#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2e h LYS 2 N 0.00 0.46 -5.70 0.03 1.57 -2.05 -3.41 116.57 107.47 2k2e h LYS 2 Ca 0.00 -0.50 -0.35 0.00 -1.87 0.00 0.00 60.65 57.94 2k2e h LYS 2 Cb 0.00 0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.40 2k2e h LYS 2 CO 0.00 1.14 0.95 -0.51 -0.57 0.00 0.00 179.45 180.46 2k2e s LEU 3 N -7.80 3.20 0.00 2.94 1.43 -1.26 -2.85 118.68 114.35 2k2e s LEU 3 Ca -0.06 -1.06 0.00 0.00 -1.03 0.00 0.00 54.13 51.97 2k2e s LEU 3 Cb 0.08 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.74 2k2e s LEU 3 CO 0.88 -2.64 0.00 1.57 0.23 0.00 0.00 176.35 176.39 2k2e n HIS 4 N 13.34 0.00 0.09 0.29 -0.00 -1.26 -4.91 115.22 122.78 2k2e n HIS 4 Ca 0.41 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 58.36 2k2e n HIS 4 Cb 0.47 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 30.19 2k2e n HIS 4 CO 0.00 0.00 0.00 1.15 0.46 0.00 0.00 176.34 177.95 2k2e h THR 5 N 0.00 1.32 -4.04 3.57 2.02 -1.84 -3.45 112.91 110.48 2k2e h THR 5 Ca 0.00 -2.60 -0.49 0.00 0.77 0.00 0.00 66.41 64.09 2k2e h THR 5 Cb 0.00 3.06 0.05 0.00 -1.74 0.00 0.00 68.15 69.51 2k2e h THR 5 CO 0.00 0.77 0.43 -1.81 0.37 0.00 0.00 175.52 175.28 2k2e s ASP 6 N -7.29 6.20 0.53 4.18 1.11 -1.25 -4.90 116.67 115.26 2k2e s ASP 6 Ca -0.12 2.11 -0.21 0.00 0.18 0.00 0.00 52.55 54.50 2k2e s ASP 6 Cb 0.03 -2.58 -0.05 0.00 1.07 0.00 0.00 42.92 41.39 2k2e s ASP 6 CO 0.88 -0.88 1.28 -2.16 1.18 0.00 0.00 175.17 175.47 2k2e s PRO 7 N -2.99 3.26 0.00 8.23 0.04 -1.26 -4.89 135.00 137.40 2k2e s PRO 7 Ca 0.66 2.05 0.30 0.00 0.04 0.00 0.00 61.00 64.05 2k2e s PRO 7 Cb -0.22 -2.24 1.62 0.00 0.04 0.00 0.00 34.50 33.70 2k2e s PRO 7 CO 0.27 -1.04 2.06 0.00 0.04 0.00 0.00 177.00 178.33 2k2e n ALA 8 N -0.99 2.65 -2.60 8.56 0.00 -1.26 -4.75 120.51 122.11 2k2e n ALA 8 Ca 0.10 -0.26 -0.33 0.00 0.00 0.00 0.00 53.44 52.95 2k2e n ALA 8 Cb 0.47 -1.41 -0.13 0.00 0.00 0.00 0.00 19.45 18.38 2k2e n ALA 8 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2k2e s THR 9 N -1.99 3.24 -1.54 0.00 -4.23 -1.26 -5.03 115.64 104.83 2k2e s THR 9 Ca 0.44 -0.64 -0.12 0.00 -1.18 0.00 0.00 61.69 60.19 2k2e s THR 9 Cb 0.21 -2.30 -0.02 0.00 1.34 0.00 0.00 72.50 71.73 2k2e s THR 9 CO 0.35 0.58 2.58 0.00 -0.54 0.00 0.00 174.62 177.59 2k2e n ALA 10 N 2.50 6.55 0.00 3.99 0.00 -1.26 -3.22 120.51 129.07 2k2e n ALA 10 Ca -0.17 -3.72 0.00 0.00 0.00 0.00 0.00 53.44 49.54 2k2e n ALA 10 Cb 0.52 -3.44 0.00 0.00 0.00 0.00 0.00 19.45 16.53 2k2e n ALA 10 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k2e n LEU 11 N 4.78 0.00 -1.55 0.00 4.77 -1.26 -4.95 117.00 118.79 2k2e n LEU 11 Ca 0.65 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 56.46 2k2e n LEU 11 Cb 0.31 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.35 2k2e n LEU 11 CO 0.88 0.00 -0.18 0.59 -1.33 0.00 0.00 177.39 177.34 2k2e n ASN 12 N -1.10 -5.05 -4.78 -1.43 4.13 -1.20 -3.96 115.26 101.88 2k2e n ASN 12 Ca 0.00 0.26 -0.41 0.00 1.68 0.00 0.00 54.58 56.11 2k2e n ASN 12 Cb 0.00 -4.09 -0.01 0.00 -1.54 0.00 0.00 39.78 34.15 2k2e n ASN 12 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2k2e s THR 13 N -2.72 2.18 -0.48 3.41 2.01 -1.26 -4.89 115.64 113.90 2k2e s THR 13 Ca 0.00 0.18 -0.27 0.00 0.31 0.00 0.00 61.69 61.91 2k2e s THR 13 Cb 0.00 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 2k2e s THR 13 CO 0.00 0.04 2.04 -0.69 -0.69 0.00 0.00 174.62 175.32 2k2e s VAL 14 N -1.06 3.25 0.23 3.82 1.01 -1.26 -4.76 120.40 121.64 2k2e s VAL 14 Ca 0.53 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.71 2k2e s VAL 14 Cb -0.45 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 2k2e s VAL 14 CO 0.60 -0.46 1.59 0.71 0.00 0.00 0.00 175.10 177.54 2k2e h THR 15 N 7.12 1.33 -2.54 3.92 1.35 -1.87 -3.46 112.91 118.76 2k2e h THR 15 Ca -0.28 -1.70 -0.09 0.00 -0.55 0.00 0.00 66.41 63.78 2k2e h THR 15 Cb 1.20 1.74 -0.20 0.00 -1.73 0.00 0.00 68.15 69.16 2k2e h THR 15 CO 1.14 0.52 -0.06 0.00 -0.25 0.00 0.00 175.52 176.87 2k2e s ALA 16 N -4.05 -1.25 -0.08 6.62 0.00 -0.22 -5.04 121.76 117.74 2k2e s ALA 16 Ca -0.06 0.85 0.05 0.00 0.00 0.00 0.00 51.96 52.80 2k2e s ALA 16 Cb 0.12 -0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.19 2k2e s ALA 16 CO 0.81 -0.31 -0.24 -0.47 0.00 0.00 0.00 175.76 175.55 2k2e s TYR 17 N -1.12 2.50 0.38 0.00 5.04 -1.26 -0.68 117.35 122.21 2k2e s TYR 17 Ca -0.11 -0.91 0.05 0.00 -2.44 0.00 0.00 57.07 53.66 2k2e s TYR 17 Cb -0.03 -1.66 -0.02 0.00 0.35 0.00 0.00 41.96 40.60 2k2e s TYR 17 CO 0.06 -0.33 0.19 0.20 -1.34 0.00 0.00 175.55 174.33 2k2e s GLY 18 N 0.13 2.53 -0.62 8.97 0.00 -0.36 -4.96 107.32 113.01 2k2e s GLY 18 Ca -0.13 -1.52 -0.26 0.00 0.00 0.00 0.00 44.72 42.81 2k2e s GLY 18 CO 0.07 -1.69 1.92 0.99 0.00 0.00 0.00 173.10 174.39 2k2e s ASP 19 N -3.52 5.17 0.00 1.64 1.11 -1.26 -2.82 116.67 117.00 2k2e s ASP 19 Ca 0.30 0.33 0.00 0.00 0.18 0.00 0.00 52.55 53.36 2k2e s ASP 19 Cb 0.02 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.48 2k2e s ASP 19 CO 0.20 -2.46 0.00 0.61 1.18 0.00 0.00 175.17 174.69 2k2e n GLY 20 N 5.81 0.52 3.44 0.21 0.00 -1.26 -5.02 105.19 108.89 2k2e n GLY 20 Ca 0.23 -0.53 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 2k2e n GLY 20 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2k2e s TYR 21 N -2.00 -0.52 -0.21 1.61 -0.85 -1.13 -3.36 117.35 110.89 2k2e s TYR 21 Ca 0.00 0.76 -0.03 0.00 -0.52 0.00 0.00 57.07 57.28 2k2e s TYR 21 Cb 0.00 0.36 -0.00 0.00 0.38 0.00 0.00 41.96 42.70 2k2e s TYR 21 CO 0.00 -0.61 -0.07 0.42 -1.52 0.00 0.00 175.55 173.77 2k2e s ILE 22 N -1.77 3.13 -0.41 -3.49 1.09 -1.07 -1.23 121.20 117.46 2k2e s ILE 22 Ca -0.09 -0.58 -0.17 0.00 -1.10 0.00 0.00 60.65 58.72 2k2e s ILE 22 Cb -0.01 -2.41 0.02 0.00 -1.06 0.00 0.00 42.46 39.00 2k2e s ILE 22 CO 0.04 0.45 0.40 -0.70 -0.10 0.00 0.00 174.94 175.03 2k2e s GLU 23 N 1.37 3.15 -0.18 2.79 2.12 0.14 -0.25 118.70 127.84 2k2e s GLU 23 Ca 0.05 -0.75 0.01 0.00 0.36 0.00 0.00 54.97 54.64 2k2e s GLU 23 Cb -0.14 -3.94 0.02 0.00 0.26 0.00 0.00 34.13 30.33 2k2e s GLU 23 CO -0.04 -0.79 -0.20 0.08 -0.54 0.00 0.00 175.26 173.77 2k2e s VAL 24 N 2.04 2.06 -1.09 3.70 1.01 -0.17 -1.05 120.40 126.91 2k2e s VAL 24 Ca 0.11 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 61.08 2k2e s VAL 24 Cb -0.17 -1.87 0.01 0.00 0.00 0.00 0.00 36.38 34.34 2k2e s VAL 24 CO 0.13 0.53 0.95 -3.20 0.00 0.00 0.00 175.10 173.50 2k2e n ASN 25 N 4.62 -4.75 -0.09 3.32 5.15 -1.26 -1.85 115.26 120.40 2k2e n ASN 25 Ca -0.21 -0.46 -0.01 0.00 -0.60 0.00 0.00 54.58 53.30 2k2e n ASN 25 Cb 0.50 -4.28 -0.01 0.00 -0.53 0.00 0.00 39.78 35.46 2k2e n ASN 25 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k2e n GLN 26 N -4.08 -1.29 -3.72 1.20 1.13 -1.26 -4.97 117.38 104.39 2k2e n GLN 26 Ca -0.05 0.39 -0.38 0.00 -1.94 0.00 0.00 57.00 55.02 2k2e n GLN 26 Cb 0.57 -4.39 -0.12 0.00 0.11 0.00 0.00 30.24 26.41 2k2e n GLN 26 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2k2e s VAL 27 N -1.44 4.25 -0.67 5.09 1.01 -0.77 -5.05 120.40 122.83 2k2e s VAL 27 Ca 0.00 -0.55 -0.26 0.00 0.00 0.00 0.00 61.98 61.17 2k2e s VAL 27 Cb 0.00 -3.17 0.04 0.00 0.00 0.00 0.00 36.38 33.25 2k2e s VAL 27 CO 0.00 0.09 1.17 -0.13 0.00 0.00 0.00 175.10 176.23 2k2e s ARG 28 N 1.56 3.26 -1.02 2.72 0.52 -1.26 -1.00 118.95 123.73 2k2e s ARG 28 Ca 0.04 -0.23 -0.22 0.00 -0.52 0.00 0.00 55.73 54.80 2k2e s ARG 28 Cb -0.17 -4.14 0.07 0.00 0.52 0.00 0.00 34.95 31.23 2k2e s ARG 28 CO 0.04 -1.92 1.41 -0.06 0.02 0.00 0.00 175.30 174.79 2k2e s PHE 29 N 5.10 2.66 -0.53 -0.53 0.08 0.65 -4.85 117.98 120.57 2k2e s PHE 29 Ca 0.34 -1.00 -0.05 0.00 0.12 0.00 0.00 56.93 56.34 2k2e s PHE 29 Cb -0.10 -4.62 -0.04 0.00 -0.57 0.00 0.00 43.02 37.69 2k2e s PHE 29 CO 0.17 -1.84 2.99 0.43 -0.10 0.00 0.00 175.22 176.87 2k2e n SER 30 N 8.40 6.50 -3.53 1.36 7.64 -1.26 -2.61 113.62 130.11 2k2e n SER 30 Ca 0.32 -2.93 -0.09 0.00 1.01 0.00 0.00 58.87 57.18 2k2e n SER 30 Cb 0.50 -1.33 -0.03 0.00 -1.01 0.00 0.00 64.21 62.34 2k2e n SER 30 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2k2e s HIS 31 N -0.52 -0.34 0.18 1.43 -3.43 -1.26 -4.41 115.29 106.94 2k2e s HIS 31 Ca 0.62 0.34 -0.33 0.00 -0.80 0.00 0.00 55.06 54.89 2k2e s HIS 31 Cb 0.32 0.51 -0.13 0.00 -1.43 0.00 0.00 32.58 31.85 2k2e s HIS 31 CO -0.13 -0.45 1.61 0.00 -2.00 0.00 0.00 174.74 173.77 2k2e n ALA 32 N 0.08 1.81 -3.16 -1.38 0.00 -1.23 -4.47 120.51 112.16 2k2e n ALA 32 Ca -0.08 0.43 -0.15 0.00 0.00 0.00 0.00 53.44 53.63 2k2e n ALA 32 Cb 0.60 -2.40 -0.15 0.00 0.00 0.00 0.00 19.45 17.50 2k2e n ALA 32 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2k2e s ILE 33 N 0.88 0.19 -0.22 0.00 -4.36 0.50 -0.03 121.20 118.17 2k2e s ILE 33 Ca 0.76 -0.03 0.02 0.00 -0.26 0.00 0.00 60.65 61.14 2k2e s ILE 33 Cb -0.62 -0.21 0.04 0.00 1.25 0.00 0.00 42.46 42.92 2k2e s ILE 33 CO 0.37 0.09 -0.14 0.00 0.24 0.00 0.00 174.94 175.50 2k2e s ALA 34 N 0.35 2.35 0.04 2.27 0.00 0.58 -0.10 121.76 127.24 2k2e s ALA 34 Ca -0.03 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 50.49 2k2e s ALA 34 Cb -0.06 -1.37 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 2k2e s ALA 34 CO -0.01 -0.81 -0.04 -0.59 0.00 0.00 0.00 175.76 174.31 2k2e s PHE 35 N 1.24 0.44 0.04 0.00 -0.71 -0.37 -0.25 117.98 118.36 2k2e s PHE 35 Ca -0.02 -0.66 -0.00 0.00 -1.04 0.00 0.00 56.93 55.20 2k2e s PHE 35 Cb -0.17 -0.30 -0.03 0.00 -1.21 0.00 0.00 43.02 41.32 2k2e s PHE 35 CO -0.09 -0.21 -0.03 0.00 -1.34 0.00 0.00 175.22 173.55 2k2e s ALA 36 N -2.11 0.35 -0.40 1.99 0.00 -1.26 -2.06 121.76 118.28 2k2e s ALA 36 Ca -0.08 -0.89 0.17 0.00 0.00 0.00 0.00 51.96 51.16 2k2e s ALA 36 Cb -0.05 0.19 0.91 0.00 0.00 0.00 0.00 23.12 24.17 2k2e s ALA 36 CO -0.03 -0.24 1.52 -2.30 0.00 0.00 0.00 175.76 174.71 2k2e n PRO 37 N 0.90 0.11 -0.27 0.00 -0.02 -1.25 -0.99 135.00 133.48 2k2e n PRO 37 Ca -0.19 0.59 0.08 0.00 -2.02 0.00 0.00 63.50 61.96 2k2e n PRO 37 Cb 0.58 -1.85 0.14 0.00 -0.02 0.00 0.00 33.50 32.35 2k2e n PRO 37 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k2e n GLU 38 N -2.08 1.19 -4.01 -0.52 1.02 -1.26 -4.34 120.64 110.64 2k2e n GLU 38 Ca -0.01 -2.57 -0.10 0.00 -0.02 0.00 0.00 57.16 54.46 2k2e n GLU 38 Cb 0.04 -1.39 -0.06 0.00 -0.02 0.00 0.00 31.44 30.01 2k2e n GLU 38 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2k2e s GLY 39 N -2.76 0.61 0.88 0.62 0.00 -0.16 -4.84 107.32 101.67 2k2e s GLY 39 Ca 0.30 -0.95 -0.13 0.00 0.00 0.00 0.00 44.72 43.94 2k2e s GLY 39 CO -0.00 -0.75 1.20 2.56 0.00 0.00 0.00 173.10 176.12 2k2e s PRO 40 N -4.02 1.38 -0.78 2.90 0.04 -1.26 -4.07 135.00 129.19 2k2e s PRO 40 Ca 0.23 0.02 -0.22 0.00 0.04 0.00 0.00 61.00 61.08 2k2e s PRO 40 Cb 0.01 -1.89 0.09 0.00 0.04 0.00 0.00 34.50 32.75 2k2e s PRO 40 CO 0.07 -1.98 1.07 0.08 0.04 0.00 0.00 177.00 176.28 2k2e s VAL 41 N -3.57 4.40 -0.43 -0.36 1.01 -1.26 -4.14 120.40 116.05 2k2e s VAL 41 Ca 0.65 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 61.59 2k2e s VAL 41 Cb -0.10 -4.75 0.01 0.00 0.00 0.00 0.00 36.38 31.53 2k2e s VAL 41 CO 0.51 -1.53 1.44 0.00 0.00 0.00 0.00 175.10 175.53 2k2e s ALA 42 N 3.75 2.99 -0.03 5.51 0.00 0.65 -4.85 121.76 129.78 2k2e s ALA 42 Ca 0.28 -0.21 -0.24 0.00 0.00 0.00 0.00 51.96 51.79 2k2e s ALA 42 Cb -0.11 -3.97 -0.04 0.00 0.00 0.00 0.00 23.12 18.99 2k2e s ALA 42 CO 0.02 -2.51 0.73 -1.12 0.00 0.00 0.00 175.76 172.89 2k2e s SER 43 N 4.21 7.07 0.01 0.00 0.01 -1.26 -0.31 113.70 123.44 2k2e s SER 43 Ca 0.61 1.29 -0.05 0.00 1.31 0.00 0.00 55.95 59.11 2k2e s SER 43 Cb -0.14 -2.44 -0.05 0.00 0.21 0.00 0.00 66.02 63.61 2k2e s SER 43 CO 0.32 -0.09 0.25 0.26 0.41 0.00 0.00 173.24 174.38 2k2e s TRP 44 N 0.58 3.56 -0.05 2.43 0.52 0.96 -4.98 118.94 121.95 2k2e s TRP 44 Ca 0.39 0.48 -0.00 0.00 0.02 0.00 0.00 56.10 56.99 2k2e s TRP 44 Cb -0.19 -1.93 0.04 0.00 -1.15 0.00 0.00 33.47 30.25 2k2e s TRP 44 CO 0.20 0.61 1.73 -2.30 0.02 0.00 0.00 176.95 177.21 2k2e n PRO 45 N 0.94 1.13 -4.00 4.98 -0.02 -1.26 -4.21 135.00 132.57 2k2e n PRO 45 Ca -0.10 -0.27 -0.35 0.00 -2.02 0.00 0.00 63.50 60.75 2k2e n PRO 45 Cb 0.53 -1.11 -0.13 0.00 -0.02 0.00 0.00 33.50 32.77 2k2e n PRO 45 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2k2e s VAL 46 N -0.37 3.89 -0.05 -1.45 1.01 -1.26 -4.93 120.40 117.23 2k2e s VAL 46 Ca 0.05 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.72 2k2e s VAL 46 Cb 0.04 -2.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.64 2k2e s VAL 46 CO 0.00 0.41 0.05 0.00 0.00 0.00 0.00 175.10 175.57 2k2e n GLN 47 N 4.46 6.54 -5.13 2.72 6.02 -1.26 -3.51 117.38 127.21 2k2e n GLN 47 Ca -0.17 -0.01 -0.29 0.00 -0.01 0.00 0.00 57.00 56.52 2k2e n GLN 47 Cb 0.52 -0.56 -0.16 0.00 1.02 0.00 0.00 30.24 31.06 2k2e n GLN 47 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2k2e s ARG 48 N -1.08 2.06 0.00 -1.09 3.00 -1.26 -4.30 118.95 116.28 2k2e s ARG 48 Ca 0.00 -0.81 0.08 0.00 0.00 0.00 0.00 55.73 55.00 2k2e s ARG 48 Cb 0.01 -1.87 0.41 0.00 0.00 0.00 0.00 34.95 33.50 2k2e s ARG 48 CO 0.04 0.42 1.12 -0.35 0.00 0.00 0.00 175.30 176.53 2k2e n PRO 49 N 2.75 0.12 -0.13 3.54 -0.04 -1.26 -1.38 135.00 138.60 2k2e n PRO 49 Ca -0.17 0.20 0.11 0.00 -0.04 0.00 0.00 63.50 63.61 2k2e n PRO 49 Cb 0.52 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.76 2k2e n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k2e n ALA 50 N -1.27 2.47 0.89 0.55 0.00 -1.26 -3.95 120.51 117.93 2k2e n ALA 50 Ca 0.04 -0.77 0.12 0.00 0.00 0.00 0.00 53.44 52.83 2k2e n ALA 50 Cb 0.06 -0.97 0.21 0.00 0.00 0.00 0.00 19.45 18.76 2k2e n ALA 50 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k2e n ASP 51 N 0.97 0.55 -4.58 0.00 8.00 -0.48 -4.87 116.55 116.14 2k2e n ASP 51 Ca 0.18 -0.20 -0.40 0.00 0.71 0.00 0.00 54.79 55.08 2k2e n ASP 51 Cb 0.48 0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 41.85 2k2e n ASP 51 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2k2e s ILE 52 N -3.05 3.15 0.36 0.53 1.01 -1.25 -4.95 121.20 116.99 2k2e s ILE 52 Ca 0.09 0.13 0.08 0.00 0.00 0.00 0.00 60.65 60.95 2k2e s ILE 52 Cb 0.16 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 2k2e s ILE 52 CO 0.72 -0.21 0.18 0.42 0.00 0.00 0.00 174.94 176.04 2k2e s THR 53 N 9.40 2.93 0.41 2.92 -4.23 -1.26 -5.01 115.64 120.80 2k2e s THR 53 Ca 0.91 -1.65 0.10 0.00 -1.18 0.00 0.00 61.69 59.88 2k2e s THR 53 Cb -0.23 -3.00 0.19 0.00 1.34 0.00 0.00 72.50 70.81 2k2e s THR 53 CO 0.30 -0.14 1.98 0.00 -0.54 0.00 0.00 174.62 176.22 2k2e h ALA 54 N 1.47 1.62 -0.20 3.99 0.00 -1.93 -2.23 119.26 121.98 2k2e h ALA 54 Ca -0.43 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2k2e h ALA 54 Cb 1.25 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2k2e h ALA 54 CO 0.63 0.28 0.13 0.77 0.00 0.00 0.00 179.25 181.06 2k2e h SER 55 N 0.24 0.23 -0.19 0.00 0.02 -1.95 -1.58 113.55 110.33 2k2e h SER 55 Ca 0.05 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 2k2e h SER 55 Cb 0.24 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 2k2e h SER 55 CO 0.01 0.18 -0.05 -0.07 -1.14 0.00 0.00 176.83 175.76 2k2e h LEU 56 N 0.26 0.48 -0.79 5.07 3.38 -1.83 -2.37 115.31 119.52 2k2e h LEU 56 Ca 0.07 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 2k2e h LEU 56 Cb -0.01 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2k2e h LEU 56 CO -0.02 0.59 0.08 -0.07 0.09 0.00 0.00 178.44 179.11 2k2e h LEU 57 N 0.48 0.95 -0.73 1.67 3.38 -0.97 0.15 115.31 120.24 2k2e h LEU 57 Ca 0.10 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 2k2e h LEU 57 Cb 0.39 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2k2e h LEU 57 CO 0.02 0.96 0.04 1.56 0.09 0.00 0.00 178.44 181.11 2k2e h GLN 58 N 0.93 1.01 -0.24 1.13 4.20 -0.84 -1.04 115.11 120.26 2k2e h GLN 58 Ca 0.18 -0.29 -0.19 0.00 0.06 0.00 0.00 58.65 58.41 2k2e h GLN 58 Cb 0.43 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2k2e h GLN 58 CO 0.01 0.97 -0.61 1.96 -0.67 0.00 0.00 178.83 180.50 2k2e h GLN 59 N 0.94 0.81 0.00 1.46 4.20 -1.08 -2.73 115.11 118.71 2k2e h GLN 59 Ca 0.18 -0.55 0.00 0.00 0.06 0.00 0.00 58.65 58.34 2k2e h GLN 59 Cb 0.49 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.35 2k2e h GLN 59 CO 0.02 1.17 0.00 0.00 -0.67 0.00 0.00 178.83 179.36 2k2e h ALA 60 N 0.70 1.00 0.00 3.87 0.00 -0.53 -1.13 119.26 123.17 2k2e h ALA 60 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k2e h ALA 60 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2k2e h ALA 60 CO 0.13 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.38 2k2e n ALA 61 N -1.95 2.27 -0.57 0.00 0.00 -0.41 -4.88 120.51 114.96 2k2e n ALA 61 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2k2e n ALA 61 Cb 0.25 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.27 2k2e n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k2e n GLY 62 N 1.03 0.76 0.00 0.00 0.00 -0.43 -2.67 105.19 103.88 2k2e n GLY 62 Ca 0.10 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.21 2k2e n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k2e n LEU 63 N 0.00 0.00 0.15 0.99 4.77 -1.12 -2.13 117.00 119.66 2k2e n LEU 63 Ca 0.00 0.20 0.03 0.00 -0.03 0.00 0.00 56.01 56.21 2k2e n LEU 63 Cb 0.00 -0.20 0.12 0.00 -2.33 0.00 0.00 43.42 41.01 2k2e n LEU 63 CO 0.00 -0.08 0.52 0.00 -1.33 0.00 0.00 177.39 176.49 2k2e h ALA 64 N 2.94 0.75 -2.28 -1.18 0.00 -1.75 -3.46 119.26 114.29 2k2e h ALA 64 Ca 0.00 -0.46 -0.48 0.00 0.00 0.00 0.00 54.91 53.97 2k2e h ALA 64 Cb 0.12 -0.08 0.05 0.00 0.00 0.00 0.00 17.79 17.87 2k2e h ALA 64 CO 0.00 0.63 0.15 -1.21 0.00 0.00 0.00 179.25 178.82 2k2e s GLU 65 N -3.16 3.14 -0.53 0.00 2.02 -0.90 -5.05 118.70 114.21 2k2e s GLU 65 Ca 0.02 0.06 -0.02 0.00 0.02 0.00 0.00 54.97 55.06 2k2e s GLU 65 Cb 0.09 -2.31 0.14 0.00 0.10 0.00 0.00 34.13 32.15 2k2e s GLU 65 CO 0.73 -0.53 0.33 0.08 0.02 0.00 0.00 175.26 175.89 2k2e s VAL 66 N -2.90 3.36 0.69 2.63 1.01 -1.26 -5.09 120.40 118.84 2k2e s VAL 66 Ca 0.52 -2.72 -0.03 0.00 0.00 0.00 0.00 61.98 59.74 2k2e s VAL 66 Cb -0.10 -3.25 0.09 0.00 0.00 0.00 0.00 36.38 33.12 2k2e s VAL 66 CO 0.45 -0.80 0.97 0.68 0.00 0.00 0.00 175.10 176.40 2k2e s VAL 67 N 0.29 2.30 -1.07 2.92 -7.23 -1.26 -4.41 120.40 111.95 2k2e s VAL 67 Ca 0.14 -0.48 -0.06 0.00 -1.81 0.00 0.00 61.98 59.77 2k2e s VAL 67 Cb -0.22 -2.82 0.01 0.00 0.56 0.00 0.00 36.38 33.91 2k2e s VAL 67 CO -0.03 0.00 0.77 -1.14 -0.31 0.00 0.00 175.10 174.39 2k2e n ARG 68 N -2.80 -5.39 -3.76 4.82 0.63 -1.26 -4.98 116.66 103.92 2k2e n ARG 68 Ca 0.11 0.65 -0.37 0.00 -0.92 0.00 0.00 57.85 57.32 2k2e n ARG 68 Cb 0.60 -5.07 -0.12 0.00 0.45 0.00 0.00 32.46 28.32 2k2e n ARG 68 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2k2e s ASP 69 N -3.11 5.27 -0.10 6.15 -1.08 -1.26 -4.92 116.67 117.61 2k2e s ASP 69 Ca 0.38 -1.68 0.13 0.00 -0.52 0.00 0.00 52.55 50.87 2k2e s ASP 69 Cb -0.17 -1.84 0.55 0.00 -1.46 0.00 0.00 42.92 40.00 2k2e s ASP 69 CO 0.48 -0.46 1.41 -0.81 0.52 0.00 0.00 175.17 176.30 2k2e n PRO 70 N 4.69 3.19 -0.12 4.34 -0.04 -1.26 -4.28 135.00 141.52 2k2e n PRO 70 Ca -0.07 -2.17 -0.18 0.00 -0.04 0.00 0.00 63.50 61.03 2k2e n PRO 70 Cb 0.42 -1.79 -0.11 0.00 -0.04 0.00 0.00 33.50 31.98 2k2e n PRO 70 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2k2e n LEU 71 N 0.73 2.76 0.21 1.53 7.94 -1.26 -4.39 117.00 124.51 2k2e n LEU 71 Ca 0.20 -0.05 0.08 0.00 -1.11 0.00 0.00 56.01 55.13 2k2e n LEU 71 Cb 0.74 -0.81 0.40 0.00 0.53 0.00 0.00 43.42 44.27 2k2e n LEU 71 CO 0.19 0.83 0.74 0.00 -1.11 0.00 0.00 177.39 178.05 2k2e h ALA 72 N -0.17 1.00 -2.19 1.96 0.00 -1.98 -3.45 119.26 114.44 2k2e h ALA 72 Ca -0.55 -0.26 -0.45 0.00 0.00 0.00 0.00 54.91 53.64 2k2e h ALA 72 Cb 1.77 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 19.37 2k2e h ALA 72 CO -0.14 0.36 -0.72 -0.06 0.00 0.00 0.00 179.25 178.69 2k2e s PHE 73 N -3.62 1.74 -1.77 0.00 0.08 -1.26 -5.03 117.98 108.12 2k2e s PHE 73 Ca 0.00 -0.62 0.30 0.00 0.12 0.00 0.00 56.93 56.74 2k2e s PHE 73 Cb 0.10 -0.86 1.54 0.00 -0.57 0.00 0.00 43.02 43.24 2k2e s PHE 73 CO 0.66 0.32 2.04 1.28 -0.10 0.00 0.00 175.22 179.42 2k2e n LEU 74 N -0.42 0.25 -3.79 -0.37 4.77 -1.26 -4.72 117.00 111.46 2k2e n LEU 74 Ca -0.07 0.05 -0.14 0.00 -0.03 0.00 0.00 56.01 55.82 2k2e n LEU 74 Cb 0.61 -0.13 -0.15 0.00 -2.33 0.00 0.00 43.42 41.42 2k2e n LEU 74 CO 0.36 0.04 -0.29 -0.62 -1.33 0.00 0.00 177.39 175.55 2k2e s ASP 75 N -2.30 -0.04 -0.24 -1.43 2.15 -1.26 -5.10 116.67 108.45 2k2e s ASP 75 Ca 0.36 0.16 -0.25 0.00 0.43 0.00 0.00 52.55 53.25 2k2e s ASP 75 Cb 0.21 0.09 -0.00 0.00 -0.30 0.00 0.00 42.92 42.91 2k2e s ASP 75 CO 0.42 -0.10 0.85 -1.83 -0.17 0.00 0.00 175.17 174.34 2k2e s GLU 76 N 0.78 4.19 0.79 4.34 -1.05 -1.26 -4.84 118.70 121.65 2k2e s GLU 76 Ca -0.06 0.99 -0.12 0.00 -0.15 0.00 0.00 54.97 55.63 2k2e s GLU 76 Cb -0.08 -3.64 0.07 0.00 -0.44 0.00 0.00 34.13 30.03 2k2e s GLU 76 CO -0.03 -0.53 1.16 -2.14 0.95 0.00 0.00 175.26 174.67 2k2e s PRO 77 N 2.89 2.14 0.38 -4.83 0.02 -1.26 -5.05 135.00 129.28 2k2e s PRO 77 Ca 0.36 0.18 0.00 0.00 0.02 0.00 0.00 61.00 61.57 2k2e s PRO 77 Cb -0.15 -1.96 0.07 0.00 0.02 0.00 0.00 34.50 32.48 2k2e s PRO 77 CO 0.07 -1.49 0.52 0.39 -0.33 0.00 0.00 177.00 176.16 2k2e n GLU 78 N -3.26 0.27 -0.07 5.54 1.02 -1.26 -4.79 120.64 118.09 2k2e n GLU 78 Ca 0.08 -1.44 -0.04 0.00 -0.02 0.00 0.00 57.16 55.74 2k2e n GLU 78 Cb 0.60 -0.34 -0.02 0.00 -0.02 0.00 0.00 31.44 31.67 2k2e n GLU 78 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k2e h ALA 79 N -0.48 0.01 0.00 0.62 0.00 -1.95 -3.47 119.26 113.99 2k2e h ALA 79 Ca -0.17 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2k2e h ALA 79 Cb 0.64 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2k2e h ALA 79 CO 0.19 0.38 0.00 0.41 0.00 0.00 0.00 179.25 180.23 2k2e n GLY 80 N 1.65 -0.54 0.00 0.00 0.00 -1.26 -4.74 105.19 100.31 2k2e n GLY 80 Ca -0.06 0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.20 2k2e n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2e n ALA 81 N -0.08 4.18 -2.77 4.61 0.00 -1.26 -4.91 120.51 120.28 2k2e n ALA 81 Ca 0.00 -0.50 -0.37 0.00 0.00 0.00 0.00 53.44 52.57 2k2e n ALA 81 Cb 0.00 -0.90 -0.06 0.00 0.00 0.00 0.00 19.45 18.49 2k2e n ALA 81 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2k2e s GLY 82 N -3.12 2.25 0.34 0.00 0.00 -1.26 -4.98 107.32 100.54 2k2e s GLY 82 Ca 0.08 -0.52 0.15 0.00 0.00 0.00 0.00 44.72 44.43 2k2e s GLY 82 CO 0.81 -0.22 1.70 0.00 0.00 0.00 0.00 173.10 175.40 2k2e h ALA 83 N 4.94 1.03 -2.47 3.20 0.00 -2.01 -3.44 119.26 120.50 2k2e h ALA 83 Ca -0.54 -0.42 -0.52 0.00 0.00 0.00 0.00 54.91 53.43 2k2e h ALA 83 Cb 1.23 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2k2e h ALA 83 CO 0.59 0.57 -0.40 -0.98 0.00 0.00 0.00 179.25 179.03 2k2e s ARG 84 N -3.67 3.47 -0.16 0.00 1.70 -1.26 -5.02 118.95 114.01 2k2e s ARG 84 Ca -0.01 -0.53 -0.42 0.00 -0.47 0.00 0.00 55.73 54.31 2k2e s ARG 84 Cb 0.12 -2.90 -0.19 0.00 -0.57 0.00 0.00 34.95 31.41 2k2e s ARG 84 CO 0.72 0.45 1.30 -2.30 -1.08 0.00 0.00 175.30 174.38 2k2e n PRO 85 N -0.78 0.19 0.04 3.89 -0.02 -1.26 -4.85 135.00 132.20 2k2e n PRO 85 Ca -0.06 0.07 -0.01 0.00 -2.02 0.00 0.00 63.50 61.47 2k2e n PRO 85 Cb 0.54 -1.59 0.26 0.00 -0.02 0.00 0.00 33.50 32.69 2k2e n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k2e h ALA 86 N 4.02 1.24 0.00 3.55 0.00 -1.87 -3.23 119.26 122.96 2k2e h ALA 86 Ca -0.48 -0.29 -0.65 0.00 0.00 0.00 0.00 54.91 53.49 2k2e h ALA 86 Cb 1.40 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 19.08 2k2e h ALA 86 CO 0.78 0.50 3.51 0.09 0.00 0.00 0.00 179.25 184.13 2k2e n ASN 87 N -4.18 7.00 -2.83 0.00 4.13 -1.26 -4.33 115.26 113.79 2k2e n ASN 87 Ca -0.00 -2.61 0.02 0.00 1.68 0.00 0.00 54.58 53.67 2k2e n ASN 87 Cb 0.35 -1.52 0.00 0.00 -1.54 0.00 0.00 39.78 37.08 2k2e n ASN 87 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k2e s ALA 88 N 2.65 -4.25 0.22 5.41 0.00 -1.09 -4.31 121.76 120.39 2k2e s ALA 88 Ca 0.61 1.20 -0.31 0.00 0.00 0.00 0.00 51.96 53.46 2k2e s ALA 88 Cb 0.16 -2.98 -0.15 0.00 0.00 0.00 0.00 23.12 20.15 2k2e s ALA 88 CO -0.06 -2.45 1.12 -0.35 0.00 0.00 0.00 175.76 174.03 2k2e n PRO 89 N 3.85 1.29 -0.01 0.00 -0.04 -1.26 -4.92 135.00 133.91 2k2e n PRO 89 Ca 0.06 0.46 -0.17 0.00 -0.04 0.00 0.00 63.50 63.81 2k2e n PRO 89 Cb 0.62 -1.92 -0.13 0.00 -0.04 0.00 0.00 33.50 32.04 2k2e n PRO 89 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2k2e h GLU 90 N 2.92 0.22 -4.49 0.54 4.81 -1.78 -3.36 114.58 113.44 2k2e h GLU 90 Ca -0.42 -0.29 -0.44 0.00 -0.13 0.00 0.00 59.36 58.09 2k2e h GLU 90 Cb 1.34 0.09 -0.32 0.00 0.63 0.00 0.00 28.75 30.49 2k2e h GLU 90 CO 0.67 1.06 -0.79 0.54 -0.73 0.00 0.00 179.01 179.76 2k2e s VAL 91 N -2.78 0.80 -0.20 0.32 0.11 -1.07 -1.23 120.40 116.35 2k2e s VAL 91 Ca -0.15 -0.34 -0.01 0.00 -2.93 0.00 0.00 61.98 58.55 2k2e s VAL 91 Cb 0.01 -0.73 0.01 0.00 -1.53 0.00 0.00 36.38 34.14 2k2e s VAL 91 CO 0.77 0.26 -0.13 -0.22 -3.33 0.00 0.00 175.10 172.45 2k2e s LEU 92 N 0.39 2.53 -0.45 2.54 2.96 -0.25 -1.29 118.68 125.11 2k2e s LEU 92 Ca -0.06 -0.58 -0.13 0.00 -0.22 0.00 0.00 54.13 53.14 2k2e s LEU 92 Cb -0.11 -1.60 0.07 0.00 0.50 0.00 0.00 46.19 45.06 2k2e s LEU 92 CO 0.01 -0.02 0.34 -0.76 -1.32 0.00 0.00 176.35 174.60 2k2e s LEU 93 N 1.36 5.43 -0.29 -0.68 1.43 0.89 0.07 118.68 126.89 2k2e s LEU 93 Ca 0.05 -1.38 -0.16 0.00 -1.03 0.00 0.00 54.13 51.61 2k2e s LEU 93 Cb -0.14 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 2k2e s LEU 93 CO -0.08 -0.60 0.41 -0.69 0.23 0.00 0.00 176.35 175.62 2k2e s VAL 94 N 1.56 5.13 -0.29 -1.59 1.01 0.52 -0.18 120.40 126.55 2k2e s VAL 94 Ca 0.04 0.48 -0.17 0.00 0.00 0.00 0.00 61.98 62.33 2k2e s VAL 94 Cb -0.24 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 2k2e s VAL 94 CO 0.05 0.04 0.45 -0.83 0.00 0.00 0.00 175.10 174.81 2k2e s GLY 95 N 1.67 1.86 0.00 4.51 0.00 0.14 -0.32 107.32 115.17 2k2e s GLY 95 Ca 0.16 -0.85 0.18 0.00 0.00 0.00 0.00 44.72 44.22 2k2e s GLY 95 CO 0.11 1.12 1.56 -1.30 0.00 0.00 0.00 173.10 174.59 2k2e n THR 96 N 5.22 0.41 0.00 0.90 -2.24 -0.11 -3.44 114.28 115.01 2k2e n THR 96 Ca -0.06 0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2k2e n THR 96 Cb 0.50 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 2k2e n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k2e n GLY 97 N 0.27 1.71 0.34 3.38 0.00 -1.25 -4.04 105.19 105.60 2k2e n GLY 97 Ca 0.09 0.28 -0.14 0.00 0.00 0.00 0.00 46.02 46.25 2k2e n GLY 97 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2k2e h ARG 98 N 0.00 -0.59 -1.48 1.61 2.43 -1.80 -3.42 114.38 111.13 2k2e h ARG 98 Ca 0.00 0.04 0.15 0.00 -0.81 0.00 0.00 59.98 59.36 2k2e h ARG 98 Cb 0.00 0.13 -0.23 0.00 -0.42 0.00 0.00 29.97 29.46 2k2e h ARG 98 CO 0.00 -0.39 0.69 -0.98 -1.51 0.00 0.00 179.97 177.78 2k2e s ARG 99 N -6.02 0.43 0.16 0.20 1.70 -1.26 -4.86 118.95 109.31 2k2e s ARG 99 Ca -0.16 0.03 -0.32 0.00 -0.47 0.00 0.00 55.73 54.81 2k2e s ARG 99 Cb 0.07 0.20 -0.12 0.00 -0.57 0.00 0.00 34.95 34.53 2k2e s ARG 99 CO 0.64 -0.15 1.72 0.94 -1.08 0.00 0.00 175.30 177.37 2k2e n GLN 100 N 0.46 2.59 -4.33 3.89 7.27 -1.26 -4.74 117.38 121.26 2k2e n GLN 100 Ca -0.06 0.94 -0.22 0.00 0.07 0.00 0.00 57.00 57.73 2k2e n GLN 100 Cb 0.59 -2.77 -0.13 0.00 2.41 0.00 0.00 30.24 30.33 2k2e n GLN 100 CO 0.00 0.00 0.00 -1.01 0.07 0.00 0.00 177.06 176.12 2k2e s HIS 101 N 1.61 1.51 -0.15 3.69 3.76 -1.26 -5.04 115.29 119.41 2k2e s HIS 101 Ca 0.79 -0.41 -0.22 0.00 -0.15 0.00 0.00 55.06 55.07 2k2e s HIS 101 Cb -0.55 -0.86 -0.03 0.00 1.11 0.00 0.00 32.58 32.24 2k2e s HIS 101 CO 0.36 0.11 0.64 -1.17 -0.85 0.00 0.00 174.74 173.83 2k2e s LEU 102 N -1.56 4.22 0.84 0.89 2.96 -1.26 -4.71 118.68 120.06 2k2e s LEU 102 Ca 0.03 0.96 -0.13 0.00 -0.22 0.00 0.00 54.13 54.78 2k2e s LEU 102 Cb -0.09 -2.94 0.11 0.00 0.50 0.00 0.00 46.19 43.76 2k2e s LEU 102 CO 0.03 -0.20 1.21 -0.76 -1.32 0.00 0.00 176.35 175.30 2k2e s LEU 103 N 1.41 2.52 0.19 -0.68 1.43 -1.26 -5.08 118.68 117.22 2k2e s LEU 103 Ca 0.32 0.69 0.06 0.00 -1.03 0.00 0.00 54.13 54.16 2k2e s LEU 103 Cb -0.16 -3.09 -0.04 0.00 0.03 0.00 0.00 46.19 42.93 2k2e s LEU 103 CO 0.13 -2.09 0.14 -0.83 0.23 0.00 0.00 176.35 173.93 2k2e s GLY 104 N -4.62 1.63 0.43 -3.19 0.00 -1.26 -5.02 107.32 95.28 2k2e s GLY 104 Ca 0.64 -1.29 0.10 0.00 0.00 0.00 0.00 44.72 44.17 2k2e s GLY 104 CO 0.50 -1.31 2.03 -2.55 0.00 0.00 0.00 173.10 171.77 2k2e h PRO 105 N 2.15 0.32 0.00 2.90 0.11 -1.98 -2.26 132.00 133.24 2k2e h PRO 105 Ca -0.48 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.48 2k2e h PRO 105 Cb 1.21 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2k2e h PRO 105 CO 0.62 0.29 -0.68 1.49 -0.21 0.00 0.00 178.00 179.51 2k2e h GLU 106 N 0.32 0.00 -0.25 1.05 4.81 -1.97 -2.26 114.58 116.28 2k2e h GLU 106 Ca 0.08 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.24 2k2e h GLU 106 Cb 0.11 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 2k2e h GLU 106 CO -0.01 0.46 -0.13 1.96 -0.73 0.00 0.00 179.01 180.57 2k2e h GLN 107 N 0.00 0.53 -0.67 1.92 4.20 -1.82 -3.01 115.11 116.26 2k2e h GLN 107 Ca -0.03 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.44 2k2e h GLN 107 Cb 1.42 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.19 2k2e h GLN 107 CO 0.06 0.79 0.00 1.33 -0.67 0.00 0.00 178.83 180.35 2k2e n VAL 108 N -4.47 0.99 0.07 -0.54 0.24 -1.14 -4.40 118.33 109.08 2k2e n VAL 108 Ca -0.04 -0.91 -0.12 0.00 -2.04 0.00 0.00 64.34 61.23 2k2e n VAL 108 Cb 0.36 0.40 -0.05 0.00 -1.47 0.00 0.00 33.84 33.08 2k2e n VAL 108 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 2k2e h ARG 109 N 3.88 -0.38 -0.55 7.34 2.43 -1.26 -1.12 114.38 124.72 2k2e h ARG 109 Ca 0.00 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2k2e h ARG 109 Cb 0.95 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.56 2k2e h ARG 109 CO 0.03 -0.25 0.36 -1.35 -1.51 0.00 0.00 179.97 177.25 2k2e h PRO 110 N -0.39 0.68 -0.03 0.20 0.11 -1.82 -2.56 132.00 128.20 2k2e h PRO 110 Ca 0.05 -0.04 -0.22 0.00 0.11 0.00 0.00 66.00 65.90 2k2e h PRO 110 Cb 0.46 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.42 2k2e h PRO 110 CO -0.20 0.45 -0.90 -0.07 -0.21 0.00 0.00 178.00 177.08 2k2e h LEU 111 N 0.70 0.62 -0.75 2.35 3.38 -1.77 -2.94 115.31 116.91 2k2e h LEU 111 Ca 0.21 -0.47 0.04 0.00 0.09 0.00 0.00 57.88 57.75 2k2e h LEU 111 Cb -0.03 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 2k2e h LEU 111 CO -0.05 1.25 0.46 -0.07 0.09 0.00 0.00 178.44 180.12 2k2e h LEU 112 N 0.30 0.73 -1.46 1.67 3.38 -0.81 0.87 115.31 120.00 2k2e h LEU 112 Ca -0.07 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 2k2e h LEU 112 Cb 1.52 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 2k2e h LEU 112 CO 0.16 0.49 -0.22 0.00 0.09 0.00 0.00 178.44 178.96 2k2e h ALA 113 N 1.34 1.18 0.00 1.53 0.00 -1.48 -2.34 119.26 119.50 2k2e h ALA 113 Ca 0.31 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2k2e h ALA 113 Cb 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2k2e h ALA 113 CO -0.14 0.28 -0.36 0.52 0.00 0.00 0.00 179.25 179.55 2k2e h MET 114 N 0.00 0.00 0.00 0.00 2.86 -1.02 -3.47 114.93 113.29 2k2e h MET 114 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2k2e h MET 114 Cb 0.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.24 2k2e h MET 114 CO 0.03 0.24 0.00 0.41 1.06 0.00 0.00 176.91 178.65 2k2e n GLY 115 N 1.18 1.36 3.49 8.32 0.00 -0.50 -5.08 105.19 113.96 2k2e n GLY 115 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 2k2e n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k2e s VAL 116 N -2.00 4.88 -1.11 1.61 1.01 0.17 -4.68 120.40 120.29 2k2e s VAL 116 Ca 0.00 -0.12 -0.21 0.00 0.00 0.00 0.00 61.98 61.64 2k2e s VAL 116 Cb 0.00 -4.20 0.05 0.00 0.00 0.00 0.00 36.38 32.23 2k2e s VAL 116 CO 0.00 -0.62 1.58 -0.83 0.00 0.00 0.00 175.10 175.23 2k2e s GLY 117 N 2.14 1.29 -0.11 4.51 0.00 -0.36 -3.96 107.32 110.82 2k2e s GLY 117 Ca 0.19 -2.42 -0.27 0.00 0.00 0.00 0.00 44.72 42.21 2k2e s GLY 117 CO 0.16 2.77 0.91 0.14 0.00 0.00 0.00 173.10 177.08 2k2e s VAL 118 N 5.21 4.86 0.04 1.40 1.01 -1.26 -1.09 120.40 130.58 2k2e s VAL 118 Ca 0.51 1.84 0.06 0.00 0.00 0.00 0.00 61.98 64.38 2k2e s VAL 118 Cb 0.01 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 2k2e s VAL 118 CO -0.03 0.06 -0.17 -1.61 0.00 0.00 0.00 175.10 173.36 2k2e s GLU 119 N 1.77 1.10 -0.16 2.72 2.02 0.11 -4.93 118.70 121.33 2k2e s GLU 119 Ca 0.44 -0.85 -0.02 0.00 0.02 0.00 0.00 54.97 54.56 2k2e s GLU 119 Cb -0.18 -1.16 -0.02 0.00 0.10 0.00 0.00 34.13 32.87 2k2e s GLU 119 CO 0.17 0.29 -0.07 0.00 0.02 0.00 0.00 175.26 175.67 2k2e s ALA 120 N -0.86 2.82 0.19 5.21 0.00 -1.26 -0.36 121.76 127.50 2k2e s ALA 120 Ca 0.04 -0.90 -0.00 0.00 0.00 0.00 0.00 51.96 51.09 2k2e s ALA 120 Cb -0.08 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.59 2k2e s ALA 120 CO 0.02 0.12 0.24 -1.33 0.00 0.00 0.00 175.76 174.81 2k2e n MET 121 N 3.73 0.35 -2.24 0.00 2.81 0.57 -4.87 117.12 117.47 2k2e n MET 121 Ca -0.18 -1.54 -0.28 0.00 -1.81 0.00 0.00 57.70 53.89 2k2e n MET 121 Cb 0.52 1.44 0.03 0.00 -0.71 0.00 0.00 33.22 34.50 2k2e n MET 121 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2k2e s ASP 122 N -2.17 5.79 0.29 7.83 1.01 -1.26 -0.93 116.67 127.22 2k2e s ASP 122 Ca 0.17 0.97 0.00 0.00 0.71 0.00 0.00 52.55 54.40 2k2e s ASP 122 Cb -0.00 -1.99 0.52 0.00 1.01 0.00 0.00 42.92 42.46 2k2e s ASP 122 CO 0.12 -1.00 1.89 0.74 0.21 0.00 0.00 175.17 177.12 2k2e h THR 123 N -0.23 1.04 0.21 -1.27 2.02 -1.86 0.14 112.91 112.95 2k2e h THR 123 Ca -0.45 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.37 2k2e h THR 123 Cb 1.23 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 2k2e h THR 123 CO 0.62 0.19 -0.18 -0.61 0.37 0.00 0.00 175.52 175.91 2k2e h GLN 124 N 1.05 -0.40 -0.36 6.66 4.15 -1.94 -1.00 115.11 123.27 2k2e h GLN 124 Ca 0.42 0.03 -0.13 0.00 0.77 0.00 0.00 58.65 59.74 2k2e h GLN 124 Cb 0.26 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 2k2e h GLN 124 CO -0.17 -0.26 -0.29 0.00 -1.93 0.00 0.00 178.83 176.17 2k2e h ALA 125 N 0.34 0.52 -0.58 3.38 0.00 -1.82 -2.80 119.26 118.30 2k2e h ALA 125 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2k2e h ALA 125 Cb 0.37 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2k2e h ALA 125 CO -0.03 0.55 0.37 0.00 0.00 0.00 0.00 179.25 180.15 2k2e h ALA 126 N 0.76 0.73 -0.19 0.00 0.00 -0.65 0.06 119.26 119.98 2k2e h ALA 126 Ca 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2k2e h ALA 126 Cb 0.87 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2k2e h ALA 126 CO 0.08 0.18 0.08 0.00 0.00 0.00 0.00 179.25 179.59 2k2e h ALA 127 N 1.20 0.24 -0.37 0.00 0.00 -1.15 0.24 119.26 119.41 2k2e h ALA 127 Ca 0.21 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2k2e h ALA 127 Cb -0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2k2e h ALA 127 CO -0.04 -0.18 0.14 0.00 0.00 0.00 0.00 179.25 179.16 2k2e h ARG 128 N 0.16 0.56 -0.19 0.00 3.08 -1.28 -2.68 114.38 114.03 2k2e h ARG 128 Ca 0.06 -0.11 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 2k2e h ARG 128 Cb 0.15 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2k2e h ARG 128 CO -0.01 0.55 -0.19 1.15 -1.07 0.00 0.00 179.97 180.40 2k2e h THR 129 N 0.46 1.23 -0.03 2.04 2.02 -0.88 -2.58 112.91 115.15 2k2e h THR 129 Ca 0.12 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.27 2k2e h THR 129 Cb 0.20 1.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.90 2k2e h THR 129 CO -0.01 0.32 0.02 0.22 0.37 0.00 0.00 175.52 176.44 2k2e h TYR 130 N 0.31 0.03 -0.91 3.16 3.20 -0.63 0.10 116.97 122.22 2k2e h TYR 130 Ca 0.05 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.95 2k2e h TYR 130 Cb 0.51 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.72 2k2e h TYR 130 CO 0.01 0.02 0.60 -0.91 -1.64 0.00 0.00 178.16 176.23 2k2e h ASN 131 N 0.04 1.00 0.28 -2.11 4.21 -1.25 0.96 115.58 118.71 2k2e h ASN 131 Ca 0.01 -0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 2k2e h ASN 131 Cb 0.00 -0.23 0.00 0.00 -1.12 0.00 0.00 38.32 36.97 2k2e h ASN 131 CO -0.01 0.70 -0.14 0.40 -1.29 0.00 0.00 177.43 177.09 2k2e h ILE 132 N 1.17 0.75 0.00 2.81 2.04 -1.06 -1.67 117.51 121.55 2k2e h ILE 132 Ca 0.36 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.89 2k2e h ILE 132 Cb -0.03 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2k2e h ILE 132 CO -0.11 0.06 -0.17 -0.07 0.00 0.00 0.00 178.15 177.86 2k2e h LEU 133 N -0.54 0.00 -0.39 1.44 4.07 -0.81 -1.70 115.31 117.38 2k2e h LEU 133 Ca -0.04 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.85 2k2e h LEU 133 Cb 0.40 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 2k2e h LEU 133 CO 0.06 0.17 -0.04 -0.03 -1.08 0.00 0.00 178.44 177.52 2k2e h MET 134 N 0.00 0.72 0.00 1.13 4.05 -0.61 -2.60 114.93 117.62 2k2e h MET 134 Ca -0.00 -0.25 -0.03 0.00 -0.28 0.00 0.00 59.70 59.13 2k2e h MET 134 Cb 0.59 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.33 2k2e h MET 134 CO 0.02 0.84 -0.14 0.00 0.23 0.00 0.00 176.91 177.86 2k2e h ALA 135 N 0.86 1.09 0.00 0.39 0.00 -0.48 -1.21 119.26 119.91 2k2e h ALA 135 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k2e h ALA 135 Cb 0.54 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2k2e h ALA 135 CO 0.03 0.18 0.00 0.93 0.00 0.00 0.00 179.25 180.39 2k2e h GLU 136 N 0.00 0.00 -2.67 0.00 4.39 -1.07 -3.46 114.58 111.77 2k2e h GLU 136 Ca -0.00 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.53 2k2e h GLU 136 Cb 0.55 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.24 2k2e h GLU 136 CO 0.02 0.00 -0.28 0.41 -1.16 0.00 0.00 179.01 178.00 2k2e n GLY 137 N 0.01 0.25 3.52 -3.84 0.00 -0.46 -5.04 105.19 99.64 2k2e n GLY 137 Ca 0.02 -0.33 -0.28 0.00 0.00 0.00 0.00 46.02 45.42 2k2e n GLY 137 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k2e s ARG 138 N -5.32 1.89 -1.18 1.61 3.52 -1.01 -5.05 118.95 113.42 2k2e s ARG 138 Ca 0.20 -1.23 -0.20 0.00 -0.13 0.00 0.00 55.73 54.37 2k2e s ARG 138 Cb -0.09 -2.12 0.06 0.00 -1.56 0.00 0.00 34.95 31.24 2k2e s ARG 138 CO 0.24 0.46 1.61 1.03 -0.81 0.00 0.00 175.30 177.83 2k2e s ARG 139 N -2.44 3.81 -0.18 5.12 0.52 -1.26 -4.60 118.95 119.92 2k2e s ARG 139 Ca 0.21 -1.62 -0.07 0.00 -0.52 0.00 0.00 55.73 53.73 2k2e s ARG 139 Cb -0.10 -5.46 -0.04 0.00 0.52 0.00 0.00 34.95 29.87 2k2e s ARG 139 CO 0.12 -2.24 0.06 0.54 0.02 0.00 0.00 175.30 173.81 2k2e s VAL 140 N 4.55 4.79 -0.13 3.52 0.11 -1.26 -2.59 120.40 129.39 2k2e s VAL 140 Ca 0.50 -0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.52 2k2e s VAL 140 Cb 0.02 -3.15 -0.01 0.00 -1.53 0.00 0.00 36.38 31.71 2k2e s VAL 140 CO 0.00 0.47 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.40 2k2e s VAL 141 N 0.30 2.85 -0.05 2.04 1.01 -0.41 -4.30 120.40 121.84 2k2e s VAL 141 Ca 0.03 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.33 2k2e s VAL 141 Cb -0.12 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 2k2e s VAL 141 CO 0.00 0.53 -0.18 0.54 0.00 0.00 0.00 175.10 175.99 2k2e s VAL 142 N 0.40 2.75 -0.31 2.92 0.11 -0.87 -0.08 120.40 125.33 2k2e s VAL 142 Ca -0.12 -0.83 0.02 0.00 -2.93 0.00 0.00 61.98 58.12 2k2e s VAL 142 Cb -0.16 -2.06 0.08 0.00 -1.53 0.00 0.00 36.38 32.71 2k2e s VAL 142 CO 0.06 0.58 -0.00 0.00 -3.33 0.00 0.00 175.10 172.40 2k2e s ALA 143 N -0.53 2.78 -0.18 1.54 0.00 0.74 -1.24 121.76 124.88 2k2e s ALA 143 Ca 0.07 -2.09 -0.09 0.00 0.00 0.00 0.00 51.96 49.85 2k2e s ALA 143 Cb -0.11 -1.87 -0.05 0.00 0.00 0.00 0.00 23.12 21.09 2k2e s ALA 143 CO 0.01 -1.43 0.12 -0.51 0.00 0.00 0.00 175.76 173.95 2k2e s LEU 144 N 1.07 4.21 -0.59 0.00 1.43 0.85 0.24 118.68 125.90 2k2e s LEU 144 Ca -0.00 0.28 0.04 0.00 -1.03 0.00 0.00 54.13 53.42 2k2e s LEU 144 Cb -0.20 -2.07 0.15 0.00 0.03 0.00 0.00 46.19 44.10 2k2e s LEU 144 CO -0.05 0.24 0.36 -0.22 0.23 0.00 0.00 176.35 176.91 2k2e s LEU 145 N -0.03 4.56 0.00 1.79 0.20 -1.22 -0.37 118.68 123.61 2k2e s LEU 145 Ca 0.10 -3.27 0.00 0.00 0.69 0.00 0.00 54.13 51.65 2k2e s LEU 145 Cb -0.11 -1.66 0.00 0.00 -0.43 0.00 0.00 46.19 43.98 2k2e s LEU 145 CO -0.00 -0.20 0.00 -0.81 -0.29 0.00 0.00 176.35 175.05 2k2e n PRO 146 N 2.78 2.32 -2.11 0.98 -0.04 -1.26 -3.91 135.00 133.76 2k2e n PRO 146 Ca 0.10 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.40 2k2e n PRO 146 Cb 0.33 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.77 2k2e n PRO 146 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2k2e n ASP 147 N 0.00 -4.75 0.00 3.54 2.03 -1.21 -4.30 116.55 111.86 2k2e n ASP 147 Ca 0.00 0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.38 2k2e n ASP 147 Cb 0.00 -3.82 0.00 0.00 -0.72 0.00 0.00 41.12 36.58 2k2e n ASP 147 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k2e n GLY 148 N -1.02 0.00 0.19 0.27 0.00 -1.26 -4.82 105.19 98.54 2k2e n GLY 148 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 2k2e n GLY 148 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k2e h ASP 149 N 0.00 0.52 0.00 1.61 2.03 -1.76 -2.88 116.42 115.94 2k2e h ASP 149 Ca 0.00 -0.10 0.00 0.00 -0.73 0.00 0.00 57.03 56.20 2k2e h ASP 149 Cb 0.00 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 38.37 2k2e h ASP 149 CO 0.00 0.47 0.00 -1.20 -1.03 0.00 0.00 179.24 177.48 2k2e n SER 150 N -4.71 0.57 -0.01 4.15 7.64 -1.26 -2.86 113.62 117.14 2k2e n SER 150 Ca 0.00 -1.77 0.13 0.00 1.01 0.00 0.00 58.87 58.25 2k2e n SER 150 Cb 0.09 -0.29 0.52 0.00 -1.01 0.00 0.00 64.21 63.52 2k2e n SER 150 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2k2e n LEU 151 N -0.14 0.17 -5.00 -3.43 7.94 -1.09 -4.80 117.00 110.64 2k2e n LEU 151 Ca 0.00 0.32 -0.18 0.00 -1.11 0.00 0.00 56.01 55.04 2k2e n LEU 151 Cb 0.14 -0.40 0.01 0.00 0.53 0.00 0.00 43.42 43.70 2k2e n LEU 151 CO 0.00 0.04 0.13 -1.61 -1.11 0.00 0.00 177.39 174.84 2k2e s GLU 152 N -2.95 2.91 -0.30 1.96 0.41 -1.13 -5.11 118.70 114.49 2k2e s GLU 152 Ca 0.15 -1.15 -0.02 0.00 -0.41 0.00 0.00 54.97 53.53 2k2e s GLU 152 Cb 0.19 -2.77 0.10 0.00 -1.78 0.00 0.00 34.13 29.87 2k2e s GLU 152 CO 0.57 -0.18 0.12 -1.01 -0.49 0.00 0.00 175.26 174.27 2k2e s HIS 153 N -2.31 0.96 -0.08 1.61 3.76 -1.26 -5.11 115.29 112.86 2k2e s HIS 153 Ca 0.52 -1.30 0.02 0.00 -0.15 0.00 0.00 55.06 54.15 2k2e s HIS 153 Cb -0.10 -1.27 -0.02 0.00 1.11 0.00 0.00 32.58 32.29 2k2e s HIS 153 CO 0.33 -0.85 -0.11 -1.58 -0.85 0.00 0.00 174.74 171.67 2k2e s HIS 154 N 1.84 2.81 0.65 1.40 5.04 -1.26 -5.12 115.29 120.64 2k2e s HIS 154 Ca 0.10 -0.21 -0.11 0.00 -1.54 0.00 0.00 55.06 53.30 2k2e s HIS 154 Cb -0.17 -1.71 -0.02 0.00 0.04 0.00 0.00 32.58 30.72 2k2e s HIS 154 CO -0.30 0.14 1.04 -1.01 -2.34 0.00 0.00 174.74 172.27 2k2e s HIS 155 N -0.49 3.48 -0.39 3.88 3.76 -1.26 -5.01 115.29 119.27 2k2e s HIS 155 Ca 0.07 1.29 -0.19 0.00 -0.15 0.00 0.00 55.06 56.08 2k2e s HIS 155 Cb -0.12 -2.79 0.01 0.00 1.11 0.00 0.00 32.58 30.79 2k2e s HIS 155 CO 0.02 -0.87 0.55 -1.01 -0.85 0.00 0.00 174.74 172.59 2k2e s HIS 156 N -3.17 3.14 0.31 1.40 3.76 -1.26 -5.06 115.29 114.42 2k2e s HIS 156 Ca 0.56 0.05 0.02 0.00 -0.15 0.00 0.00 55.06 55.54 2k2e s HIS 156 Cb -0.12 -3.07 -0.03 0.00 1.11 0.00 0.00 32.58 30.47 2k2e s HIS 156 CO 0.54 -0.67 0.49 -1.01 -0.85 0.00 0.00 174.74 173.24 2k2e s HIS 157 N 2.52 3.49 0.00 1.40 3.76 -1.26 -5.38 115.29 119.81 2k2e s HIS 157 Ca 0.19 0.24 0.00 0.00 -0.15 0.00 0.00 55.06 55.34 2k2e s HIS 157 Cb -0.15 -1.80 0.00 0.00 1.11 0.00 0.00 32.58 31.74 2k2e s HIS 157 CO 0.15 0.22 0.42 -2.39 -0.85 0.00 0.00 174.74 172.30