#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2e n LYS 2 N 0.00 1.88 -0.33 0.03 5.02 -1.26 -4.89 118.16 118.62 2k2e n LYS 2 Ca 0.00 0.68 0.05 0.00 -2.02 0.00 0.00 58.31 57.02 2k2e n LYS 2 Cb 0.00 -2.45 0.21 0.00 -0.02 0.00 0.00 35.03 32.77 2k2e n LYS 2 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2k2e h LEU 3 N 1.91 0.78 -7.81 -0.35 3.38 -2.10 -3.06 115.31 108.06 2k2e h LEU 3 Ca -0.49 0.05 -0.75 0.00 0.09 0.00 0.00 57.88 56.78 2k2e h LEU 3 Cb 1.30 -0.10 -0.29 0.00 0.09 0.00 0.00 40.66 41.66 2k2e h LEU 3 CO 0.59 0.42 -0.15 -1.00 0.09 0.00 0.00 178.44 178.39 2k2e s HIS 4 N -5.99 3.55 -0.43 1.13 3.76 -1.26 -5.03 115.29 111.02 2k2e s HIS 4 Ca -0.12 -2.08 -0.27 0.00 -0.15 0.00 0.00 55.06 52.44 2k2e s HIS 4 Cb 0.21 -3.59 -0.04 0.00 1.11 0.00 0.00 32.58 30.26 2k2e s HIS 4 CO 0.79 -0.96 2.10 0.99 -0.85 0.00 0.00 174.74 176.82 2k2e s THR 5 N 0.49 3.20 -0.04 1.30 2.01 -1.16 -4.89 115.64 116.55 2k2e s THR 5 Ca 0.14 0.16 -0.30 0.00 0.31 0.00 0.00 61.69 62.00 2k2e s THR 5 Cb -0.18 -3.39 -0.05 0.00 0.01 0.00 0.00 72.50 68.90 2k2e s THR 5 CO -0.05 -0.32 1.41 1.51 -0.69 0.00 0.00 174.62 176.48 2k2e s ASP 6 N 9.01 6.85 -1.17 3.53 -4.77 -1.26 -4.92 116.67 123.94 2k2e s ASP 6 Ca 0.87 2.04 -0.05 0.00 -3.30 0.00 0.00 52.55 52.10 2k2e s ASP 6 Cb -0.20 -2.55 0.09 0.00 -1.09 0.00 0.00 42.92 39.17 2k2e s ASP 6 CO 0.28 -0.76 2.50 -0.81 0.70 0.00 0.00 175.17 177.09 2k2e n PRO 7 N 5.90 4.15 0.00 2.11 -0.04 -1.26 -4.95 135.00 140.91 2k2e n PRO 7 Ca 0.14 -3.17 0.00 0.00 -0.04 0.00 0.00 63.50 60.43 2k2e n PRO 7 Cb 0.44 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 2k2e n PRO 7 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k2e n ALA 8 N 1.69 0.00 0.03 0.55 0.00 -1.26 -4.47 120.51 117.05 2k2e n ALA 8 Ca 0.61 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.93 2k2e n ALA 8 Cb 0.31 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.69 2k2e n ALA 8 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2k2e h THR 9 N 0.00 0.96 0.00 0.00 1.35 -1.92 -3.45 112.91 109.85 2k2e h THR 9 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2k2e h THR 9 Cb 0.00 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 67.38 2k2e h THR 9 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 2k2e n ALA 10 N -2.15 0.00 -3.48 6.62 0.00 -1.26 -4.51 120.51 115.74 2k2e n ALA 10 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.00 2k2e n ALA 10 Cb 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.39 2k2e n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k2e s LEU 11 N 0.00 4.93 -0.45 0.00 1.43 -1.26 -4.34 118.68 118.98 2k2e s LEU 11 Ca 0.00 -1.59 -0.27 0.00 -1.03 0.00 0.00 54.13 51.23 2k2e s LEU 11 Cb 0.00 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.31 2k2e s LEU 11 CO 0.00 -0.48 1.87 0.21 0.23 0.00 0.00 176.35 178.18 2k2e s ASN 12 N 1.86 5.54 -0.13 2.29 3.84 -1.25 -4.94 114.94 122.13 2k2e s ASN 12 Ca 0.03 0.90 0.03 0.00 0.21 0.00 0.00 52.86 54.03 2k2e s ASN 12 Cb -0.22 -2.53 0.01 0.00 -0.55 0.00 0.00 41.25 37.96 2k2e s ASN 12 CO -0.00 -2.06 -0.22 -0.89 -2.79 0.00 0.00 177.10 171.14 2k2e s THR 13 N 8.16 2.10 -0.04 -5.21 2.01 -1.26 -4.85 115.64 116.54 2k2e s THR 13 Ca 0.76 -0.97 -0.30 0.00 0.31 0.00 0.00 61.69 61.49 2k2e s THR 13 Cb -0.18 -1.83 -0.06 0.00 0.01 0.00 0.00 72.50 70.44 2k2e s THR 13 CO 0.28 0.55 1.69 -0.69 -0.69 0.00 0.00 174.62 175.76 2k2e s VAL 14 N 0.71 3.52 -0.12 3.82 1.01 -1.26 -2.34 120.40 125.74 2k2e s VAL 14 Ca -0.09 0.63 0.20 0.00 0.00 0.00 0.00 61.98 62.71 2k2e s VAL 14 Cb -0.16 -3.41 -0.22 0.00 0.00 0.00 0.00 36.38 32.60 2k2e s VAL 14 CO 0.01 -0.06 0.57 0.35 0.00 0.00 0.00 175.10 175.97 2k2e n THR 15 N 5.48 0.66 -3.49 3.92 -2.24 0.32 -4.79 114.28 114.13 2k2e n THR 15 Ca 0.18 -0.63 -0.23 0.00 -2.27 0.00 0.00 64.05 61.10 2k2e n THR 15 Cb 0.43 -0.32 -0.13 0.00 -2.10 0.00 0.00 70.33 68.20 2k2e n THR 15 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k2e s ALA 16 N -3.15 0.08 -0.08 6.98 0.00 -1.12 -4.96 121.76 119.52 2k2e s ALA 16 Ca -0.06 -0.48 0.04 0.00 0.00 0.00 0.00 51.96 51.45 2k2e s ALA 16 Cb 0.10 -1.46 0.00 0.00 0.00 0.00 0.00 23.12 21.77 2k2e s ALA 16 CO 0.85 -1.52 -0.19 -0.47 0.00 0.00 0.00 175.76 174.43 2k2e s TYR 17 N 2.23 2.03 0.00 0.00 5.04 -1.26 -0.82 117.35 124.57 2k2e s TYR 17 Ca 0.08 -0.76 0.00 0.00 -2.44 0.00 0.00 57.07 53.95 2k2e s TYR 17 Cb -0.15 -1.39 0.00 0.00 0.35 0.00 0.00 41.96 40.77 2k2e s TYR 17 CO -0.27 -0.31 0.00 0.41 -1.34 0.00 0.00 175.55 174.03 2k2e n GLY 18 N 3.51 0.66 1.16 8.97 0.00 -1.26 -4.94 105.19 113.30 2k2e n GLY 18 Ca -0.20 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.87 2k2e n GLY 18 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k2e n ASP 19 N 0.00 3.33 0.00 1.61 9.92 -1.26 -4.88 116.55 125.27 2k2e n ASP 19 Ca 0.00 -2.39 0.00 0.00 -0.53 0.00 0.00 54.79 51.87 2k2e n ASP 19 Cb 0.00 -0.52 0.00 0.00 -0.64 0.00 0.00 41.12 39.96 2k2e n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k2e n GLY 20 N 0.57 2.77 3.85 0.44 0.00 -1.26 -4.98 105.19 106.58 2k2e n GLY 20 Ca 0.15 -0.72 -0.26 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.60 1.93 -0.24 1.61 1.13 -1.26 -3.56 117.35 116.36 2k2e s TYR 21 Ca 0.00 -0.78 0.02 0.00 -1.41 0.00 0.00 57.07 54.90 2k2e s TYR 21 Cb 0.00 -1.90 0.05 0.00 -1.10 0.00 0.00 41.96 39.00 2k2e s TYR 21 CO 0.00 -0.23 -0.13 0.42 -2.51 0.00 0.00 175.55 173.10 2k2e s ILE 22 N -2.73 2.21 -0.28 -3.49 1.01 -0.72 -4.01 121.20 113.20 2k2e s ILE 22 Ca 0.32 -1.38 -0.21 0.00 0.00 0.00 0.00 60.65 59.38 2k2e s ILE 22 Cb -0.01 -2.18 -0.01 0.00 0.01 0.00 0.00 42.46 40.27 2k2e s ILE 22 CO 0.19 0.15 0.66 -0.70 0.00 0.00 0.00 174.94 175.24 2k2e s GLU 23 N 1.18 4.03 -0.44 2.79 2.12 -0.00 -0.39 118.70 127.97 2k2e s GLU 23 Ca -0.04 0.48 -0.11 0.00 0.36 0.00 0.00 54.97 55.67 2k2e s GLU 23 Cb -0.18 -3.68 0.08 0.00 0.26 0.00 0.00 34.13 30.61 2k2e s GLU 23 CO -0.07 -0.50 0.31 0.08 -0.54 0.00 0.00 175.26 174.54 2k2e s VAL 24 N 2.60 4.48 0.00 3.70 1.01 0.12 -0.52 120.40 131.79 2k2e s VAL 24 Ca 0.27 -1.38 0.00 0.00 0.00 0.00 0.00 61.98 60.87 2k2e s VAL 24 Cb -0.15 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.47 2k2e s VAL 24 CO 0.10 -0.57 0.00 0.59 0.00 0.00 0.00 175.10 175.22 2k2e n ASN 25 N 4.99 0.00 0.00 3.32 3.02 -0.99 -1.37 115.26 124.23 2k2e n ASN 25 Ca -0.10 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 2k2e n ASN 25 Cb 0.43 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 2k2e n ASN 25 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k2e n GLN 26 N 0.00 0.01 -4.65 3.52 6.02 -1.26 -4.84 117.38 116.17 2k2e n GLN 26 Ca 0.00 -0.37 -0.28 0.00 -0.01 0.00 0.00 57.00 56.34 2k2e n GLN 26 Cb 0.00 -0.69 -0.17 0.00 1.02 0.00 0.00 30.24 30.40 2k2e n GLN 26 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2k2e s VAL 27 N -0.10 1.49 -0.39 5.09 1.01 -0.47 -5.10 120.40 121.93 2k2e s VAL 27 Ca 0.00 -0.66 -0.24 0.00 0.00 0.00 0.00 61.98 61.08 2k2e s VAL 27 Cb 0.00 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 35.05 2k2e s VAL 27 CO 0.00 0.44 0.81 -0.13 0.00 0.00 0.00 175.10 176.22 2k2e s ARG 28 N 0.75 3.67 0.05 2.72 0.52 -1.26 0.13 118.95 125.54 2k2e s ARG 28 Ca -0.12 0.25 -0.02 0.00 -0.52 0.00 0.00 55.73 55.32 2k2e s ARG 28 Cb -0.16 -3.85 -0.04 0.00 0.52 0.00 0.00 34.95 31.42 2k2e s ARG 28 CO 0.02 -0.95 0.23 -0.06 0.02 0.00 0.00 175.30 174.56 2k2e s PHE 29 N 3.25 3.52 -0.03 -0.53 0.08 0.47 -4.95 117.98 119.79 2k2e s PHE 29 Ca 0.32 0.33 -0.02 0.00 0.12 0.00 0.00 56.93 57.69 2k2e s PHE 29 Cb -0.12 -1.82 -0.01 0.00 -0.57 0.00 0.00 43.02 40.50 2k2e s PHE 29 CO 0.19 0.58 -0.04 0.66 -0.10 0.00 0.00 175.22 176.52 2k2e h SER 30 N 3.26 0.00 -3.04 1.36 4.64 -1.83 -1.90 113.55 116.02 2k2e h SER 30 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2k2e h SER 30 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2k2e h SER 30 CO 0.73 0.17 0.00 0.00 -0.87 0.00 0.00 176.83 176.86 2k2e n HIS 31 N -2.78 -0.59 -1.25 4.77 1.44 -1.26 -4.49 115.22 111.05 2k2e n HIS 31 Ca -0.01 0.00 -0.49 0.00 -2.01 0.00 0.00 57.72 55.20 2k2e n HIS 31 Cb 0.05 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.10 2k2e n HIS 31 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2k2e n ALA 32 N -3.00 -2.73 -2.38 1.59 0.00 -1.25 -4.66 120.51 108.08 2k2e n ALA 32 Ca 0.00 0.47 -0.09 0.00 0.00 0.00 0.00 53.44 53.83 2k2e n ALA 32 Cb 0.00 -1.45 -0.09 0.00 0.00 0.00 0.00 19.45 17.91 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 0.42 0.13 -0.02 0.00 -4.36 -0.47 -0.32 121.20 116.58 2k2e s ILE 33 Ca 0.76 -1.56 0.01 0.00 -0.26 0.00 0.00 60.65 59.60 2k2e s ILE 33 Cb -1.06 -1.67 0.02 0.00 1.25 0.00 0.00 42.46 40.99 2k2e s ILE 33 CO 0.50 -0.61 -0.02 0.00 0.24 0.00 0.00 174.94 175.05 2k2e s ALA 34 N -3.94 0.35 0.18 2.27 0.00 0.71 -1.42 121.76 119.91 2k2e s ALA 34 Ca 0.13 0.02 -0.19 0.00 0.00 0.00 0.00 51.96 51.92 2k2e s ALA 34 Cb 0.06 -0.24 0.04 0.00 0.00 0.00 0.00 23.12 22.98 2k2e s ALA 34 CO -0.05 -0.01 0.55 -0.59 0.00 0.00 0.00 175.76 175.66 2k2e s PHE 35 N 0.59 -0.27 0.18 0.00 -0.71 -0.63 -0.85 117.98 116.29 2k2e s PHE 35 Ca -0.06 -0.03 0.04 0.00 -1.04 0.00 0.00 56.93 55.84 2k2e s PHE 35 Cb -0.09 0.46 -0.05 0.00 -1.21 0.00 0.00 43.02 42.13 2k2e s PHE 35 CO -0.01 -0.90 -0.07 0.00 -1.34 0.00 0.00 175.22 172.90 2k2e s ALA 36 N -3.83 1.63 0.15 1.99 0.00 -1.24 -1.91 121.76 118.55 2k2e s ALA 36 Ca 0.06 -1.60 -0.25 0.00 0.00 0.00 0.00 51.96 50.17 2k2e s ALA 36 Cb -0.01 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.31 2k2e s ALA 36 CO -0.06 -0.13 1.60 -1.35 0.00 0.00 0.00 175.76 175.81 2k2e h PRO 37 N 2.65 -0.31 -3.24 0.00 0.11 -1.87 -3.34 132.00 126.00 2k2e h PRO 37 Ca -0.37 0.02 -0.59 0.00 0.11 0.00 0.00 66.00 65.17 2k2e h PRO 37 Cb 1.20 0.07 -0.40 0.00 0.11 0.00 0.00 31.00 31.99 2k2e h PRO 37 CO 0.64 -0.21 -0.76 -2.00 -0.21 0.00 0.00 178.00 175.46 2k2e s GLU 38 N -5.98 0.91 0.00 1.05 2.12 -1.26 -3.87 118.70 111.67 2k2e s GLU 38 Ca -0.15 -1.45 0.00 0.00 0.36 0.00 0.00 54.97 53.73 2k2e s GLU 38 Cb 0.12 -2.05 0.00 0.00 0.26 0.00 0.00 34.13 32.46 2k2e s GLU 38 CO 0.67 -1.08 0.00 0.41 -0.54 0.00 0.00 175.26 174.72 2k2e n GLY 39 N 4.27 -0.66 3.73 -1.50 0.00 -1.26 -5.14 105.19 104.64 2k2e n GLY 39 Ca 0.03 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 2k2e n GLY 39 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k2e s PRO 40 N -0.59 4.64 -0.20 1.61 0.04 -1.26 -4.78 135.00 134.46 2k2e s PRO 40 Ca 0.00 1.56 -0.02 0.00 0.04 0.00 0.00 61.00 62.58 2k2e s PRO 40 Cb 0.00 -3.34 -0.00 0.00 0.04 0.00 0.00 34.50 31.20 2k2e s PRO 40 CO 0.00 0.13 -0.09 0.08 0.04 0.00 0.00 177.00 177.16 2k2e s VAL 41 N -0.01 3.02 0.19 -0.36 1.01 -1.26 -3.62 120.40 119.37 2k2e s VAL 41 Ca 0.49 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 2k2e s VAL 41 Cb -0.26 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 2k2e s VAL 41 CO 0.32 0.46 0.21 0.00 0.00 0.00 0.00 175.10 176.09 2k2e s ALA 42 N 1.28 0.61 0.07 5.51 0.00 -0.03 -5.02 121.76 124.17 2k2e s ALA 42 Ca 0.03 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.66 2k2e s ALA 42 Cb -0.14 1.12 -0.04 0.00 0.00 0.00 0.00 23.12 24.06 2k2e s ALA 42 CO -0.04 -0.63 0.22 -1.54 0.00 0.00 0.00 175.76 173.76 2k2e s SER 43 N -3.07 6.36 -0.17 0.00 1.04 -1.26 -0.21 113.70 116.39 2k2e s SER 43 Ca 0.29 0.27 -0.11 0.00 0.48 0.00 0.00 55.95 56.87 2k2e s SER 43 Cb 0.05 -1.96 -0.05 0.00 0.10 0.00 0.00 66.02 64.16 2k2e s SER 43 CO 0.07 0.16 0.20 0.86 0.98 0.00 0.00 173.24 175.52 2k2e s TRP 44 N -1.52 3.46 -0.86 5.02 -0.00 0.56 -4.81 118.94 120.80 2k2e s TRP 44 Ca 0.35 0.48 0.13 0.00 -0.00 0.00 0.00 56.10 57.06 2k2e s TRP 44 Cb -0.13 -2.21 0.58 0.00 -0.00 0.00 0.00 33.47 31.71 2k2e s TRP 44 CO 0.28 0.34 1.41 -0.35 -0.00 0.00 0.00 176.95 178.63 2k2e n PRO 45 N 3.29 0.04 -3.13 5.86 -0.04 -1.26 -4.65 135.00 135.11 2k2e n PRO 45 Ca -0.15 0.36 -0.35 0.00 -0.04 0.00 0.00 63.50 63.33 2k2e n PRO 45 Cb 0.52 -1.60 -0.06 0.00 -0.04 0.00 0.00 33.50 32.33 2k2e n PRO 45 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2k2e s VAL 46 N -3.09 4.62 0.00 0.52 1.01 -1.26 -4.97 120.40 117.23 2k2e s VAL 46 Ca 0.04 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.17 2k2e s VAL 46 Cb 0.07 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.67 2k2e s VAL 46 CO 0.22 0.10 0.23 0.00 0.00 0.00 0.00 175.10 175.65 2k2e n GLN 47 N 0.42 0.08 -4.23 2.72 6.02 -1.26 -4.48 117.38 116.66 2k2e n GLN 47 Ca -0.01 -0.23 -0.18 0.00 -0.01 0.00 0.00 57.00 56.57 2k2e n GLN 47 Cb 0.52 -0.70 -0.15 0.00 1.02 0.00 0.00 30.24 30.93 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 -0.08 0.62 0.00 -1.09 0.52 -1.26 -4.84 118.95 112.83 2k2e s ARG 48 Ca 0.00 -0.20 0.13 0.00 -0.52 0.00 0.00 55.73 55.13 2k2e s ARG 48 Cb 0.00 -0.62 0.61 0.00 0.52 0.00 0.00 34.95 35.46 2k2e s ARG 48 CO 0.00 0.09 1.35 -0.35 0.02 0.00 0.00 175.30 176.40 2k2e n PRO 49 N 3.22 0.13 0.02 3.54 -0.04 -1.26 -1.85 135.00 138.75 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 0.56 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.35 3.61 0.75 0.55 0.00 -1.26 -4.10 120.51 118.71 2k2e n ALA 50 Ca 0.05 -0.45 0.12 0.00 0.00 0.00 0.00 53.44 53.16 2k2e n ALA 50 Cb 0.11 -0.92 0.26 0.00 0.00 0.00 0.00 19.45 18.90 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 -1.88 2.75 -4.68 0.00 8.00 -0.77 -4.93 116.55 115.05 2k2e n ASP 51 Ca 0.02 -1.88 -0.42 0.00 0.71 0.00 0.00 54.79 53.21 2k2e n ASP 51 Cb 0.42 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.34 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 -1.69 4.08 0.47 0.53 1.01 -1.25 -4.99 121.20 119.36 2k2e s ILE 52 Ca 0.35 1.38 0.03 0.00 0.00 0.00 0.00 60.65 62.41 2k2e s ILE 52 Cb 0.21 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 2k2e s ILE 52 CO 0.30 -0.05 0.02 0.42 0.00 0.00 0.00 174.94 175.63 2k2e s THR 53 N 2.86 1.26 0.26 2.92 -4.23 -1.26 -5.02 115.64 112.43 2k2e s THR 53 Ca 0.59 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.07 2k2e s THR 53 Cb -0.26 -2.38 0.14 0.00 1.34 0.00 0.00 72.50 71.34 2k2e s THR 53 CO 0.21 0.00 1.79 0.00 -0.54 0.00 0.00 174.62 176.08 2k2e h ALA 54 N 1.52 1.13 -0.28 3.99 0.00 -1.90 -1.46 119.26 122.26 2k2e h ALA 54 Ca -0.43 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.29 2k2e h ALA 54 Cb 1.29 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 2k2e h ALA 54 CO 0.73 0.58 0.07 0.77 0.00 0.00 0.00 179.25 181.40 2k2e h SER 55 N 0.84 0.06 0.49 0.00 0.02 -1.96 -0.29 113.55 112.71 2k2e h SER 55 Ca 0.18 0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 61.05 2k2e h SER 55 Cb 0.35 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 2k2e h SER 55 CO 0.00 0.07 -0.53 -0.07 -1.14 0.00 0.00 176.83 175.16 2k2e h LEU 56 N 0.19 0.04 -0.62 5.07 3.38 -1.89 -2.46 115.31 119.03 2k2e h LEU 56 Ca 0.13 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 2k2e h LEU 56 Cb 0.11 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2k2e h LEU 56 CO -0.15 0.57 -0.13 -0.07 0.09 0.00 0.00 178.44 178.74 2k2e h LEU 57 N 0.03 0.96 -1.02 1.67 3.38 -0.75 -0.38 115.31 119.20 2k2e h LEU 57 Ca -0.00 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 57.69 2k2e h LEU 57 Cb 0.95 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.38 2k2e h LEU 57 CO 0.07 1.09 0.65 1.56 0.09 0.00 0.00 178.44 181.90 2k2e h GLN 58 N 0.85 1.20 -0.35 1.13 4.20 -0.62 -0.89 115.11 120.63 2k2e h GLN 58 Ca 0.13 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.67 2k2e h GLN 58 Cb 0.68 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 2k2e h GLN 58 CO 0.05 0.79 -0.18 1.96 -0.67 0.00 0.00 178.83 180.79 2k2e h GLN 59 N 1.23 0.74 0.00 1.46 4.20 -1.14 -3.03 115.11 118.58 2k2e h GLN 59 Ca 0.41 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2k2e h GLN 59 Cb 0.06 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.82 2k2e h GLN 59 CO -0.14 0.94 0.00 0.00 -0.67 0.00 0.00 178.83 178.96 2k2e n ALA 60 N -2.47 1.64 0.43 3.87 0.00 -0.18 -1.91 120.51 121.90 2k2e n ALA 60 Ca -0.02 0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.57 2k2e n ALA 60 Cb 0.41 -1.33 0.44 0.00 0.00 0.00 0.00 19.45 18.96 2k2e n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k2e n ALA 61 N -1.69 1.67 -0.62 0.00 0.00 -0.41 -4.86 120.51 114.60 2k2e n ALA 61 Ca 0.02 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2k2e n ALA 61 Cb 0.20 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 0.02 1.18 0.37 0.00 0.00 -0.80 -4.76 105.19 101.19 2k2e n GLY 62 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 1.12 -4.14 0.99 4.77 -1.26 -4.61 117.00 113.87 2k2e n LEU 63 Ca 0.00 -0.44 -0.43 0.00 -0.03 0.00 0.00 56.01 55.12 2k2e n LEU 63 Cb 0.00 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2k2e n LEU 63 CO 0.00 0.22 2.03 0.00 -1.33 0.00 0.00 177.39 178.30 2k2e n ALA 64 N -0.07 4.62 -2.65 -1.18 0.00 -1.26 -4.92 120.51 115.04 2k2e n ALA 64 Ca 0.17 -4.07 -0.43 0.00 0.00 0.00 0.00 53.44 49.11 2k2e n ALA 64 Cb 0.26 -3.30 -0.06 0.00 0.00 0.00 0.00 19.45 16.36 2k2e n ALA 64 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2k2e s GLU 65 N 2.34 3.24 0.12 0.00 0.41 -1.26 -4.91 118.70 118.65 2k2e s GLU 65 Ca 0.46 -0.52 -0.09 0.00 -0.41 0.00 0.00 54.97 54.40 2k2e s GLU 65 Cb 0.07 -4.04 -0.09 0.00 -1.78 0.00 0.00 34.13 28.29 2k2e s GLU 65 CO -0.00 -1.24 1.35 0.28 -0.49 0.00 0.00 175.26 175.16 2k2e h VAL 66 N 5.92 1.30 -3.18 2.63 2.07 -2.00 -3.40 116.25 119.59 2k2e h VAL 66 Ca -0.26 -1.99 -0.58 0.00 0.82 0.00 0.00 66.70 64.68 2k2e h VAL 66 Cb 1.09 1.98 -0.10 0.00 -1.52 0.00 0.00 31.29 32.75 2k2e h VAL 66 CO 0.98 0.63 0.79 -0.69 0.02 0.00 0.00 177.57 179.30 2k2e s VAL 67 N -3.75 4.18 -0.77 2.57 1.01 -1.26 -4.95 120.40 117.44 2k2e s VAL 67 Ca -0.09 0.61 0.03 0.00 0.00 0.00 0.00 61.98 62.53 2k2e s VAL 67 Cb 0.09 -4.65 0.19 0.00 0.00 0.00 0.00 36.38 32.01 2k2e s VAL 67 CO 0.89 -1.25 0.61 0.54 0.00 0.00 0.00 175.10 175.88 2k2e n ARG 68 N 8.02 2.14 0.09 2.72 1.74 -1.26 -4.78 116.66 125.32 2k2e n ARG 68 Ca 0.05 -4.50 0.00 0.00 -0.77 0.00 0.00 57.85 52.63 2k2e n ARG 68 Cb 0.48 -2.33 0.00 0.00 -1.02 0.00 0.00 32.46 29.60 2k2e n ARG 68 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2k2e n ASP 69 N 1.99 0.07 0.03 0.55 8.00 -1.26 -4.85 116.55 121.08 2k2e n ASP 69 Ca 0.21 0.29 0.05 0.00 0.71 0.00 0.00 54.79 56.05 2k2e n ASP 69 Cb 0.36 0.18 0.24 0.00 -0.02 0.00 0.00 41.12 41.87 2k2e n ASP 69 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2k2e n PRO 70 N -3.22 0.03 0.15 -0.24 -0.04 -1.26 -1.12 135.00 129.31 2k2e n PRO 70 Ca 0.00 0.39 0.13 0.00 -0.04 0.00 0.00 63.50 63.98 2k2e n PRO 70 Cb 0.04 -1.58 0.31 0.00 -0.04 0.00 0.00 33.50 32.22 2k2e n PRO 70 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2k2e h LEU 71 N 0.00 0.00 -9.79 1.53 5.85 -1.90 -3.45 115.31 107.55 2k2e h LEU 71 Ca 0.00 -0.00 -0.59 0.00 0.84 0.00 0.00 57.88 58.13 2k2e h LEU 71 Cb 0.15 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 2k2e h LEU 71 CO 0.00 0.00 -0.23 0.00 -0.34 0.00 0.00 178.44 177.87 2k2e s ALA 72 N -3.15 3.71 0.33 1.25 0.00 -0.27 -5.10 121.76 118.54 2k2e s ALA 72 Ca 0.09 -0.34 0.01 0.00 0.00 0.00 0.00 51.96 51.72 2k2e s ALA 72 Cb 0.09 -2.30 -0.00 0.00 0.00 0.00 0.00 23.12 20.91 2k2e s ALA 72 CO 0.63 0.55 0.03 1.19 0.00 0.00 0.00 175.76 178.16 2k2e n PHE 73 N 1.06 0.58 1.20 0.00 3.72 -1.26 -5.03 117.46 117.73 2k2e n PHE 73 Ca -0.09 -1.77 0.13 0.00 -0.05 0.00 0.00 57.45 55.67 2k2e n PHE 73 Cb 0.52 -0.16 0.26 0.00 -0.94 0.00 0.00 39.48 39.17 2k2e n PHE 73 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 2k2e n LEU 74 N 0.00 2.14 0.00 4.37 7.94 -1.26 -4.93 117.00 125.26 2k2e n LEU 74 Ca -0.11 -0.72 -0.06 0.00 -1.11 0.00 0.00 56.01 54.01 2k2e n LEU 74 Cb 0.44 -0.01 -0.02 0.00 0.53 0.00 0.00 43.42 44.36 2k2e n LEU 74 CO 0.23 0.36 0.02 -0.90 -1.11 0.00 0.00 177.39 176.00 2k2e n ASP 75 N 0.54 -0.42 -3.86 1.96 5.75 -1.26 -5.19 116.55 114.07 2k2e n ASP 75 Ca 0.15 -1.76 -0.12 0.00 -0.01 0.00 0.00 54.79 53.05 2k2e n ASP 75 Cb 0.47 0.84 -0.12 0.00 -1.03 0.00 0.00 41.12 41.28 2k2e n ASP 75 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 2k2e s GLU 76 N -2.38 0.22 0.00 0.11 -1.05 -1.26 -5.02 118.70 109.32 2k2e s GLU 76 Ca 0.13 -0.05 0.27 0.00 -0.15 0.00 0.00 54.97 55.17 2k2e s GLU 76 Cb 0.00 0.09 0.93 0.00 -0.44 0.00 0.00 34.13 34.72 2k2e s GLU 76 CO 0.09 -0.04 1.67 -0.35 0.95 0.00 0.00 175.26 177.59 2k2e n PRO 77 N 2.55 1.09 0.00 -4.83 -0.04 -1.26 -4.98 135.00 127.52 2k2e n PRO 77 Ca -0.16 -0.60 0.00 0.00 -0.04 0.00 0.00 63.50 62.70 2k2e n PRO 77 Cb 0.58 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 2k2e n PRO 77 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k2e n GLU 78 N -0.43 0.00 0.14 0.54 1.02 -1.26 -3.29 120.64 117.35 2k2e n GLU 78 Ca 0.15 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.30 2k2e n GLU 78 Cb 0.34 0.00 0.13 0.00 -0.02 0.00 0.00 31.44 31.88 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 -0.37 0.76 -0.45 0.62 0.00 -2.05 -3.23 119.26 114.53 2k2e h ALA 79 Ca 0.00 -0.53 -0.32 0.00 0.00 0.00 0.00 54.91 54.07 2k2e h ALA 79 Cb 0.00 -0.09 -0.13 0.00 0.00 0.00 0.00 17.79 17.56 2k2e h ALA 79 CO 0.00 0.72 0.38 0.41 0.00 0.00 0.00 179.25 180.77 2k2e n GLY 80 N 0.76 4.03 0.75 0.00 0.00 -1.21 -4.13 105.19 105.39 2k2e n GLY 80 Ca 0.00 -1.10 0.12 0.00 0.00 0.00 0.00 46.02 45.04 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 0.47 2.89 -0.92 4.61 0.00 -1.22 -4.81 120.51 121.53 2k2e n ALA 81 Ca 0.30 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2k2e n ALA 81 Cb 0.58 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.20 2k2e n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k2e n GLY 82 N 1.37 0.60 0.38 0.00 0.00 -1.26 -5.01 105.19 101.27 2k2e n GLY 82 Ca 0.12 -0.33 0.08 0.00 0.00 0.00 0.00 46.02 45.89 2k2e n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2e n ALA 83 N -0.57 3.18 -2.68 4.61 0.00 -1.26 -4.98 120.51 118.82 2k2e n ALA 83 Ca 0.00 -0.55 -0.23 0.00 0.00 0.00 0.00 53.44 52.66 2k2e n ALA 83 Cb 0.25 -0.58 -0.07 0.00 0.00 0.00 0.00 19.45 19.05 2k2e n ALA 83 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k2e s ARG 84 N -1.92 2.42 0.00 0.00 0.52 -1.26 -5.00 118.95 113.71 2k2e s ARG 84 Ca 0.14 -1.30 0.00 0.00 -0.52 0.00 0.00 55.73 54.05 2k2e s ARG 84 Cb 0.13 -2.27 0.00 0.00 0.52 0.00 0.00 34.95 33.34 2k2e s ARG 84 CO 0.41 0.39 0.96 -2.30 0.02 0.00 0.00 175.30 174.78 2k2e n PRO 85 N -0.80 0.50 -0.07 3.54 -0.02 -1.26 -3.55 135.00 133.35 2k2e n PRO 85 Ca -0.07 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.52 2k2e n PRO 85 Cb 0.58 -1.25 0.14 0.00 -0.02 0.00 0.00 33.50 32.95 2k2e n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k2e n ALA 86 N 1.66 2.45 -0.01 3.55 0.00 -1.26 -4.25 120.51 122.65 2k2e n ALA 86 Ca 0.00 -0.80 -0.01 0.00 0.00 0.00 0.00 53.44 52.63 2k2e n ALA 86 Cb 0.25 -0.82 -0.01 0.00 0.00 0.00 0.00 19.45 18.87 2k2e n ALA 86 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2k2e n ASN 87 N 1.38 4.47 -4.73 0.00 5.03 -1.23 -5.02 115.26 115.16 2k2e n ASN 87 Ca 0.16 -0.00 -0.40 0.00 0.87 0.00 0.00 54.58 55.21 2k2e n ASN 87 Cb 0.60 0.44 -0.05 0.00 -1.02 0.00 0.00 39.78 39.75 2k2e n ASN 87 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k2e s ALA 88 N -2.04 3.34 0.72 5.41 0.00 -1.26 -4.98 121.76 122.94 2k2e s ALA 88 Ca -0.01 0.24 -0.14 0.00 0.00 0.00 0.00 51.96 52.05 2k2e s ALA 88 Cb 0.01 -3.00 0.03 0.00 0.00 0.00 0.00 23.12 20.15 2k2e s ALA 88 CO 0.06 -0.03 1.14 -2.14 0.00 0.00 0.00 175.76 174.80 2k2e s PRO 89 N 0.39 2.35 -0.10 0.00 0.02 -1.26 -4.92 135.00 131.47 2k2e s PRO 89 Ca 0.39 1.51 -0.19 0.00 0.02 0.00 0.00 61.00 62.73 2k2e s PRO 89 Cb -0.19 -1.88 -0.28 0.00 0.02 0.00 0.00 34.50 32.17 2k2e s PRO 89 CO 0.21 -1.62 0.63 1.49 -0.33 0.00 0.00 177.00 177.38 2k2e h GLU 90 N -0.39 0.22 -4.38 5.54 4.81 -1.20 -3.25 114.58 115.93 2k2e h GLU 90 Ca -0.46 -0.38 -0.42 0.00 -0.13 0.00 0.00 59.36 57.97 2k2e h GLU 90 Cb 1.26 0.14 -0.32 0.00 0.63 0.00 0.00 28.75 30.47 2k2e h GLU 90 CO 0.51 1.18 -0.78 0.54 -0.73 0.00 0.00 179.01 179.73 2k2e s VAL 91 N -2.44 0.69 -0.31 0.32 0.11 -1.01 0.27 120.40 118.04 2k2e s VAL 91 Ca -0.19 -0.28 -0.04 0.00 -2.93 0.00 0.00 61.98 58.54 2k2e s VAL 91 Cb 0.03 -0.64 0.04 0.00 -1.53 0.00 0.00 36.38 34.28 2k2e s VAL 91 CO 0.76 0.23 0.05 -0.22 -3.33 0.00 0.00 175.10 172.60 2k2e s LEU 92 N 0.42 4.05 -0.39 2.54 2.96 0.14 -1.72 118.68 126.68 2k2e s LEU 92 Ca -0.06 -1.14 -0.21 0.00 -0.22 0.00 0.00 54.13 52.50 2k2e s LEU 92 Cb -0.10 -1.80 0.01 0.00 0.50 0.00 0.00 46.19 44.80 2k2e s LEU 92 CO 0.01 -0.28 0.67 -0.76 -1.32 0.00 0.00 176.35 174.67 2k2e s LEU 93 N 1.35 4.29 -0.24 -0.68 1.43 0.39 -0.30 118.68 124.91 2k2e s LEU 93 Ca -0.03 0.04 -0.05 0.00 -1.03 0.00 0.00 54.13 53.06 2k2e s LEU 93 Cb -0.19 -2.82 -0.00 0.00 0.03 0.00 0.00 46.19 43.20 2k2e s LEU 93 CO 0.01 -0.69 -0.00 -0.69 0.23 0.00 0.00 176.35 175.21 2k2e s VAL 94 N 2.85 3.60 -0.58 -1.59 1.01 0.59 0.10 120.40 126.37 2k2e s VAL 94 Ca 0.25 -0.54 -0.20 0.00 0.00 0.00 0.00 61.98 61.50 2k2e s VAL 94 Cb -0.14 -2.71 0.08 0.00 0.00 0.00 0.00 36.38 33.61 2k2e s VAL 94 CO 0.17 0.32 0.75 -0.83 0.00 0.00 0.00 175.10 175.50 2k2e s GLY 95 N 1.49 1.67 -0.89 4.51 0.00 0.56 -0.60 107.32 114.06 2k2e s GLY 95 Ca 0.05 -2.00 -0.07 0.00 0.00 0.00 0.00 44.72 42.70 2k2e s GLY 95 CO -0.01 1.68 2.76 -1.30 0.00 0.00 0.00 173.10 176.22 2k2e n THR 96 N 5.67 3.18 0.00 0.90 -2.24 0.04 -1.72 114.28 120.10 2k2e n THR 96 Ca -0.07 -1.81 0.00 0.00 -2.27 0.00 0.00 64.05 59.89 2k2e n THR 96 Cb 0.44 -2.25 0.00 0.00 -2.10 0.00 0.00 70.33 66.42 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 3.30 1.72 0.12 3.38 0.00 -1.23 -3.44 105.19 109.04 2k2e n GLY 97 Ca 0.55 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 46.39 2k2e n GLY 97 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k2e n ARG 98 N 0.00 0.68 -4.00 1.61 0.63 -1.26 -4.24 116.66 110.08 2k2e n ARG 98 Ca 0.00 0.15 -0.08 0.00 -0.92 0.00 0.00 57.85 57.00 2k2e n ARG 98 Cb 0.00 -1.60 -0.09 0.00 0.45 0.00 0.00 32.46 31.22 2k2e n ARG 98 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2k2e s ARG 99 N -2.53 0.69 -0.23 -0.14 0.52 -1.22 -4.80 118.95 111.24 2k2e s ARG 99 Ca -0.20 -1.11 -0.28 0.00 -0.52 0.00 0.00 55.73 53.62 2k2e s ARG 99 Cb 0.07 0.26 -0.04 0.00 0.52 0.00 0.00 34.95 35.76 2k2e s ARG 99 CO 0.74 -0.16 2.05 -1.14 0.02 0.00 0.00 175.30 176.80 2k2e s GLN 100 N -3.83 3.31 -0.25 3.54 0.74 -1.26 -4.38 119.66 117.54 2k2e s GLN 100 Ca 0.06 1.90 -0.03 0.00 0.05 0.00 0.00 55.36 57.34 2k2e s GLN 100 Cb 0.06 -4.29 0.02 0.00 1.10 0.00 0.00 33.01 29.90 2k2e s GLN 100 CO -0.10 -1.89 -0.04 -1.58 -0.55 0.00 0.00 175.29 171.12 2k2e s HIS 101 N 7.42 3.05 0.41 1.67 5.65 -1.26 -4.90 115.29 127.33 2k2e s HIS 101 Ca 0.92 -1.36 -0.26 0.00 0.25 0.00 0.00 55.06 54.62 2k2e s HIS 101 Cb -0.31 -2.09 -0.09 0.00 -1.18 0.00 0.00 32.58 28.92 2k2e s HIS 101 CO 0.35 -0.68 1.28 -0.51 -0.65 0.00 0.00 174.74 174.53 2k2e s LEU 102 N 1.38 4.20 0.00 8.88 1.43 -1.26 -4.74 118.68 128.57 2k2e s LEU 102 Ca 0.02 2.59 0.00 0.00 -1.03 0.00 0.00 54.13 55.71 2k2e s LEU 102 Cb -0.16 -3.93 0.00 0.00 0.03 0.00 0.00 46.19 42.12 2k2e s LEU 102 CO -0.03 -0.83 0.00 0.18 0.23 0.00 0.00 176.35 175.90 2k2e n LEU 103 N 0.10 0.00 -4.75 1.79 4.77 -1.26 -5.12 117.00 112.53 2k2e n LEU 103 Ca 0.04 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.70 2k2e n LEU 103 Cb 0.44 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.46 2k2e n LEU 103 CO 0.55 -0.24 -0.28 -0.83 -1.33 0.00 0.00 177.39 175.25 2k2e s GLY 104 N -1.48 1.98 0.23 -0.72 0.00 -1.26 -5.02 107.32 101.05 2k2e s GLY 104 Ca 0.00 -0.97 -0.06 0.00 0.00 0.00 0.00 44.72 43.69 2k2e s GLY 104 CO 0.00 -0.89 1.83 -0.56 0.00 0.00 0.00 173.10 173.48 2k2e h PRO 105 N 3.78 0.83 0.00 2.90 0.13 -1.99 -0.70 132.00 136.96 2k2e h PRO 105 Ca -0.48 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2k2e h PRO 105 Cb 1.17 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2k2e h PRO 105 CO 0.62 0.55 0.00 0.39 -0.23 0.00 0.00 178.00 179.33 2k2e n GLU 106 N -4.69 0.89 -0.08 0.86 -0.58 -1.26 -0.19 120.64 115.59 2k2e n GLU 106 Ca 0.12 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.66 2k2e n GLU 106 Cb 0.20 -1.39 -0.13 0.00 -0.57 0.00 0.00 31.44 29.55 2k2e n GLU 106 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2k2e n GLN 107 N -0.89 0.69 0.04 3.49 6.02 -0.30 -4.53 117.38 121.90 2k2e n GLN 107 Ca 0.17 0.19 0.03 0.00 -0.01 0.00 0.00 57.00 57.38 2k2e n GLN 107 Cb 0.08 -1.59 -0.07 0.00 1.02 0.00 0.00 30.24 29.67 2k2e n GLN 107 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2k2e n VAL 108 N -3.35 1.03 -0.20 5.09 0.24 -1.01 -4.22 118.33 115.91 2k2e n VAL 108 Ca -0.41 -0.66 -0.04 0.00 -2.04 0.00 0.00 64.34 61.20 2k2e n VAL 108 Cb 1.01 -0.62 0.14 0.00 -1.47 0.00 0.00 33.84 32.90 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 0.00 0.99 -0.89 7.34 2.43 -0.82 -0.22 114.38 123.22 2k2e h ARG 109 Ca -0.13 -0.19 0.23 0.00 -0.81 0.00 0.00 59.98 59.08 2k2e h ARG 109 Cb 1.46 -0.16 -0.13 0.00 -0.42 0.00 0.00 29.97 30.72 2k2e h ARG 109 CO 0.03 0.84 0.33 -1.35 -1.51 0.00 0.00 179.97 178.31 2k2e h PRO 110 N 0.96 0.30 -0.02 0.20 0.11 -1.80 0.37 132.00 132.13 2k2e h PRO 110 Ca 0.22 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 66.09 2k2e h PRO 110 Cb 0.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.29 2k2e h PRO 110 CO -0.01 0.20 -0.92 -0.07 -0.21 0.00 0.00 178.00 176.99 2k2e h LEU 111 N 0.31 0.58 -1.77 2.35 3.38 -1.57 -3.06 115.31 115.52 2k2e h LEU 111 Ca 0.56 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2k2e h LEU 111 Cb 1.10 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2k2e h LEU 111 CO -0.58 1.24 0.02 -0.07 0.09 0.00 0.00 178.44 179.14 2k2e h LEU 112 N 0.26 0.14 -1.41 1.67 3.38 0.55 0.27 115.31 120.17 2k2e h LEU 112 Ca -0.08 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2k2e h LEU 112 Cb 1.55 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.26 2k2e h LEU 112 CO 0.16 0.16 -0.12 0.00 0.09 0.00 0.00 178.44 178.73 2k2e h ALA 113 N 1.87 1.05 0.01 1.53 0.00 -0.23 -2.32 119.26 121.16 2k2e h ALA 113 Ca 0.04 -0.11 -0.28 0.00 0.00 0.00 0.00 54.91 54.56 2k2e h ALA 113 Cb 0.08 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2k2e h ALA 113 CO -0.00 0.15 -1.57 0.52 0.00 0.00 0.00 179.25 178.35 2k2e h MET 114 N 0.00 0.02 0.00 0.00 2.86 -1.03 -3.48 114.93 113.30 2k2e h MET 114 Ca -0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2k2e h MET 114 Cb 0.58 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.25 2k2e h MET 114 CO 0.02 0.65 0.00 0.41 1.06 0.00 0.00 176.91 179.04 2k2e n GLY 115 N 1.53 1.15 3.47 8.32 0.00 0.07 -4.90 105.19 114.84 2k2e n GLY 115 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.75 5.20 -0.20 1.61 1.01 0.74 -4.29 120.40 122.71 2k2e s VAL 116 Ca 0.00 -0.54 -0.23 0.00 0.00 0.00 0.00 61.98 61.21 2k2e s VAL 116 Cb 0.00 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 2k2e s VAL 116 CO 0.00 -0.34 0.71 -0.83 0.00 0.00 0.00 175.10 174.64 2k2e s GLY 117 N 1.72 2.02 -0.20 4.51 0.00 0.14 -2.66 107.32 112.85 2k2e s GLY 117 Ca 0.07 -0.17 -0.16 0.00 0.00 0.00 0.00 44.72 44.46 2k2e s GLY 117 CO 0.11 1.48 0.40 0.14 0.00 0.00 0.00 173.10 175.24 2k2e s VAL 118 N 2.12 5.20 -0.41 1.40 1.01 -1.26 0.26 120.40 128.72 2k2e s VAL 118 Ca 0.32 0.71 -0.06 0.00 0.00 0.00 0.00 61.98 62.96 2k2e s VAL 118 Cb -0.16 -3.73 0.09 0.00 0.00 0.00 0.00 36.38 32.58 2k2e s VAL 118 CO 0.11 0.25 0.22 -1.61 0.00 0.00 0.00 175.10 174.06 2k2e s GLU 119 N 1.32 2.35 -0.44 2.72 0.41 0.59 -4.94 118.70 120.72 2k2e s GLU 119 Ca 0.19 -1.60 -0.20 0.00 -0.41 0.00 0.00 54.97 52.96 2k2e s GLU 119 Cb -0.15 -3.65 0.02 0.00 -1.78 0.00 0.00 34.13 28.58 2k2e s GLU 119 CO 0.08 -0.98 0.58 0.00 -0.49 0.00 0.00 175.26 174.45 2k2e s ALA 120 N 1.29 3.37 0.25 5.21 0.00 -1.26 -0.30 121.76 130.33 2k2e s ALA 120 Ca 0.04 -1.33 0.04 0.00 0.00 0.00 0.00 51.96 50.71 2k2e s ALA 120 Cb -0.23 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 2k2e s ALA 120 CO -0.01 -1.74 0.25 -1.33 0.00 0.00 0.00 175.76 172.93 2k2e n MET 121 N 6.06 0.36 -1.73 0.00 2.81 0.23 -4.55 117.12 120.29 2k2e n MET 121 Ca -0.04 -2.39 -0.38 0.00 -1.81 0.00 0.00 57.70 53.08 2k2e n MET 121 Cb 0.48 2.03 0.05 0.00 -0.71 0.00 0.00 33.22 35.07 2k2e n MET 121 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2k2e n ASP 122 N -1.96 2.42 -0.22 7.83 9.92 -1.26 -0.78 116.55 132.49 2k2e n ASP 122 Ca 0.05 0.92 -0.01 0.00 -0.53 0.00 0.00 54.79 55.22 2k2e n ASP 122 Cb 0.45 -1.56 0.10 0.00 -0.64 0.00 0.00 41.12 39.47 2k2e n ASP 122 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2k2e h THR 123 N 1.10 0.91 -0.45 -3.53 2.02 -1.80 0.23 112.91 111.38 2k2e h THR 123 Ca -0.51 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 66.43 2k2e h THR 123 Cb 1.32 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 2k2e h THR 123 CO 0.55 0.11 0.14 -0.61 0.37 0.00 0.00 175.52 176.09 2k2e h GLN 124 N 0.60 0.70 -0.65 6.66 4.15 -1.91 -0.86 115.11 123.81 2k2e h GLN 124 Ca 0.30 -0.15 -0.03 0.00 0.77 0.00 0.00 58.65 59.54 2k2e h GLN 124 Cb 0.26 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.81 2k2e h GLN 124 CO -0.22 0.68 0.27 0.00 -1.93 0.00 0.00 178.83 177.62 2k2e h ALA 125 N 1.00 0.84 -0.25 3.38 0.00 -1.67 0.11 119.26 122.67 2k2e h ALA 125 Ca 0.15 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2k2e h ALA 125 Cb 0.26 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2k2e h ALA 125 CO -0.00 0.45 0.01 0.00 0.00 0.00 0.00 179.25 179.70 2k2e h ALA 126 N 1.11 0.33 -0.76 0.00 0.00 -0.45 -0.98 119.26 118.52 2k2e h ALA 126 Ca 0.22 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2k2e h ALA 126 Cb 0.19 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2k2e h ALA 126 CO -0.02 0.06 0.28 0.00 0.00 0.00 0.00 179.25 179.57 2k2e h ALA 127 N 0.82 1.06 0.01 0.00 0.00 -0.95 0.23 119.26 120.43 2k2e h ALA 127 Ca 0.07 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2k2e h ALA 127 Cb 0.40 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2k2e h ALA 127 CO 0.01 0.66 -0.00 -0.09 0.00 0.00 0.00 179.25 179.82 2k2e h ARG 128 N 1.11 -0.01 -0.35 0.00 2.43 -0.66 -0.86 114.38 116.05 2k2e h ARG 128 Ca 0.25 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.36 2k2e h ARG 128 Cb 0.25 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 2k2e h ARG 128 CO -0.02 0.05 -0.04 1.15 -1.51 0.00 0.00 179.97 179.61 2k2e h THR 129 N -0.07 1.21 -0.30 0.20 2.02 -0.92 -2.74 112.91 112.32 2k2e h THR 129 Ca -0.00 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.29 2k2e h THR 129 Cb 0.06 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 2k2e h THR 129 CO 0.00 0.30 0.16 0.22 0.37 0.00 0.00 175.52 176.58 2k2e h TYR 130 N 0.53 0.41 -0.64 3.16 3.20 -0.13 0.39 116.97 123.88 2k2e h TYR 130 Ca 0.11 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.04 2k2e h TYR 130 Cb 0.40 -0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.48 2k2e h TYR 130 CO 0.01 0.33 0.33 -0.97 -1.64 0.00 0.00 178.16 176.23 2k2e h ASN 131 N 0.36 0.46 0.23 -2.11 -0.73 -0.91 -0.13 115.58 112.75 2k2e h ASN 131 Ca 0.10 0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.31 2k2e h ASN 131 Cb 0.06 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 38.61 2k2e h ASN 131 CO -0.02 0.29 -0.11 0.40 -0.37 0.00 0.00 177.43 177.62 2k2e h ILE 132 N 0.60 0.79 -0.98 2.57 2.04 -1.18 -3.18 117.51 118.16 2k2e h ILE 132 Ca 0.30 -0.82 0.07 0.00 1.00 0.00 0.00 64.86 65.40 2k2e h ILE 132 Cb 0.24 1.21 -0.07 0.00 -0.74 0.00 0.00 36.82 37.47 2k2e h ILE 132 CO -0.21 0.16 0.63 0.25 0.00 0.00 0.00 178.15 178.98 2k2e h LEU 133 N -0.78 1.00 -1.34 1.44 7.12 -0.05 0.20 115.31 122.90 2k2e h LEU 133 Ca -0.03 0.01 0.03 0.00 0.13 0.00 0.00 57.88 58.02 2k2e h LEU 133 Cb 0.51 -0.20 -0.04 0.00 -0.53 0.00 0.00 40.66 40.40 2k2e h LEU 133 CO 0.05 0.63 0.47 -0.03 -0.13 0.00 0.00 178.44 179.43 2k2e h MET 134 N 1.14 0.84 0.00 1.25 4.05 -1.10 0.04 114.93 121.15 2k2e h MET 134 Ca 0.43 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.80 2k2e h MET 134 Cb 0.19 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 2k2e h MET 134 CO -0.18 0.56 -0.24 0.00 0.23 0.00 0.00 176.91 177.28 2k2e n ALA 135 N -2.44 2.64 0.01 0.39 0.00 -0.06 -3.62 120.51 117.44 2k2e n ALA 135 Ca 0.09 -0.15 -0.16 0.00 0.00 0.00 0.00 53.44 53.22 2k2e n ALA 135 Cb 0.12 -1.34 -0.14 0.00 0.00 0.00 0.00 19.45 18.09 2k2e n ALA 135 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2k2e h GLU 136 N 0.00 0.17 0.00 0.00 4.39 0.06 -3.48 114.58 115.73 2k2e h GLU 136 Ca 0.00 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.41 2k2e h GLU 136 Cb 0.66 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 2k2e h GLU 136 CO 0.00 0.95 0.00 0.41 -1.16 0.00 0.00 179.01 179.21 2k2e n GLY 137 N 1.75 -0.60 3.51 -3.84 0.00 -0.14 -5.08 105.19 100.79 2k2e n GLY 137 Ca -0.22 0.80 -0.13 0.00 0.00 0.00 0.00 46.02 46.47 2k2e n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k2e n ARG 138 N 0.00 0.27 -1.92 1.61 1.74 -1.24 -4.42 116.66 112.69 2k2e n ARG 138 Ca 0.00 -1.01 0.01 0.00 -0.77 0.00 0.00 57.85 56.08 2k2e n ARG 138 Cb 0.00 -3.27 0.03 0.00 -1.02 0.00 0.00 32.46 28.19 2k2e n ARG 138 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2k2e n ARG 139 N 7.82 0.62 -4.75 5.56 1.74 -1.26 -5.05 116.66 121.34 2k2e n ARG 139 Ca 0.43 -2.24 -0.24 0.00 -0.77 0.00 0.00 57.85 55.03 2k2e n ARG 139 Cb 0.42 -0.37 -0.15 0.00 -1.02 0.00 0.00 32.46 31.34 2k2e n ARG 139 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2k2e s VAL 140 N -1.11 1.29 0.03 1.55 0.11 -1.26 -0.89 120.40 120.12 2k2e s VAL 140 Ca 0.25 -0.73 0.07 0.00 -2.93 0.00 0.00 61.98 58.64 2k2e s VAL 140 Cb 0.32 -1.08 -0.02 0.00 -1.53 0.00 0.00 36.38 34.06 2k2e s VAL 140 CO -0.10 0.34 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.11 2k2e s VAL 141 N -0.42 1.64 -0.02 2.04 1.01 -0.70 -4.50 120.40 119.46 2k2e s VAL 141 Ca 0.06 -1.12 0.08 0.00 0.00 0.00 0.00 61.98 61.00 2k2e s VAL 141 Cb -0.06 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 2k2e s VAL 141 CO -0.00 0.25 -0.25 0.54 0.00 0.00 0.00 175.10 175.64 2k2e s VAL 142 N -0.73 1.99 -0.22 2.92 0.11 -0.80 -0.46 120.40 123.19 2k2e s VAL 142 Ca 0.07 -1.08 -0.01 0.00 -2.93 0.00 0.00 61.98 58.03 2k2e s VAL 142 Cb -0.09 -1.65 0.06 0.00 -1.53 0.00 0.00 36.38 33.18 2k2e s VAL 142 CO 0.01 0.56 -0.00 0.00 -3.33 0.00 0.00 175.10 172.33 2k2e s ALA 143 N -0.60 1.55 -0.05 1.54 0.00 0.11 -1.60 121.76 122.72 2k2e s ALA 143 Ca 0.10 -1.12 0.05 0.00 0.00 0.00 0.00 51.96 50.99 2k2e s ALA 143 Cb -0.10 -1.35 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 2k2e s ALA 143 CO -0.01 -1.22 -0.19 -0.51 0.00 0.00 0.00 175.76 173.83 2k2e s LEU 144 N 1.60 2.45 -0.59 0.00 1.43 -0.51 -0.32 118.68 122.73 2k2e s LEU 144 Ca -0.03 -0.32 -0.07 0.00 -1.03 0.00 0.00 54.13 52.69 2k2e s LEU 144 Cb -0.18 -1.47 0.15 0.00 0.03 0.00 0.00 46.19 44.72 2k2e s LEU 144 CO -0.08 0.32 0.44 -0.76 0.23 0.00 0.00 176.35 176.50 2k2e s LEU 145 N -0.57 5.64 -0.10 1.79 1.02 -0.70 -1.37 118.68 124.39 2k2e s LEU 145 Ca 0.08 -2.45 0.09 0.00 0.02 0.00 0.00 54.13 51.87 2k2e s LEU 145 Cb -0.11 -1.96 0.44 0.00 0.02 0.00 0.00 46.19 44.58 2k2e s LEU 145 CO 0.01 -0.52 1.23 -0.81 0.02 0.00 0.00 176.35 176.27 2k2e n PRO 146 N 4.12 2.88 -1.48 1.29 -0.04 -1.26 -3.47 135.00 137.04 2k2e n PRO 146 Ca 0.03 -1.70 -0.54 0.00 -0.04 0.00 0.00 63.50 61.26 2k2e n PRO 146 Cb 0.41 -1.78 -0.08 0.00 -0.04 0.00 0.00 33.50 32.01 2k2e n PRO 146 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2k2e n ASP 147 N 0.44 2.03 0.00 3.54 9.92 -1.26 -3.78 116.55 127.44 2k2e n ASP 147 Ca 0.15 0.61 0.00 0.00 -0.53 0.00 0.00 54.79 55.03 2k2e n ASP 147 Cb 0.67 -1.18 0.00 0.00 -0.64 0.00 0.00 41.12 39.97 2k2e n ASP 147 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k2e n GLY 148 N 6.11 -0.00 0.39 0.44 0.00 -1.26 -4.96 105.19 105.91 2k2e n GLY 148 Ca 0.39 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.58 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 0.41 0.00 1.61 2.03 -1.65 -2.47 116.42 116.34 2k2e h ASP 149 Ca 0.00 0.03 0.00 0.00 -0.73 0.00 0.00 57.03 56.33 2k2e h ASP 149 Cb 0.00 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 38.45 2k2e h ASP 149 CO 0.00 0.19 0.00 -1.20 -1.03 0.00 0.00 179.24 177.20 2k2e n SER 150 N -4.49 1.52 0.00 4.15 7.64 -1.26 -4.84 113.62 116.33 2k2e n SER 150 Ca 0.17 -1.95 0.00 0.00 1.01 0.00 0.00 58.87 58.10 2k2e n SER 150 Cb 0.60 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 2k2e n SER 150 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2k2e n LEU 151 N 0.15 0.00 -4.74 -3.43 4.77 -0.93 -4.87 117.00 107.95 2k2e n LEU 151 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.57 2k2e n LEU 151 Cb 0.31 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.36 2k2e n LEU 151 CO 0.00 0.00 0.81 -0.70 -1.33 0.00 0.00 177.39 176.17 2k2e s GLU 152 N 0.00 4.58 -0.21 3.23 -6.30 -1.26 -4.94 118.70 113.81 2k2e s GLU 152 Ca 0.00 1.77 0.12 0.00 -2.50 0.00 0.00 54.97 54.36 2k2e s GLU 152 Cb 0.00 -3.25 0.72 0.00 0.00 0.00 0.00 34.13 31.60 2k2e s GLU 152 CO 0.00 0.07 1.59 0.72 0.02 0.00 0.00 175.26 177.67 2k2e n HIS 153 N 2.13 1.82 0.02 5.30 8.25 -1.26 -4.22 115.22 127.26 2k2e n HIS 153 Ca 0.02 -0.63 0.00 0.00 -0.26 0.00 0.00 57.72 56.85 2k2e n HIS 153 Cb 0.46 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2k2e n HIS 153 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k2e n HIS 154 N 0.56 -0.24 -2.98 4.41 8.25 -1.26 -4.96 115.22 118.99 2k2e n HIS 154 Ca 0.24 0.04 -0.31 0.00 -0.26 0.00 0.00 57.72 57.43 2k2e n HIS 154 Cb 1.08 0.30 -0.05 0.00 1.12 0.00 0.00 29.99 32.44 2k2e n HIS 154 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2k2e s HIS 155 N -2.00 3.42 0.04 4.41 3.76 -1.26 -5.07 115.29 118.59 2k2e s HIS 155 Ca 0.00 1.16 0.01 0.00 -0.15 0.00 0.00 55.06 56.08 2k2e s HIS 155 Cb 0.00 -2.51 -0.03 0.00 1.11 0.00 0.00 32.58 31.15 2k2e s HIS 155 CO 0.00 -0.01 -0.05 -1.01 -0.85 0.00 0.00 174.74 172.82 2k2e s HIS 156 N -2.18 0.52 -0.46 1.40 3.76 -1.26 -4.56 115.29 112.51 2k2e s HIS 156 Ca 0.53 -0.70 0.04 0.00 -0.15 0.00 0.00 55.06 54.78 2k2e s HIS 156 Cb -0.10 -0.34 0.12 0.00 1.11 0.00 0.00 32.58 33.37 2k2e s HIS 156 CO 0.24 -0.20 0.19 -1.01 -0.85 0.00 0.00 174.74 173.11 2k2e s HIS 157 N -2.30 3.38 0.00 1.40 3.76 -1.26 -5.07 115.29 115.19 2k2e s HIS 157 Ca -0.05 -3.12 0.00 0.00 -0.15 0.00 0.00 55.06 51.74 2k2e s HIS 157 Cb -0.04 -2.86 0.00 0.00 1.11 0.00 0.00 32.58 30.79 2k2e s HIS 157 CO -0.03 -0.81 0.00 1.58 -0.85 0.00 0.00 174.74 174.63