 -0.22 0.00 0.00 54.13 53.88 3kab s LEU 61 Cb -0.13 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 3kab s LEU 61 CO -0.10 0.09 0.12 -0.69 -1.32 0.00 0.00 176.35 174.46 3kab s VAL 62 N 0.86 4.55 0.64 1.68 1.01 0.51 -0.46 120.40 129.19 3kab s VAL 62 Ca 0.04 -0.26 -0.05 0.00 0.00 0.00 0.00 61.98 61.71 3kab s VAL 62 Cb -0.13 -3.23 0.04 0.00 0.00 0.00 0.00 36.38 33.06 3kab s VAL 62 CO 0.03 0.20 0.94 -0.54 0.00 0.00 0.00 175.10 175.73 3kab s LYS 63 N 1.63 2.52 0.31 2.72 1.02 -1.26 -1.43 119.74 125.24 3kab s LYS 63 Ca 0.06 -0.22 -0.02 0.00 0.02 0.00 0.00 55.97 55.80 3kab s LYS 63 Cb -0.16 -2.25 -0.01 0.00 -0.52 0.00 0.00 37.83 34.89 3kab s LYS 63 CO 0.06 -0.97 0.41 -3.38 -0.92 0.00 0.00 175.35 170.54 3kab s HIS 64 N -3.09 1.07 0.51 3.18 -3.43 -1.26 -4.78 115.29 107.49 3kab s HIS 64 Ca 0.57 -1.27 0.25 0.00 -0.80 0.00 0.00 55.06 53.80 3kab s HIS 64 Cb -0.11 -0.19 1.35 0.00 -1.43 0.00 0.00 32.58 32.20 3kab s HIS 64 CO 0.44 -1.02 1.96 0.66 -2.00 0.00 0.00 174.74 174.78 3kab h SER 65 N 2.20 0.07 -0.40 7.38 4.64 -0.58 0.42 113.55 127.28 3kab h SER 65 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3kab h SER 65 Cb 1.24 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3kab h SER 65 CO 0.40 0.04 0.00 0.00 -0.87 0.00 0.00 176.83 176.39 3kab n GLN 66 N -4.38 2.61 -2.21 4.77 6.02 -1.26 -4.82 117.38 118.11 3kab n GLN 66 Ca 0.12 -1.71 -0.37 0.00 -0.01 0.00 0.00 57.00 55.03 3kab n GLN 66 Cb 0.66 -1.62 -0.01 0.00 1.02 0.00 0.00 30.24 30.29 3kab n GLN 66 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3kab s SER 67 N -0.75 6.16 0.21 1.08 0.01 0.15 -4.92 113.70 115.63 3kab s SER 67 Ca 0.31 2.37 -0.12 0.00 1.31 0.00 0.00 55.95 59.82 3kab s SER 67 Cb 0.20 -2.61 0.26 0.00 0.21 0.00 0.00 66.02 64.08 3kab s SER 67 CO 0.15 -0.93 1.29 -1.14 0.41 0.00 0.00 173.24 173.03 3kab n ARG 68 N -0.40 -0.15 -3.87 12.44 0.63 0.18 -3.25 116.66 122.24 3kab n ARG 68 Ca 0.07 1.29 -0.30 0.00 -0.92 0.00 0.00 57.85 57.98 3kab n ARG 68 Cb 0.47 -1.91 -0.14 0.00 0.45 0.00 0.00 32.46 31.33 3kab n ARG 68 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3kab s ARG 69 N -5.88 1.73 -0.09 -0.14 0.52 -1.26 -5.01 118.95 108.82 3kab s ARG 69 Ca -0.12 -2.40 -0.01 0.00 -0.52 0.00 0.00 55.73 52.68 3kab s ARG 69 Cb 0.19 -2.97 -0.04 0.00 0.52 0.00 0.00 34.95 32.64 3kab s ARG 69 CO 0.61 -1.13 1.20 -2.30 0.02 0.00 0.00 175.30 173.70 3kab n PRO 70 N 3.27 0.49 -3.72 3.54 -0.02 -1.20 -4.64 135.00 132.72 3kab n PRO 70 Ca 0.06 -0.38 -0.13 0.00 -2.02 0.00 0.00 63.50 61.03 3kab n PRO 70 Cb 0.33 -1.76 -0.10 0.00 -0.02 0.00 0.00 33.50 31.96 3kab n PRO 70 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3kab s SER 71 N 3.26 -0.47 0.17 2.55 0.15 -1.26 0.20 113.70 118.30 3kab s SER 71 Ca 0.13 0.91 -0.13 0.00 0.70 0.00 0.00 55.95 57.56 3kab s SER 71 Cb 0.06 0.92 0.01 0.00 -1.71 0.00 0.00 66.02 65.30 3kab s SER 71 CO -0.00 -0.16 0.40 -0.94 1.20 0.00 0.00 173.24 173.73 3kab s SER 72 N 0.21 -0.11 0.47 5.45 1.04 -0.33 -4.98 113.70 115.45 3kab s SER 72 Ca -0.00 -0.65 0.33 0.00 0.48 0.00 0.00 55.95 56.10 3kab s SER 72 Cb -0.03 0.50 1.46 0.00 0.10 0.00 0.00 66.02 68.05 3kab s SER 72 CO 0.01 -0.96 1.65 4.11 0.98 0.00 0.00 173.24 179.02 3kab h TRP 73 N 2.38 0.39 0.00 5.02 5.08 -1.92 -0.02 115.95 126.87 3kab h TRP 73 Ca -0.30 0.02 -0.16 0.00 1.08 0.00 0.00 58.89 59.52 3kab h TRP 73 Cb 1.24 -0.10 -0.02 0.00 -3.00 0.00 0.00 29.16 27.28 3kab h TRP 73 CO 0.37 -0.12 -0.78 0.00 -1.28 0.00 0.00 178.44 176.63 3kab h ARG 74 N 0.09 0.00 -1.78 0.12 3.08 -1.92 -3.45 114.38 110.52 3kab h ARG 74 Ca 0.79 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.93 3kab h ARG 74 Cb 2.64 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 32.48 3kab h ARG 74 CO -0.29 0.78 -0.12 -1.14 -1.07 0.00 0.00 179.97 178.14 3kab s GLN 75 N -3.12 0.55 0.10 0.04 0.74 -0.02 -5.08 119.66 112.88 3kab s GLN 75 Ca 0.00 1.34 -0.22 0.00 0.05 0.00 0.00 55.36 56.53 3kab s GLN 75 Cb 0.11 0.80 -0.11 0.00 1.10 0.00 0.00 33.01 34.90 3kab s GLN 75 CO 0.78 -0.24 1.73 1.49 -0.55 0.00 0.00 175.29 178.50 3kab h GLU 76 N 7.96 -0.03 -4.78 1.67 4.81 -1.88 -0.86 114.58 121.48 3kab h GLU 76 Ca -0.18 0.00 -0.68 0.00 -0.13 0.00 0.00 59.36 58.36 3kab h GLU 76 Cb 1.11 0.01 -0.31 0.00 0.63 0.00 0.00 28.75 30.18 3kab h GLU 76 CO 0.12 -0.02 -0.68 0.21 -0.73 0.00 0.00 179.01 177.91 3kab s LYS 77 N -6.19 2.60 -0.11 1.92 2.20 -1.26 -4.26 119.74 114.65 3kab s LYS 77 Ca -0.13 -1.16 -0.25 0.00 -0.36 0.00 0.00 55.97 54.07 3kab s LYS 77 Cb 0.07 -3.22 -0.03 0.00 -1.51 0.00 0.00 37.83 33.14 3kab s LYS 77 CO 0.67 -0.58 0.78 0.42 -0.36 0.00 0.00 175.35 176.28 3kab s ILE 78 N 1.32 4.96 0.00 5.43 -1.09 0.13 -4.94 121.20 127.01 3kab s ILE 78 Ca -0.03 1.57 0.00 0.00 -2.23 0.00 0.00 60.65 59.96 3kab s ILE 78 Cb -0.19 -4.10 0.00 0.00 -1.58 0.00 0.00 42.46 36.59 3kab s ILE 78 CO -0.00 0.15 0.07 0.35 -1.23 0.00 0.00 174.94 174.28 3kab n THR 79 N 4.21 0.00 -1.78 2.92 -2.24 -1.26 -4.09 114.28 112.04 3kab n THR 79 Ca 0.02 -0.46 -0.38 0.00 -2.27 0.00 0.00 64.05 60.95 3kab n THR 79 Cb 0.50 1.01 0.04 0.00 -2.10 0.00 0.00 70.33 69.79 3kab n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kab s ARG 80 N -0.79 3.12 0.66 -0.78 1.70 -1.26 -4.61 118.95 117.00 3kab s ARG 80 Ca 0.00 2.23 -0.11 0.00 -0.47 0.00 0.00 55.73 57.38 3kab s ARG 80 Cb 0.00 -2.24 -0.01 0.00 -0.57 0.00 0.00 34.95 32.12 3kab s ARG 80 CO 0.00 -1.20 1.05 0.95 -1.08 0.00 0.00 175.30 175.01 3kab s THR 81 N -1.30 4.24 0.30 4.99 -4.23 -1.26 -0.01 115.64 118.36 3kab s THR 81 Ca 0.72 0.76 0.17 0.00 -1.18 0.00 0.00 61.69 62.16 3kab s THR 81 Cb -0.40 -3.55 0.28 0.00 1.34 0.00 0.00 72.50 70.16 3kab s THR 81 CO 0.48 -0.92 1.27 1.17 -0.54 0.00 0.00 174.62 176.07 3kab n LYS 82 N -2.88 -0.05 0.06 3.99 4.81 -1.26 -1.78 118.16 121.05 3kab n LYS 82 Ca 0.07 1.11 -0.21 0.00 -0.87 0.00 0.00 58.31 58.41 3kab n LYS 82 Cb 0.54 -1.99 -0.15 0.00 0.02 0.00 0.00 35.03 33.45 3kab n LYS 82 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3kab h GLU 83 N 0.00 0.34 -0.50 1.64 3.07 -1.98 -1.76 114.58 115.38 3kab h GLU 83 Ca 0.68 -0.58 0.01 0.00 -0.50 0.00 0.00 59.36 58.97 3kab h GLU 83 Cb 1.80 0.22 -0.03 0.00 -0.84 0.00 0.00 28.75 29.90 3kab h GLU 83 CO -0.62 1.28 0.33 0.93 -1.40 0.00 0.00 179.01 179.53 3kab h GLU 84 N -0.28 0.64 -0.31 2.33 5.08 -1.89 -0.88 114.58 119.27 3kab h GLU 84 Ca -0.17 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.21 3kab h GLU 84 Cb 1.74 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 30.80 3kab h GLU 84 CO 0.17 0.43 -0.01 0.00 -1.00 0.00 0.00 179.01 178.60 3kab h ALA 85 N 1.19 0.27 -0.20 3.43 0.00 -1.37 -0.64 119.26 121.94 3kab h ALA 85 Ca 0.19 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3kab h ALA 85 Cb -0.06 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3kab h ALA 85 CO -0.05 -0.41 0.07 1.25 0.00 0.00 0.00 179.25 180.11 3kab h LEU 86 N 0.08 0.25 -0.63 0.00 5.85 -1.18 -0.00 115.31 119.68 3kab h LEU 86 Ca 0.15 -0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.73 3kab h LEU 86 Cb 0.21 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3kab h LEU 86 CO -0.26 0.24 -0.27 -0.33 -0.34 0.00 0.00 178.44 177.48 3kab h GLU 87 N 0.28 0.79 -0.17 1.25 4.39 -0.27 -1.77 114.58 119.08 3kab h GLU 87 Ca 0.07 -0.34 -0.06 0.00 0.34 0.00 0.00 59.36 59.36 3kab h GLU 87 Cb 0.08 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3kab h GLU 87 CO -0.01 0.97 -0.14 -0.07 -1.16 0.00 0.00 179.01 178.60 3kab h LEU 88 N 0.68 0.41 -0.31 1.33 3.38 -0.37 -1.91 115.31 118.52 3kab h LEU 88 Ca 0.08 -0.46 0.06 0.00 0.09 0.00 0.00 57.88 57.65 3kab h LEU 88 Cb 0.80 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.38 3kab h LEU 88 CO 0.07 0.79 -0.01 0.40 0.09 0.00 0.00 178.44 179.77 3kab h ILE 89 N 0.04 0.76 -0.62 1.22 1.08 -0.95 -1.46 117.51 117.58 3kab h ILE 89 Ca 0.03 -0.02 0.04 0.00 -0.39 0.00 0.00 64.86 64.52 3kab h ILE 89 Cb 0.67 0.68 -0.05 0.00 -3.07 0.00 0.00 36.82 35.05 3kab h ILE 89 CO 0.04 0.01 0.36 0.78 -0.69 0.00 0.00 178.15 178.65 3kab h ASN 90 N 0.07 0.55 -0.52 1.72 2.35 -1.24 0.48 115.58 118.99 3kab h ASN 90 Ca 0.15 0.02 0.07 0.00 -0.55 0.00 0.00 56.30 55.99 3kab h ASN 90 Cb 0.21 -0.09 -0.06 0.00 0.05 0.00 0.00 38.32 38.43 3kab h ASN 90 CO -0.26 0.37 0.20 1.23 -1.65 0.00 0.00 177.43 177.32 3kab h GLY 91 N 0.68 0.70 1.52 2.83 0.00 -0.97 -0.04 103.07 107.80 3kab h GLY 91 Ca 0.27 -0.12 -0.20 0.00 0.00 0.00 0.00 47.33 47.28 3kab h GLY 91 CO -0.15 0.02 -0.81 -0.97 0.00 0.00 0.00 176.54 174.63 3kab h TYR 92 N 0.39 0.63 -0.62 5.60 0.99 -0.56 -1.23 116.97 122.17 3kab h TYR 92 Ca 0.25 -0.30 -0.02 0.00 2.00 0.00 0.00 58.73 60.65 3kab h TYR 92 Cb 0.25 -0.09 -0.03 0.00 1.00 0.00 0.00 36.73 37.86 3kab h TYR 92 CO -0.15 1.09 0.32 0.82 -0.00 0.00 0.00 178.16 180.24 3kab h ILE 93 N 0.29 1.21 -0.41 -2.88 2.04 -0.52 -1.03 117.51 116.22 3kab h ILE 93 Ca -0.05 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 3kab h ILE 93 Cb 1.42 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 3kab h ILE 93 CO 0.14 0.24 0.21 1.56 0.00 0.00 0.00 178.15 180.30 3kab h GLN 94 N 0.85 0.57 -0.52 2.37 4.20 -0.69 0.11 115.11 122.01 3kab h GLN 94 Ca 0.22 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 3kab h GLN 94 Cb 0.09 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 3kab h GLN 94 CO -0.03 0.48 0.15 0.87 -0.67 0.00 0.00 178.83 179.63 3kab h LYS 95 N 0.52 0.78 -0.25 1.46 1.57 -1.03 -0.87 116.57 118.75 3kab h LYS 95 Ca 0.14 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3kab h LYS 95 Cb 0.08 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3kab h LYS 95 CO -0.02 0.68 -0.03 0.82 -0.57 0.00 0.00 179.45 180.33 3kab h ILE 96 N 0.76 1.27 -0.31 1.86 2.04 -0.65 -1.95 117.51 120.52 3kab h ILE 96 Ca 0.17 -0.99 -0.06 0.00 1.00 0.00 0.00 64.86 64.98 3kab h ILE 96 Cb 0.24 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 3kab h ILE 96 CO -0.01 0.31 -0.08 0.11 0.00 0.00 0.00 178.15 178.48 3kab h LYS 97 N 0.22 0.52 0.00 2.37 1.57 -0.74 -1.35 116.57 119.16 3kab h LYS 97 Ca 0.07 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3kab h LYS 97 Cb 0.47 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3kab h LYS 97 CO 0.02 0.60 -0.01 0.66 -0.57 0.00 0.00 179.45 180.15 3kab h SER 98 N 0.48 0.00 0.00 0.86 4.64 -1.19 -3.47 113.55 114.88 3kab h SER 98 Ca 0.09 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3kab h SER 98 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3kab h SER 98 CO 0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 3kab n GLY 99 N 1.25 0.79 0.26 -0.77 0.00 -0.51 -4.91 105.19 101.30 3kab n GLY 99 Ca 0.05 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.25 3kab n GLY 99 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kab h GLU 100 N 3.61 0.00 -2.79 1.61 5.08 -1.62 -3.43 114.58 117.05 3kab h GLU 100 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 3kab h GLU 100 Cb 0.00 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.04 3kab h GLU 100 CO 0.00 0.00 -0.19 -1.21 -1.00 0.00 0.00 179.01 176.61 3kab s GLU 101 N -3.74 0.68 0.23 2.33 0.41 -1.08 -5.04 118.70 112.49 3kab s GLU 101 Ca -0.01 0.09 0.06 0.00 -0.41 0.00 0.00 54.97 54.71 3kab s GLU 101 Cb 0.10 0.31 -0.04 0.00 -1.78 0.00 0.00 34.13 32.73 3kab s GLU 101 CO 0.44 -0.17 0.21 0.16 -0.49 0.00 0.00 175.26 175.41 3kab s ASP 102 N -0.88 5.65 0.22 -0.19 3.84 -1.26 -3.98 116.67 120.07 3kab s ASP 102 Ca -0.09 -0.17 -0.12 0.00 -0.00 0.00 0.00 52.55 52.16 3kab s ASP 102 Cb -0.04 -1.49 0.29 0.00 -1.38 0.00 0.00 42.92 40.30 3kab s ASP 102 CO 0.04 -0.02 1.63 0.15 -0.00 0.00 0.00 175.17 176.97 3kab h PHE 103 N 1.62 -0.25 -0.00 2.11 3.57 -1.95 -0.83 116.94 121.21 3kab h PHE 103 Ca -0.49 0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.01 3kab h PHE 103 Cb 1.23 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 40.17 3kab h PHE 103 CO 0.54 -0.26 -0.27 0.93 -2.23 0.00 0.00 178.31 177.03 3kab h GLU 104 N 0.03 0.00 -0.05 1.11 3.07 -1.95 0.79 114.58 117.59 3kab h GLU 104 Ca 0.33 -0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 59.04 3kab h GLU 104 Cb 0.53 -0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.45 3kab h GLU 104 CO -0.65 0.27 -0.56 1.03 -1.40 0.00 0.00 179.01 177.71 3kab h SER 105 N 0.00 0.58 0.72 1.42 0.87 -1.51 -1.24 113.55 114.39 3kab h SER 105 Ca -0.00 -0.70 -0.13 0.00 -1.23 0.00 0.00 61.79 59.73 3kab h SER 105 Cb 0.47 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 3kab h SER 105 CO 0.03 1.19 -0.60 -0.07 -0.53 0.00 0.00 176.83 176.86 3kab h LEU 106 N 0.02 0.00 -0.23 2.23 3.38 -1.00 -2.15 115.31 117.56 3kab h LEU 106 Ca -0.05 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3kab h LEU 106 Cb 1.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 3kab h LEU 106 CO 0.11 0.60 -0.09 0.00 0.09 0.00 0.00 178.44 179.15 3kab h ALA 107 N 1.40 0.32 -0.79 1.53 0.00 -0.82 0.18 119.26 121.08 3kab h ALA 107 Ca -0.01 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 54.69 3kab h ALA 107 Cb 1.12 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 3kab h ALA 107 CO 0.08 0.14 0.46 0.77 0.00 0.00 0.00 179.25 180.70 3kab h SER 108 N 0.18 0.69 0.34 0.00 0.02 -1.18 -2.38 113.55 111.22 3kab h SER 108 Ca 0.05 0.03 -0.33 0.00 -0.84 0.00 0.00 61.79 60.71 3kab h SER 108 Cb 0.57 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 3kab h SER 108 CO 0.03 0.43 -1.68 1.56 -1.14 0.00 0.00 176.83 176.04 3kab h GLN 109 N 0.82 0.27 0.00 3.45 4.20 -1.35 -3.44 115.11 119.07 3kab h GLN 109 Ca 0.36 -0.46 0.00 0.00 0.06 0.00 0.00 58.65 58.61 3kab h GLN 109 Cb 0.23 0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3kab h GLN 109 CO -0.20 1.13 -0.17 1.19 -0.67 0.00 0.00 178.83 180.11 3kab n PHE 110 N -3.46 0.00 -2.34 2.96 0.99 0.05 -5.03 117.46 110.63 3kab n PHE 110 Ca -0.21 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 56.83 3kab n PHE 110 Cb 1.05 -0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 39.50 3kab n PHE 110 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 3kab s SER 111 N -1.29 7.05 -0.15 4.37 0.15 -0.90 -4.84 113.70 118.10 3kab s SER 111 Ca 0.01 2.32 0.06 0.00 0.70 0.00 0.00 55.95 59.04 3kab s SER 111 Cb 0.02 -2.62 0.41 0.00 -1.71 0.00 0.00 66.02 62.12 3kab s SER 111 CO 0.10 -0.37 1.23 0.47 1.20 0.00 0.00 173.24 175.87 3kab n ASP 112 N 2.08 3.46 -4.60 5.45 8.00 0.40 -4.78 116.55 126.56 3kab n ASP 112 Ca 0.03 -2.57 -0.27 0.00 0.71 0.00 0.00 54.79 52.70 3kab n ASP 112 Cb 0.44 -0.62 -0.09 0.00 -0.02 0.00 0.00 41.12 40.84 3kab n ASP 112 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kab n SER 114 N -0.04 0.33 0.00 0.00 3.41 -1.26 -2.46 113.62 113.60 3kab n SER 114 Ca -0.10 -0.57 0.07 0.00 -0.26 0.00 0.00 58.87 58.01 3kab n SER 114 Cb 0.56 -0.11 0.36 0.00 -0.26 0.00 0.00 64.21 64.75 3kab n SER 114 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3kab n SER 115 N -1.00 0.00 -0.32 4.04 3.41 -1.26 -1.97 113.62 116.52 3kab n SER 115 Ca 0.16 -0.00 0.19 0.00 -0.26 0.00 0.00 58.87 58.95 3kab n SER 115 Cb 0.25 -0.24 0.44 0.00 -0.26 0.00 0.00 64.21 64.40 3kab n SER 115 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kab h ALA 116 N 2.69 2.01 -0.04 7.33 0.00 -1.73 0.27 119.26 129.79 3kab h ALA 116 Ca 0.00 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3kab h ALA 116 Cb 0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3kab h ALA 116 CO 0.00 -0.40 0.05 0.87 0.00 0.00 0.00 179.25 179.77 3kab h LYS 117 N 0.53 0.00 -1.04 0.00 6.56 -1.67 -2.36 116.57 118.59 3kab h LYS 117 Ca 0.58 0.00 -0.64 0.00 -1.06 0.00 0.00 60.65 59.52 3kab h LYS 117 Cb 1.25 0.00 -0.34 0.00 -0.57 0.00 0.00 32.23 32.57 3kab h LYS 117 CO -0.33 0.00 0.30 0.00 -2.06 0.00 0.00 179.45 177.36 3kab n ALA 118 N -2.32 5.90 -3.38 3.86 0.00 -0.09 -4.87 120.51 119.61 3kab n ALA 118 Ca -0.02 -3.68 -0.23 0.00 0.00 0.00 0.00 53.44 49.52 3kab n ALA 118 Cb 0.14 -1.29 -0.01 0.00 0.00 0.00 0.00 19.45 18.29 3kab n ALA 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kab n ARG 119 N -0.80 -3.18 -0.98 0.00 1.74 -0.89 -0.85 116.66 111.70 3kab n ARG 119 Ca 0.55 0.43 0.00 0.00 -0.77 0.00 0.00 57.85 58.06 3kab n ARG 119 Cb 0.72 -5.12 0.00 0.00 -1.02 0.00 0.00 32.46 27.04 3kab n ARG 119 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kab n GLY 120 N -1.13 0.61 3.73 -0.13 0.00 0.77 -4.68 105.19 104.37 3kab n GLY 120 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3kab n GLY 120 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kab s ASP 121 N -2.32 7.04 0.00 1.61 2.15 -0.03 -0.71 116.67 124.41 3kab s ASP 121 Ca 0.00 2.24 0.07 0.00 0.43 0.00 0.00 52.55 55.29 3kab s ASP 121 Cb 0.00 -2.60 0.10 0.00 -0.30 0.00 0.00 42.92 40.12 3kab s ASP 121 CO 0.00 -0.42 0.87 0.18 -0.17 0.00 0.00 175.17 175.63 3kab n LEU 122 N 2.73 1.92 0.00 -1.34 4.77 -0.40 -4.81 117.00 119.87 3kab n LEU 122 Ca 0.05 -1.32 0.02 0.00 -0.03 0.00 0.00 56.01 54.74 3kab n LEU 122 Cb 0.44 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3kab n LEU 122 CO 0.56 0.43 -0.03 0.61 -1.33 0.00 0.00 177.39 177.63 3kab n GLY 123 N 0.33 -2.15 3.87 -0.72 0.00 -1.25 -4.88 105.19 100.39 3kab n GLY 123 Ca 0.05 -1.45 -0.30 0.00 0.00 0.00 0.00 46.02 44.31 3kab n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kab s ALA 124 N -1.16 3.27 0.09 4.61 0.00 -1.26 -3.61 121.76 123.70 3kab s ALA 124 Ca 0.00 -0.14 -0.24 0.00 0.00 0.00 0.00 51.96 51.58 3kab s ALA 124 Cb 0.00 -2.82 0.06 0.00 0.00 0.00 0.00 23.12 20.36 3kab s ALA 124 CO 0.00 -0.17 0.59 -0.59 0.00 0.00 0.00 175.76 175.59 3kab s PHE 125 N -2.56 -0.52 0.52 0.00 -0.12 0.64 -4.96 117.98 110.99 3kab s PHE 125 Ca 0.53 0.49 0.05 0.00 -0.05 0.00 0.00 56.93 57.95 3kab s PHE 125 Cb -0.10 0.47 0.02 0.00 -0.63 0.00 0.00 43.02 42.77 3kab s PHE 125 CO 0.35 -0.75 0.32 -1.54 -0.05 0.00 0.00 175.22 173.55 3kab s SER 126 N -2.29 4.55 0.48 1.98 1.04 -1.26 -1.17 113.70 117.03 3kab s SER 126 Ca -0.02 -1.27 -0.24 0.00 0.48 0.00 0.00 55.95 54.90 3kab s SER 126 Cb -0.01 0.29 -0.07 0.00 0.10 0.00 0.00 66.02 66.33 3kab s SER 126 CO -0.06 -0.98 1.33 -0.13 0.98 0.00 0.00 173.24 174.38 3kab s ARG 127 N -4.17 3.53 0.00 4.02 0.52 -1.26 -3.40 118.95 118.19 3kab s ARG 127 Ca 0.31 2.18 0.00 0.00 -0.52 0.00 0.00 55.73 57.70 3kab s ARG 127 Cb -0.01 -2.47 0.00 0.00 0.52 0.00 0.00 34.95 32.99 3kab s ARG 127 CO 0.19 -0.86 0.00 0.41 0.02 0.00 0.00 175.30 175.06 3kab n GLY 128 N 0.63 0.38 0.03 -3.53 0.00 -1.26 -4.95 105.19 96.49 3kab n GLY 128 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 3kab n GLY 128 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kab n GLN 129 N -1.53 1.62 -4.09 1.61 6.02 -1.22 -5.04 117.38 114.76 3kab n GLN 129 Ca 0.00 -0.04 -0.23 0.00 -0.01 0.00 0.00 57.00 56.72 3kab n GLN 129 Cb 0.00 -1.24 -0.04 0.00 1.02 0.00 0.00 30.24 29.98 3kab n GLN 129 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3kab s MET 130 N -2.41 2.99 0.19 -1.09 -1.94 -1.26 -5.06 119.30 110.71 3kab s MET 130 Ca -0.04 -0.97 -0.32 0.00 -1.71 0.00 0.00 55.69 52.64 3kab s MET 130 Cb 0.04 -2.63 -0.15 0.00 2.01 0.00 0.00 34.83 34.10 3kab s MET 130 CO 0.40 0.42 1.15 1.04 -0.01 0.00 0.00 175.02 178.02 3kab n GLN 131 N -1.02 1.20 -0.24 2.03 6.02 -1.26 -4.62 117.38 119.48 3kab n GLN 131 Ca -0.08 0.43 0.02 0.00 -0.01 0.00 0.00 57.00 57.36 3kab n GLN 131 Cb 0.57 -1.91 0.14 0.00 1.02 0.00 0.00 30.24 30.06 3kab n GLN 131 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 3kab h LYS 132 N 3.25 0.51 -0.47 -1.09 1.63 -1.98 0.91 116.57 119.33 3kab h LYS 132 Ca -0.43 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.31 3kab h LYS 132 Cb 1.34 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.84 3kab h LYS 132 CO 0.69 0.34 0.19 -1.35 -3.45 0.00 0.00 179.45 175.86 3kab h PRO 133 N 0.52 0.71 -0.62 1.90 0.11 -1.90 0.17 132.00 132.89 3kab h PRO 133 Ca 0.36 -0.13 0.03 0.00 0.11 0.00 0.00 66.00 66.36 3kab h PRO 133 Cb 0.43 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 31.39 3kab h PRO 133 CO -0.31 0.64 0.38 0.35 -0.21 0.00 0.00 178.00 178.86 3kab h PHE 134 N 0.62 0.72 -0.14 0.65 3.57 -1.75 -0.62 116.94 119.99 3kab h PHE 134 Ca 0.16 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 3kab h PHE 134 Cb 0.20 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 3kab h PHE 134 CO 0.00 0.41 0.05 1.49 -2.23 0.00 0.00 178.31 178.03 3kab h GLU 135 N 0.75 0.21 -0.33 1.11 4.81 -0.50 -0.88 114.58 119.74 3kab h GLU 135 Ca 0.25 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.45 3kab h GLU 135 Cb 0.03 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3kab h GLU 135 CO -0.11 0.33 0.20 -0.44 -0.73 0.00 0.00 179.01 178.27 3kab h ASP 136 N 0.05 0.34 -0.31 1.04 3.32 -0.41 -1.16 116.42 119.28 3kab h ASP 136 Ca 0.04 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.11 3kab h ASP 136 Cb 0.21 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 3kab h ASP 136 CO -0.00 0.25 0.15 0.00 -1.72 0.00 0.00 179.24 177.92 3kab h ALA 137 N 1.14 0.38 -0.76 3.45 0.00 -1.12 -0.83 119.26 121.52 3kab h ALA 137 Ca 0.13 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3kab h ALA 137 Cb -0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3kab h ALA 137 CO -0.05 -0.23 0.46 0.77 0.00 0.00 0.00 179.25 180.20 3kab h SER 138 N 0.32 0.91 1.44 0.00 0.02 -0.51 -1.78 113.55 113.95 3kab h SER 138 Ca 0.13 -0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 3kab h SER 138 Cb 0.04 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 3kab h SER 138 CO -0.09 0.70 -0.58 -0.26 -1.14 0.00 0.00 176.83 175.46 3kab h PHE 139 N 1.05 0.00 0.00 3.45 -1.00 -1.05 -3.20 116.94 116.19 3kab h PHE 139 Ca 0.27 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.05 3kab h PHE 139 Cb -0.04 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.52 3kab h PHE 139 CO 0.00 0.39 -0.00 0.00 -1.61 0.00 0.00 178.31 177.09 3kab h ALA 140 N 1.61 1.00 -2.36 2.45 0.00 -0.87 -3.46 119.26 117.64 3kab h ALA 140 Ca -0.03 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.40 3kab h ALA 140 Cb 1.32 0.00 0.05 0.00 0.00 0.00 0.00 17.79 19.16 3kab h ALA 140 CO 0.05 0.00 0.38 -0.51 0.00 0.00 0.00 179.25 179.17 3kab s LEU 141 N -4.80 3.66 0.40 0.00 1.43 -0.69 -4.96 118.68 113.71 3kab s LEU 141 Ca 0.10 1.89 0.02 0.00 -1.03 0.00 0.00 54.13 55.11 3kab s LEU 141 Cb 0.11 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.78 3kab s LEU 141 CO 0.61 -1.01 0.60 -0.13 0.23 0.00 0.00 176.35 176.64 3kab s ARG 142 N -3.67 3.12 0.21 1.70 3.00 -1.26 -5.00 118.95 117.05 3kab s ARG 142 Ca 0.66 -0.63 -0.32 0.00 0.00 0.00 0.00 55.73 55.43 3kab s ARG 142 Cb -0.17 -2.65 -0.14 0.00 0.00 0.00 0.00 34.95 31.99 3kab s ARG 142 CO 0.29 -0.12 1.42 2.41 0.00 0.00 0.00 175.30 179.30 3kab n THR 143 N -1.91 0.68 0.00 0.02 -1.04 -1.26 -1.37 114.28 109.39 3kab n THR 143 Ca 0.00 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 3kab n THR 143 Cb 0.58 -1.41 0.00 0.00 -1.82 0.00 0.00 70.33 67.68 3kab n THR 143 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kab n GLY 144 N 2.45 3.28 3.88 3.41 0.00 0.18 -5.01 105.19 113.39 3kab n GLY 144 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 3kab n GLY 144 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kab s GLU 145 N -0.58 3.70 -0.03 1.61 2.02 -0.47 -4.78 118.70 120.17 3kab s GLU 145 Ca 0.00 0.45 0.07 0.00 0.02 0.00 0.00 54.97 55.51 3kab s GLU 145 Cb 0.00 -2.34 -0.02 0.00 0.10 0.00 0.00 34.13 31.87 3kab s GLU 145 CO 0.00 -0.15 -0.25 1.41 0.02 0.00 0.00 175.26 176.29 3kab s MET 146 N -4.25 2.15 0.88 1.61 -2.45 -1.26 -1.20 119.30 114.78 3kab s MET 146 Ca 0.51 -0.90 -0.12 0.00 -1.25 0.00 0.00 55.69 53.93 3kab s MET 146 Cb -0.10 -2.01 0.12 0.00 1.25 0.00 0.00 34.83 34.09 3kab s MET 146 CO 0.37 0.51 1.13 -1.54 1.05 0.00 0.00 175.02 176.54 3kab s SER 147 N -0.50 3.74 0.00 1.11 1.04 -0.07 -4.75 113.70 114.27 3kab s SER 147 Ca 0.07 1.00 0.00 0.00 0.48 0.00 0.00 55.95 57.50 3kab s SER 147 Cb -0.11 -1.60 0.00 0.00 0.10 0.00 0.00 66.02 64.41 3kab s SER 147 CO 0.00 -2.41 0.00 0.61 0.98 0.00 0.00 173.24 172.42 3kab n GLY 148 N -2.28 0.85 3.71 7.32 0.00 -0.22 -4.50 105.19 110.07 3kab n GLY 148 Ca 0.07 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 3kab n GLY 148 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kab s PRO 149 N 1.42 4.35 -0.13 1.61 0.02 -1.26 -4.49 135.00 136.52 3kab s PRO 149 Ca 0.00 1.94 0.02 0.00 0.02 0.00 0.00 61.00 62.98 3kab s PRO 149 Cb 0.00 -3.34 -0.00 0.00 0.02 0.00 0.00 34.50 31.18 3kab s PRO 149 CO 0.00 -0.40 -0.20 0.08 -0.33 0.00 0.00 177.00 176.16 3kab s VAL 150 N 1.32 2.35 -0.14 3.83 1.01 -0.54 -4.73 120.40 123.50 3kab s VAL 150 Ca 0.62 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.65 3kab s VAL 150 Cb -0.33 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 3kab s VAL 150 CO 0.29 0.54 0.06 -0.36 0.00 0.00 0.00 175.10 175.63 3kab s PHE 151 N 0.58 3.29 0.32 5.22 0.40 -1.26 -0.44 117.98 126.08 3kab s PHE 151 Ca -0.11 0.19 0.06 0.00 -0.60 0.00 0.00 56.93 56.47 3kab s PHE 151 Cb -0.16 -1.96 -0.03 0.00 0.51 0.00 0.00 43.02 41.37 3kab s PHE 151 CO 0.03 0.36 0.26 0.95 0.70 0.00 0.00 175.22 177.53 3kab s THR 152 N -0.29 0.01 -0.68 0.64 -4.23 -0.18 -4.71 115.64 106.20 3kab s THR 152 Ca 0.08 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 58.79 3kab s THR 152 Cb -0.12 -2.50 0.20 0.00 1.34 0.00 0.00 72.50 71.42 3kab s THR 152 CO 0.02 0.00 1.62 0.47 -0.54 0.00 0.00 174.62 176.18 3kab n ASP 153 N -1.42 0.42 0.17 3.99 8.00 -1.26 -2.13 116.55 124.31 3kab n ASP 153 Ca 0.07 0.60 0.04 0.00 0.71 0.00 0.00 54.79 56.21 3kab n ASP 153 Cb 0.63 -0.69 0.19 0.00 -0.02 0.00 0.00 41.12 41.22 3kab n ASP 153 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3kab h SER 154 N 0.00 0.00 0.00 -2.24 0.02 -1.94 0.52 113.55 109.91 3kab h SER 154 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kab h SER 154 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 3kab h SER 154 CO 0.00 0.43 0.00 0.61 -1.14 0.00 0.00 176.83 176.73 3kab n GLY 155 N 0.74 0.26 3.18 -3.77 0.00 -0.90 -4.60 105.19 100.08 3kab n GLY 155 Ca 0.01 -1.11 -0.33 0.00 0.00 0.00 0.00 46.02 44.60 3kab n GLY 155 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kab s ILE 156 N -4.00 2.09 0.06 -0.61 1.01 -0.52 -1.01 121.20 118.22 3kab s ILE 156 Ca 0.00 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.71 3kab s ILE 156 Cb 0.00 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 3kab s ILE 156 CO 0.00 0.55 0.04 -1.00 0.00 0.00 0.00 174.94 174.52 3kab s HIS 157 N 0.80 3.11 -0.16 3.97 3.76 0.41 -0.36 115.29 126.81 3kab s HIS 157 Ca -0.07 0.05 -0.04 0.00 -0.15 0.00 0.00 55.06 54.85 3kab s HIS 157 Cb -0.16 -1.61 -0.03 0.00 1.11 0.00 0.00 32.58 31.89 3kab s HIS 157 CO -0.01 0.50 -0.02 0.42 -0.85 0.00 0.00 174.74 174.77 3kab s ILE 158 N -1.28 4.00 -0.09 0.60 1.01 -0.27 -1.46 121.20 123.70 3kab s ILE 158 Ca 0.25 -0.32 0.02 0.00 0.00 0.00 0.00 60.65 60.61 3kab s ILE 158 Cb -0.12 -2.76 -0.02 0.00 0.01 0.00 0.00 42.46 39.58 3kab s ILE 158 CO 0.18 0.49 -0.16 -0.63 0.00 0.00 0.00 174.94 174.81 3kab s ILE 159 N 0.38 2.80 -0.16 2.92 1.01 -1.26 -1.51 121.20 125.38 3kab s ILE 159 Ca -0.03 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 59.86 3kab s ILE 159 Cb -0.14 -2.12 0.01 0.00 0.01 0.00 0.00 42.46 40.22 3kab s ILE 159 CO 0.03 0.55 -0.20 -0.22 0.00 0.00 0.00 174.94 175.10 3kab s LEU 160 N -0.05 2.17 -0.32 2.97 2.96 -0.54 -0.89 118.68 124.98 3kab s LEU 160 Ca -0.04 -0.60 -0.23 0.00 -0.22 0.00 0.00 54.13 53.04 3kab s LEU 160 Cb -0.14 -1.48 0.00 0.00 0.50 0.00 0.00 46.19 45.07 3kab s LEU 160 CO 0.04 0.05 0.78 -0.60 -1.32 0.00 0.00 176.35 175.30 3kab s ARG 161 N 1.00 3.91 -0.00 1.98 3.52 -0.34 -1.45 118.95 127.56 3kab s ARG 161 Ca -0.02 0.50 0.18 0.00 -0.13 0.00 0.00 55.73 56.26 3kab s ARG 161 Cb -0.15 -3.75 -0.20 0.00 -1.56 0.00 0.00 34.95 29.29 3kab s ARG 161 CO -0.06 -0.72 0.73 0.25 -0.81 0.00 0.00 175.30 174.70 3kab n THR 162 N 5.60 0.00 -1.36 4.11 -2.24 0.63 0.52 114.28 121.54 3kab n THR 162 Ca 0.03 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 3kab n THR 162 Cb 0.48 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 3kab n THR 162 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88