#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a38 s THR 2 N 0.00 3.90 0.49 3.17 2.01 -1.26 -5.03 115.64 118.92 2a38 s THR 2 Ca 0.00 1.63 -0.22 0.00 0.31 0.00 0.00 61.69 63.41 2a38 s THR 2 Cb 0.00 -4.04 -0.07 0.00 0.01 0.00 0.00 72.50 68.40 2a38 s THR 2 CO 0.00 0.27 1.16 0.42 -0.69 0.00 0.00 174.62 175.78 2a38 s THR 3 N -0.19 3.10 -0.22 -0.82 -4.23 -1.26 -4.66 115.64 107.35 2a38 s THR 3 Ca 0.49 0.77 -0.14 0.00 -1.18 0.00 0.00 61.69 61.64 2a38 s THR 3 Cb -0.29 -3.37 0.07 0.00 1.34 0.00 0.00 72.50 70.25 2a38 s THR 3 CO 0.35 -0.06 0.54 -1.58 -0.54 0.00 0.00 174.62 173.33 2a38 s GLN 4 N -2.91 0.56 0.84 3.99 0.74 0.14 -4.87 119.66 118.15 2a38 s GLN 4 Ca 0.67 0.95 -0.12 0.00 0.05 0.00 0.00 55.36 56.91 2a38 s GLN 4 Cb -0.27 0.10 0.10 0.00 1.10 0.00 0.00 33.01 34.04 2a38 s GLN 4 CO 0.32 -0.14 1.19 0.00 -0.55 0.00 0.00 175.29 176.12 2a38 s ALA 5 N 1.28 1.72 0.46 1.58 0.00 -1.26 -1.22 121.76 124.31 2a38 s ALA 5 Ca -0.08 0.78 -0.25 0.00 0.00 0.00 0.00 51.96 52.42 2a38 s ALA 5 Cb -0.06 -3.49 -0.08 0.00 0.00 0.00 0.00 23.12 19.49 2a38 s ALA 5 CO -0.13 -2.46 1.36 -2.14 0.00 0.00 0.00 175.76 172.40 2a38 s PRO 6 N -4.28 3.67 -0.05 0.00 0.02 -1.26 -4.49 135.00 128.61 2a38 s PRO 6 Ca 0.72 2.27 -0.11 0.00 0.02 0.00 0.00 61.00 63.89 2a38 s PRO 6 Cb -0.27 -2.60 0.02 0.00 0.02 0.00 0.00 34.50 31.67 2a38 s PRO 6 CO 0.53 -0.78 0.26 -0.08 -0.33 0.00 0.00 177.00 176.60 2a38 s THR 7 N -1.26 0.04 -0.40 0.99 -1.32 -0.79 -4.59 115.64 108.30 2a38 s THR 7 Ca 0.62 -0.30 -0.16 0.00 -1.21 0.00 0.00 61.69 60.64 2a38 s THR 7 Cb -0.41 -0.48 0.01 0.00 -1.51 0.00 0.00 72.50 70.12 2a38 s THR 7 CO 0.51 -0.17 0.37 -0.36 -2.21 0.00 0.00 174.62 172.76 2a38 s PHE 8 N -0.67 3.20 -0.59 9.09 0.40 -1.26 0.07 117.98 128.21 2a38 s PHE 8 Ca -0.08 -0.39 0.25 0.00 -0.60 0.00 0.00 56.93 56.12 2a38 s PHE 8 Cb -0.04 -2.73 0.65 0.00 0.51 0.00 0.00 43.02 41.40 2a38 s PHE 8 CO 0.02 -0.61 1.71 1.79 0.70 0.00 0.00 175.22 178.84 2a38 h THR 9 N 5.65 0.00 -2.60 0.64 1.35 -1.26 -3.41 112.91 113.28 2a38 h THR 9 Ca -0.27 -0.67 -0.29 0.00 -0.55 0.00 0.00 66.41 64.62 2a38 h THR 9 Cb 1.12 1.67 -0.35 0.00 -1.73 0.00 0.00 68.15 68.86 2a38 h THR 9 CO 0.75 0.00 -0.61 -1.10 -0.25 0.00 0.00 175.52 174.31 2a38 s GLN 10 N -3.16 0.18 0.83 4.72 -1.52 -1.13 -4.93 119.66 114.64 2a38 s GLN 10 Ca 0.09 0.33 -0.12 0.00 -1.95 0.00 0.00 55.36 53.71 2a38 s GLN 10 Cb 0.09 -0.91 0.10 0.00 -0.22 0.00 0.00 33.01 32.08 2a38 s GLN 10 CO 0.62 -0.56 1.20 -1.25 -0.25 0.00 0.00 175.29 175.04 2a38 s PRO 11 N 2.35 1.71 0.32 2.91 0.04 -1.26 -1.48 135.00 139.58 2a38 s PRO 11 Ca 0.06 -0.02 -0.28 0.00 0.04 0.00 0.00 61.00 60.80 2a38 s PRO 11 Cb -0.15 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 2a38 s PRO 11 CO -0.11 -1.74 1.13 -0.51 0.04 0.00 0.00 177.00 175.81 2a38 s LEU 12 N -5.62 4.44 -0.15 -3.56 1.43 -1.26 -4.73 118.68 109.23 2a38 s LEU 12 Ca 0.64 2.31 -0.02 0.00 -1.03 0.00 0.00 54.13 56.04 2a38 s LEU 12 Cb -0.10 -3.75 -0.02 0.00 0.03 0.00 0.00 46.19 42.35 2a38 s LEU 12 CO 0.50 -0.31 -0.08 -1.10 0.23 0.00 0.00 176.35 175.58 2a38 s GLN 13 N -1.74 3.51 0.58 1.70 -1.52 -1.26 -4.76 119.66 116.16 2a38 s GLN 13 Ca 0.48 -0.61 -0.20 0.00 -1.95 0.00 0.00 55.36 53.08 2a38 s GLN 13 Cb -0.32 -2.79 -0.04 0.00 -0.22 0.00 0.00 33.01 29.65 2a38 s GLN 13 CO 0.41 0.19 1.28 0.43 -0.25 0.00 0.00 175.29 177.35 2a38 n SER 14 N 3.64 2.22 -3.83 5.90 7.64 -1.26 -4.81 113.62 123.11 2a38 n SER 14 Ca -0.18 0.92 -0.12 0.00 1.01 0.00 0.00 58.87 60.49 2a38 n SER 14 Cb 0.52 -1.54 -0.13 0.00 -1.01 0.00 0.00 64.21 62.06 2a38 n SER 14 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2a38 s VAL 15 N -1.34 0.00 -0.34 0.44 0.11 -0.71 -4.95 120.40 113.61 2a38 s VAL 15 Ca 0.75 -0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 59.70 2a38 s VAL 15 Cb -0.41 -0.17 0.01 0.00 -1.53 0.00 0.00 36.38 34.28 2a38 s VAL 15 CO 0.47 -0.00 0.17 -0.69 -3.33 0.00 0.00 175.10 171.72 2a38 s VAL 16 N 0.06 4.54 0.11 2.04 1.01 -1.26 -0.85 120.40 126.05 2a38 s VAL 16 Ca -0.00 -0.64 0.08 0.00 0.00 0.00 0.00 61.98 61.42 2a38 s VAL 16 Cb -0.01 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2a38 s VAL 16 CO 0.00 -0.07 -0.15 0.54 0.00 0.00 0.00 175.10 175.42 2a38 s VAL 17 N 1.58 3.03 -0.05 2.92 0.11 0.88 -4.93 120.40 123.93 2a38 s VAL 17 Ca 0.03 -1.41 -0.26 0.00 -2.93 0.00 0.00 61.98 57.42 2a38 s VAL 17 Cb -0.18 -2.40 -0.03 0.00 -1.53 0.00 0.00 36.38 32.24 2a38 s VAL 17 CO 0.06 0.11 0.80 -0.22 -3.33 0.00 0.00 175.10 172.52 2a38 s LEU 18 N -2.14 4.32 0.24 2.54 2.96 -1.26 0.10 118.68 125.44 2a38 s LEU 18 Ca 0.19 1.34 -0.25 0.00 -0.22 0.00 0.00 54.13 55.18 2a38 s LEU 18 Cb -0.11 -3.25 -0.16 0.00 0.50 0.00 0.00 46.19 43.17 2a38 s LEU 18 CO 0.11 -0.18 0.41 -0.62 -1.32 0.00 0.00 176.35 174.74 2a38 n GLU 19 N 3.94 0.00 0.00 1.98 1.02 0.26 -0.25 120.64 127.59 2a38 n GLU 19 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2a38 n GLU 19 Cb 0.51 -0.96 0.00 0.00 -0.02 0.00 0.00 31.44 30.97 2a38 n GLU 19 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2a38 n GLY 20 N 1.99 2.50 3.89 0.62 0.00 0.17 -4.79 105.19 109.57 2a38 n GLY 20 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 2a38 n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2a38 s SER 21 N -1.42 4.27 0.06 1.61 0.01 0.65 -4.20 113.70 114.68 2a38 s SER 21 Ca 0.00 0.75 -0.20 0.00 1.31 0.00 0.00 55.95 57.81 2a38 s SER 21 Cb 0.00 -1.21 -0.06 0.00 0.21 0.00 0.00 66.02 64.95 2a38 s SER 21 CO 0.00 -2.05 0.59 0.42 0.41 0.00 0.00 173.24 172.61 2a38 s THR 22 N -3.57 4.74 -0.07 1.44 -4.23 -1.17 -1.28 115.64 111.50 2a38 s THR 22 Ca 0.63 1.27 0.03 0.00 -1.18 0.00 0.00 61.69 62.45 2a38 s THR 22 Cb -0.11 -3.93 -0.02 0.00 1.34 0.00 0.00 72.50 69.79 2a38 s THR 22 CO 0.50 0.52 -0.18 0.00 -0.54 0.00 0.00 174.62 174.92 2a38 s ALA 23 N -0.91 2.48 -0.05 3.99 0.00 -0.57 -4.95 121.76 121.74 2a38 s ALA 23 Ca 0.30 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.29 2a38 s ALA 23 Cb -0.20 -0.93 0.02 0.00 0.00 0.00 0.00 23.12 22.02 2a38 s ALA 23 CO 0.19 0.42 -0.04 0.99 0.00 0.00 0.00 175.76 177.33 2a38 s THR 24 N -0.24 0.49 -0.14 0.00 2.01 -1.26 -1.06 115.64 115.44 2a38 s THR 24 Ca 0.00 -0.08 -0.02 0.00 0.31 0.00 0.00 61.69 61.90 2a38 s THR 24 Cb -0.13 -0.54 -0.02 0.00 0.01 0.00 0.00 72.50 71.82 2a38 s THR 24 CO 0.03 0.22 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.76 2a38 s PHE 25 N 1.06 2.96 0.02 4.92 2.99 -0.72 -5.00 117.98 124.20 2a38 s PHE 25 Ca -0.09 -0.35 0.00 0.00 0.00 0.00 0.00 56.93 56.49 2a38 s PHE 25 Cb -0.14 -1.90 -0.02 0.00 0.00 0.00 0.00 43.02 40.96 2a38 s PHE 25 CO -0.01 -0.04 -0.03 -2.00 -0.00 0.00 0.00 175.22 173.14 2a38 s GLU 26 N 0.22 0.30 0.07 0.44 -6.30 -1.26 -1.29 118.70 110.88 2a38 s GLU 26 Ca -0.04 -0.54 -0.16 0.00 -2.50 0.00 0.00 54.97 51.72 2a38 s GLU 26 Cb -0.14 0.04 0.03 0.00 0.00 0.00 0.00 34.13 34.06 2a38 s GLU 26 CO 0.04 -0.03 0.38 0.00 0.02 0.00 0.00 175.26 175.67 2a38 s ALA 27 N -1.24 -0.90 -0.15 6.30 0.00 -0.50 -4.29 121.76 120.98 2a38 s ALA 27 Ca -0.13 0.10 -0.00 0.00 0.00 0.00 0.00 51.96 51.93 2a38 s ALA 27 Cb -0.09 0.46 -0.01 0.00 0.00 0.00 0.00 23.12 23.49 2a38 s ALA 27 CO -0.01 -0.51 -0.14 -1.01 0.00 0.00 0.00 175.76 174.09 2a38 s HIS 28 N -2.99 2.80 -0.06 0.00 3.76 -0.55 -1.11 115.29 117.15 2a38 s HIS 28 Ca -0.02 -0.93 0.06 0.00 -0.15 0.00 0.00 55.06 54.01 2a38 s HIS 28 Cb 0.00 -1.90 -0.01 0.00 1.11 0.00 0.00 32.58 31.78 2a38 s HIS 28 CO -0.06 -0.42 -0.24 0.42 -0.85 0.00 0.00 174.74 173.60 2a38 s ILE 29 N 0.76 2.18 0.35 0.60 1.01 0.07 -0.69 121.20 125.48 2a38 s ILE 29 Ca -0.06 -1.02 0.08 0.00 0.00 0.00 0.00 60.65 59.65 2a38 s ILE 29 Cb -0.15 -1.80 -0.05 0.00 0.01 0.00 0.00 42.46 40.47 2a38 s ILE 29 CO 0.01 0.57 0.08 -0.55 0.00 0.00 0.00 174.94 175.05 2a38 s SER 30 N -0.21 4.37 0.00 3.58 0.15 0.11 -4.67 113.70 117.03 2a38 s SER 30 Ca -0.02 -0.94 0.00 0.00 0.70 0.00 0.00 55.95 55.69 2a38 s SER 30 Cb -0.13 -0.59 0.00 0.00 -1.71 0.00 0.00 66.02 63.59 2a38 s SER 30 CO 0.03 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.78 2a38 n GLY 31 N -1.06 4.00 3.09 9.45 0.00 -1.26 -1.89 105.19 117.52 2a38 n GLY 31 Ca -0.03 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 2a38 n GLY 31 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2a38 s PHE 32 N -2.00 -0.47 1.02 1.61 5.36 -0.36 -3.68 117.98 119.46 2a38 s PHE 32 Ca 0.00 1.04 -0.11 0.00 -0.96 0.00 0.00 56.93 56.90 2a38 s PHE 32 Cb 0.00 0.07 0.21 0.00 -0.34 0.00 0.00 43.02 42.96 2a38 s PHE 32 CO 0.00 -0.34 1.09 -2.14 -1.46 0.00 0.00 175.22 172.37 2a38 s PRO 33 N 2.03 0.18 0.04 10.12 0.02 -1.26 0.24 135.00 146.37 2a38 s PRO 33 Ca -0.03 1.22 -0.34 0.00 0.02 0.00 0.00 61.00 61.86 2a38 s PRO 33 Cb -0.11 -1.65 -0.13 0.00 0.02 0.00 0.00 34.50 32.62 2a38 s PRO 33 CO -0.10 -3.09 1.69 0.28 -0.33 0.00 0.00 177.00 175.45 2a38 n VAL 34 N -4.52 0.24 -1.35 3.83 0.31 -1.24 -4.88 118.33 110.72 2a38 n VAL 34 Ca 0.08 -0.04 -0.32 0.00 -0.01 0.00 0.00 64.34 64.04 2a38 n VAL 34 Cb 0.53 -1.63 0.09 0.00 -0.91 0.00 0.00 33.84 31.92 2a38 n VAL 34 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2a38 s PRO 35 N 2.23 2.24 -0.01 5.55 0.04 -1.26 -4.94 135.00 138.85 2a38 s PRO 35 Ca 0.85 1.34 -0.23 0.00 0.04 0.00 0.00 61.00 63.00 2a38 s PRO 35 Cb -0.71 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 31.90 2a38 s PRO 35 CO 0.45 -1.68 0.70 -1.21 0.04 0.00 0.00 177.00 175.29 2a38 s GLU 36 N -4.53 4.43 0.01 4.56 2.02 0.84 -4.78 118.70 121.24 2a38 s GLU 36 Ca 0.65 0.91 0.04 0.00 0.02 0.00 0.00 54.97 56.58 2a38 s GLU 36 Cb -0.20 -3.39 -0.03 0.00 0.10 0.00 0.00 34.13 30.61 2a38 s GLU 36 CO 0.51 0.22 -0.08 0.08 0.02 0.00 0.00 175.26 176.01 2a38 s VAL 37 N 0.24 3.53 -0.14 2.63 1.01 -1.26 -1.04 120.40 125.37 2a38 s VAL 37 Ca 0.36 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.40 2a38 s VAL 37 Cb -0.19 -2.53 0.04 0.00 0.00 0.00 0.00 36.38 33.70 2a38 s VAL 37 CO 0.20 0.39 0.36 -0.55 0.00 0.00 0.00 175.10 175.49 2a38 s SER 38 N -1.40 -0.38 0.11 3.32 0.15 -0.60 -5.01 113.70 109.89 2a38 s SER 38 Ca 0.17 0.73 0.02 0.00 0.70 0.00 0.00 55.95 57.56 2a38 s SER 38 Cb -0.11 0.71 -0.04 0.00 -1.71 0.00 0.00 66.02 64.88 2a38 s SER 38 CO 0.07 -0.13 0.20 0.26 1.20 0.00 0.00 173.24 174.84 2a38 s TRP 39 N 0.40 3.41 0.06 3.44 0.52 -1.26 -0.84 118.94 124.67 2a38 s TRP 39 Ca -0.02 0.14 -0.03 0.00 0.02 0.00 0.00 56.10 56.22 2a38 s TRP 39 Cb -0.04 -1.67 -0.03 0.00 -1.15 0.00 0.00 33.47 30.58 2a38 s TRP 39 CO -0.02 0.55 0.03 -0.06 0.02 0.00 0.00 176.95 177.47 2a38 s PHE 40 N -1.60 0.39 -0.14 -1.98 0.40 -0.13 -1.88 117.98 113.05 2a38 s PHE 40 Ca 0.33 -0.87 -0.04 0.00 -0.60 0.00 0.00 56.93 55.76 2a38 s PHE 40 Cb -0.12 -0.28 0.05 0.00 0.51 0.00 0.00 43.02 43.18 2a38 s PHE 40 CO 0.27 -0.41 0.07 0.50 0.70 0.00 0.00 175.22 176.35 2a38 s ARG 41 N -3.64 0.17 -1.37 0.44 3.52 0.14 -1.67 118.95 116.54 2a38 s ARG 41 Ca 0.04 -0.01 -0.07 0.00 -0.13 0.00 0.00 55.73 55.56 2a38 s ARG 41 Cb 0.05 -1.50 0.03 0.00 -1.56 0.00 0.00 34.95 31.97 2a38 s ARG 41 CO -0.09 -0.55 1.00 -0.25 -0.81 0.00 0.00 175.30 174.59 2a38 n ASP 42 N 5.24 -4.07 -0.14 -2.12 8.00 -1.02 -2.39 116.55 120.04 2a38 n ASP 42 Ca -0.06 -0.68 -0.02 0.00 0.71 0.00 0.00 54.79 54.74 2a38 n ASP 42 Cb 0.49 -4.53 -0.01 0.00 -0.02 0.00 0.00 41.12 37.06 2a38 n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a38 n GLY 43 N -1.67 0.53 2.91 0.44 0.00 -1.26 -5.04 105.19 101.10 2a38 n GLY 43 Ca -0.10 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 2a38 n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2a38 s GLN 44 N -2.02 0.07 0.30 1.61 -0.21 -1.01 -5.12 119.66 113.28 2a38 s GLN 44 Ca 0.00 0.27 -0.29 0.00 0.02 0.00 0.00 55.36 55.36 2a38 s GLN 44 Cb 0.00 -0.13 -0.13 0.00 1.00 0.00 0.00 33.01 33.75 2a38 s GLN 44 CO 0.00 -0.12 1.30 1.55 -2.12 0.00 0.00 175.29 175.89 2a38 n VAL 45 N 3.88 1.60 -3.60 1.09 3.14 -1.26 0.24 118.33 123.41 2a38 n VAL 45 Ca -0.23 -0.40 -0.36 0.00 -2.96 0.00 0.00 64.34 60.40 2a38 n VAL 45 Cb 0.53 -1.45 -0.06 0.00 -1.06 0.00 0.00 33.84 31.81 2a38 n VAL 45 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2a38 s ILE 46 N -0.70 5.13 0.26 1.55 1.01 -0.79 -4.80 121.20 122.87 2a38 s ILE 46 Ca 0.61 0.48 -0.21 0.00 0.00 0.00 0.00 60.65 61.53 2a38 s ILE 46 Cb -0.62 -3.64 0.04 0.00 0.01 0.00 0.00 42.46 38.26 2a38 s ILE 46 CO 0.57 0.38 0.83 -0.94 0.00 0.00 0.00 174.94 175.79 2a38 s SER 47 N -1.56 -0.15 -1.18 3.58 1.04 -1.26 -4.77 113.70 109.39 2a38 s SER 47 Ca 0.29 -0.68 -0.19 0.00 0.48 0.00 0.00 55.95 55.85 2a38 s SER 47 Cb -0.14 0.67 0.08 0.00 0.10 0.00 0.00 66.02 66.73 2a38 s SER 47 CO 0.16 -1.27 1.57 -0.89 0.98 0.00 0.00 173.24 173.79 2a38 s THR 48 N -3.22 4.22 0.00 2.02 2.01 -1.26 -0.97 115.64 118.43 2a38 s THR 48 Ca 0.13 -1.64 0.00 0.00 0.31 0.00 0.00 61.69 60.49 2a38 s THR 48 Cb -0.04 -5.09 0.00 0.00 0.01 0.00 0.00 72.50 67.38 2a38 s THR 48 CO 0.07 -1.91 0.00 -1.54 -0.69 0.00 0.00 174.62 170.54 2a38 n SER 49 N 8.07 0.00 0.12 3.53 3.41 -1.26 -4.88 113.62 122.61 2a38 n SER 49 Ca 0.41 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.80 2a38 n SER 49 Cb 0.47 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.28 2a38 n SER 49 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2a38 h THR 50 N 0.00 1.31 -2.31 6.66 2.02 -1.73 -3.40 112.91 115.46 2a38 h THR 50 Ca 0.00 -2.63 -0.52 0.00 0.77 0.00 0.00 66.41 64.03 2a38 h THR 50 Cb 0.00 2.85 -0.36 0.00 -1.74 0.00 0.00 68.15 68.90 2a38 h THR 50 CO 0.00 0.79 -0.84 -0.22 0.37 0.00 0.00 175.52 175.62 2a38 s LEU 51 N -7.67 0.79 0.43 2.58 0.20 -0.14 -4.91 118.68 109.96 2a38 s LEU 51 Ca -0.08 -2.34 -0.25 0.00 0.69 0.00 0.00 54.13 52.14 2a38 s LEU 51 Cb 0.05 -0.11 -0.10 0.00 -0.43 0.00 0.00 46.19 45.60 2a38 s LEU 51 CO 0.93 -0.24 1.27 -0.81 -0.29 0.00 0.00 176.35 177.21 2a38 n PRO 52 N 3.63 1.92 0.00 0.98 -0.04 -1.26 -2.21 135.00 138.02 2a38 n PRO 52 Ca 0.18 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.32 2a38 n PRO 52 Cb 0.43 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 2a38 n PRO 52 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2a38 n GLY 53 N 0.81 2.31 3.70 0.55 0.00 -1.26 -4.98 105.19 106.32 2a38 n GLY 53 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 2a38 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a38 s VAL 54 N -2.61 3.19 -0.30 1.61 0.11 -0.94 -4.33 120.40 117.14 2a38 s VAL 54 Ca 0.00 0.73 -0.08 0.00 -2.93 0.00 0.00 61.98 59.70 2a38 s VAL 54 Cb 0.00 -3.47 -0.00 0.00 -1.53 0.00 0.00 36.38 31.38 2a38 s VAL 54 CO 0.00 0.02 0.12 -1.10 -3.33 0.00 0.00 175.10 170.81 2a38 s GLN 55 N 1.97 3.28 -0.09 1.54 -0.21 0.34 -4.72 119.66 121.77 2a38 s GLN 55 Ca 0.69 -0.74 0.02 0.00 0.02 0.00 0.00 55.36 55.34 2a38 s GLN 55 Cb -0.38 -3.48 -0.02 0.00 1.00 0.00 0.00 33.01 30.14 2a38 s GLN 55 CO 0.30 -0.40 -0.15 0.42 -2.12 0.00 0.00 175.29 173.34 2a38 s ILE 56 N 1.57 2.97 0.03 1.08 1.01 -1.26 -0.30 121.20 126.31 2a38 s ILE 56 Ca 0.04 -0.72 -0.08 0.00 0.00 0.00 0.00 60.65 59.89 2a38 s ILE 56 Cb -0.17 -2.20 0.00 0.00 0.01 0.00 0.00 42.46 40.10 2a38 s ILE 56 CO 0.05 0.56 0.17 -0.94 0.00 0.00 0.00 174.94 174.77 2a38 s SER 57 N -0.14 0.06 -0.29 3.58 1.04 0.11 -5.01 113.70 113.05 2a38 s SER 57 Ca -0.01 -0.38 -0.00 0.00 0.48 0.00 0.00 55.95 56.04 2a38 s SER 57 Cb -0.14 0.27 0.14 0.00 0.10 0.00 0.00 66.02 66.39 2a38 s SER 57 CO 0.03 -0.52 0.31 0.12 0.98 0.00 0.00 173.24 174.16 2a38 s PHE 58 N -2.41 -0.50 0.00 5.02 5.36 -1.26 -0.41 117.98 123.79 2a38 s PHE 58 Ca -0.06 -0.17 -0.02 0.00 -0.96 0.00 0.00 56.93 55.71 2a38 s PHE 58 Cb -0.02 -0.44 -0.01 0.00 -0.34 0.00 0.00 43.02 42.22 2a38 s PHE 58 CO -0.03 -0.93 0.04 0.45 -1.46 0.00 0.00 175.22 173.28 2a38 s SER 59 N 2.32 0.08 -1.36 6.13 0.15 -0.43 -4.86 113.70 115.73 2a38 s SER 59 Ca 0.10 -0.19 -0.09 0.00 0.70 0.00 0.00 55.95 56.47 2a38 s SER 59 Cb -0.14 0.12 0.06 0.00 -1.71 0.00 0.00 66.02 64.35 2a38 s SER 59 CO -0.31 -0.20 0.55 0.47 1.20 0.00 0.00 173.24 174.95 2a38 n ASP 60 N 2.17 -4.32 0.00 5.45 8.00 -1.26 0.01 116.55 126.60 2a38 n ASP 60 Ca -0.19 -0.39 0.00 0.00 0.71 0.00 0.00 54.79 54.92 2a38 n ASP 60 Cb 0.57 -3.54 0.00 0.00 -0.02 0.00 0.00 41.12 38.13 2a38 n ASP 60 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a38 n GLY 61 N -1.28 0.35 3.31 0.44 0.00 -1.26 -4.98 105.19 101.76 2a38 n GLY 61 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 2a38 n GLY 61 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2a38 s ARG 62 N -0.68 3.14 -0.16 1.61 3.52 0.10 -0.75 118.95 125.73 2a38 s ARG 62 Ca 0.00 -0.80 -0.08 0.00 -0.13 0.00 0.00 55.73 54.72 2a38 s ARG 62 Cb 0.00 -3.20 -0.04 0.00 -1.56 0.00 0.00 34.95 30.14 2a38 s ARG 62 CO 0.00 -0.36 0.12 0.00 -0.81 0.00 0.00 175.30 174.25 2a38 s ALA 63 N 1.47 3.72 -0.00 6.12 0.00 -0.26 -1.31 121.76 131.48 2a38 s ALA 63 Ca 0.03 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.32 2a38 s ALA 63 Cb -0.16 -2.03 -0.00 0.00 0.00 0.00 0.00 23.12 20.92 2a38 s ALA 63 CO -0.00 0.37 -0.03 0.21 0.00 0.00 0.00 175.76 176.31 2a38 s LYS 64 N -0.25 0.24 -0.17 0.00 2.20 0.45 -1.41 119.74 120.80 2a38 s LYS 64 Ca 0.11 -0.10 -0.00 0.00 -0.36 0.00 0.00 55.97 55.62 2a38 s LYS 64 Cb -0.12 -0.24 0.04 0.00 -1.51 0.00 0.00 37.83 36.01 2a38 s LYS 64 CO 0.01 0.05 -0.06 -1.17 -0.36 0.00 0.00 175.35 173.83 2a38 s LEU 65 N -0.02 1.64 -0.09 5.43 0.20 -0.41 -0.71 118.68 124.72 2a38 s LEU 65 Ca 0.01 -0.67 0.04 0.00 0.69 0.00 0.00 54.13 54.20 2a38 s LEU 65 Cb -0.02 -0.93 -0.01 0.00 -0.43 0.00 0.00 46.19 44.81 2a38 s LEU 65 CO -0.00 -0.18 -0.23 -0.89 -0.29 0.00 0.00 176.35 174.76 2a38 s THR 66 N 1.62 2.19 -0.32 3.68 2.01 0.59 -1.75 115.64 123.66 2a38 s THR 66 Ca 0.01 -0.99 -0.06 0.00 0.31 0.00 0.00 61.69 60.96 2a38 s THR 66 Cb -0.15 -1.83 0.03 0.00 0.01 0.00 0.00 72.50 70.56 2a38 s THR 66 CO -0.08 0.56 0.08 -0.63 -0.69 0.00 0.00 174.62 173.86 2a38 s ILE 67 N 0.18 3.69 0.00 1.82 1.01 -0.22 -0.51 121.20 127.17 2a38 s ILE 67 Ca -0.13 -1.05 0.00 0.00 0.00 0.00 0.00 60.65 59.47 2a38 s ILE 67 Cb -0.16 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.27 2a38 s ILE 67 CO 0.07 -0.09 0.77 -2.65 0.00 0.00 0.00 174.94 173.04 2a38 n PRO 68 N 4.80 0.00 -3.51 2.79 -0.02 -1.26 -1.52 135.00 136.28 2a38 n PRO 68 Ca -0.13 0.50 -0.42 0.00 -2.02 0.00 0.00 63.50 61.43 2a38 n PRO 68 Cb 0.45 -1.27 -0.08 0.00 -0.02 0.00 0.00 33.50 32.58 2a38 n PRO 68 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2a38 s ALA 69 N -2.99 3.42 0.25 3.55 0.00 -1.26 -3.03 121.76 121.70 2a38 s ALA 69 Ca 0.00 -2.36 -0.30 0.00 0.00 0.00 0.00 51.96 49.31 2a38 s ALA 69 Cb 0.00 -2.87 -0.09 0.00 0.00 0.00 0.00 23.12 20.16 2a38 s ALA 69 CO 0.00 -1.82 1.18 0.08 0.00 0.00 0.00 175.76 175.20 2a38 s VAL 70 N 1.46 3.36 0.28 0.00 1.01 -0.40 -4.77 120.40 121.32 2a38 s VAL 70 Ca 0.04 1.27 0.11 0.00 0.00 0.00 0.00 61.98 63.40 2a38 s VAL 70 Cb -0.26 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 2a38 s VAL 70 CO 0.02 0.26 -0.12 0.42 0.00 0.00 0.00 175.10 175.68 2a38 s THR 71 N -0.70 2.86 0.53 3.92 -4.23 -1.26 0.41 115.64 117.18 2a38 s THR 71 Ca 0.49 -2.21 0.39 0.00 -1.18 0.00 0.00 61.69 59.18 2a38 s THR 71 Cb -0.34 -2.52 0.41 0.00 1.34 0.00 0.00 72.50 71.39 2a38 s THR 71 CO 0.42 -0.39 2.26 0.11 -0.54 0.00 0.00 174.62 176.48 2a38 h LYS 72 N 2.11 0.00 0.00 3.99 1.57 -1.96 -1.10 116.57 121.18 2a38 h LYS 72 Ca -0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 2a38 h LYS 72 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 2a38 h LYS 72 CO 0.60 0.01 0.00 0.00 -0.57 0.00 0.00 179.45 179.50 2a38 n ALA 73 N -2.13 2.59 0.29 3.86 0.00 -1.26 -3.41 120.51 120.44 2a38 n ALA 73 Ca -0.02 -0.18 0.11 0.00 0.00 0.00 0.00 53.44 53.34 2a38 n ALA 73 Cb 0.13 -1.49 -0.14 0.00 0.00 0.00 0.00 19.45 17.95 2a38 n ALA 73 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2a38 n ASN 74 N -1.04 0.32 -4.43 0.00 5.03 -0.42 -4.99 115.26 109.74 2a38 n ASN 74 Ca 0.21 -0.27 -0.28 0.00 0.87 0.00 0.00 54.58 55.11 2a38 n ASN 74 Cb 0.12 1.63 0.26 0.00 -1.02 0.00 0.00 39.78 40.77 2a38 n ASN 74 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 2a38 n SER 75 N -2.06 -2.00 0.00 6.41 3.41 -1.22 -4.90 113.62 113.26 2a38 n SER 75 Ca -0.01 -0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 2a38 n SER 75 Cb 0.50 -1.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 2a38 n SER 75 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2a38 n GLY 76 N 1.16 0.59 3.70 5.00 0.00 -0.12 -4.92 105.19 110.61 2a38 n GLY 76 Ca 0.02 -2.15 -0.38 0.00 0.00 0.00 0.00 46.02 43.51 2a38 n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2a38 s ARG 77 N -0.74 4.27 -0.06 1.61 0.52 -1.26 -0.04 118.95 123.24 2a38 s ARG 77 Ca 0.00 0.36 0.05 0.00 -0.52 0.00 0.00 55.73 55.62 2a38 s ARG 77 Cb 0.00 -3.48 -0.01 0.00 0.52 0.00 0.00 34.95 31.97 2a38 s ARG 77 CO 0.00 0.06 -0.22 0.71 0.02 0.00 0.00 175.30 175.87 2a38 s TYR 78 N 0.98 2.52 0.09 -0.53 1.51 -0.07 -2.44 117.35 119.41 2a38 s TYR 78 Ca 0.23 -0.58 0.03 0.00 -1.01 0.00 0.00 57.07 55.74 2a38 s TYR 78 Cb -0.15 -1.62 -0.04 0.00 -0.11 0.00 0.00 41.96 40.04 2a38 s TYR 78 CO 0.09 -0.12 -0.09 -1.54 -1.11 0.00 0.00 175.55 172.78 2a38 s SER 79 N -0.25 1.29 -0.13 2.29 1.04 -0.67 -0.93 113.70 116.34 2a38 s SER 79 Ca -0.00 -0.82 0.02 0.00 0.48 0.00 0.00 55.95 55.62 2a38 s SER 79 Cb -0.13 0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.04 2a38 s SER 79 CO 0.03 -0.30 -0.18 -0.22 0.98 0.00 0.00 173.24 173.55 2a38 s LEU 80 N -2.46 1.87 -0.12 2.42 2.96 0.43 -0.96 118.68 122.82 2a38 s LEU 80 Ca 0.05 -0.51 -0.03 0.00 -0.22 0.00 0.00 54.13 53.42 2a38 s LEU 80 Cb -0.02 -1.25 -0.03 0.00 0.50 0.00 0.00 46.19 45.39 2a38 s LEU 80 CO -0.01 0.02 -0.01 -0.54 -1.32 0.00 0.00 176.35 174.49 2a38 s LYS 81 N 1.04 3.31 -0.06 1.98 1.02 -0.02 -1.25 119.74 125.77 2a38 s LYS 81 Ca -0.04 -0.45 0.05 0.00 0.02 0.00 0.00 55.97 55.55 2a38 s LYS 81 Cb -0.15 -2.87 -0.00 0.00 -0.52 0.00 0.00 37.83 34.29 2a38 s LYS 81 CO -0.04 0.50 -0.22 0.00 -0.92 0.00 0.00 175.35 174.67 2a38 s ALA 82 N -0.32 1.92 -0.02 5.17 0.00 0.61 -1.56 121.76 127.57 2a38 s ALA 82 Ca 0.06 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.11 2a38 s ALA 82 Cb -0.12 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.36 2a38 s ALA 82 CO 0.02 0.33 0.05 0.99 0.00 0.00 0.00 175.76 177.16 2a38 s THR 83 N 0.05 0.02 0.21 0.00 2.01 -0.21 -0.66 115.64 117.05 2a38 s THR 83 Ca -0.07 -0.13 -0.03 0.00 0.31 0.00 0.00 61.69 61.77 2a38 s THR 83 Cb -0.14 -0.13 0.01 0.00 0.01 0.00 0.00 72.50 72.25 2a38 s THR 83 CO 0.04 -0.07 0.32 -0.46 -0.69 0.00 0.00 174.62 173.76 2a38 n ASN 84 N 2.81 -0.91 0.21 3.53 0.23 -0.75 -0.11 115.26 120.27 2a38 n ASN 84 Ca -0.14 -2.08 0.11 0.00 -0.53 0.00 0.00 54.58 51.94 2a38 n ASN 84 Cb 0.59 1.65 0.65 0.00 -2.08 0.00 0.00 39.78 40.59 2a38 n ASN 84 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2a38 h GLY 85 N 1.16 0.00 1.66 4.83 0.00 -1.91 -2.76 103.07 106.05 2a38 h GLY 85 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2a38 h GLY 85 CO 0.22 0.00 -0.23 1.44 0.00 0.00 0.00 176.54 177.97 2a38 n SER 86 N -4.50 0.65 0.00 0.19 7.64 -1.26 -5.03 113.62 111.30 2a38 n SER 86 Ca -0.00 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.24 2a38 n SER 86 Cb 0.20 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 2a38 n SER 86 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a38 n GLY 87 N 1.36 -1.70 2.96 0.23 0.00 -1.04 -4.63 105.19 102.37 2a38 n GLY 87 Ca 0.05 -1.30 -0.14 0.00 0.00 0.00 0.00 46.02 44.63 2a38 n GLY 87 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2a38 s GLN 88 N -1.98 0.37 0.09 1.61 0.74 -1.26 -1.81 119.66 117.42 2a38 s GLN 88 Ca 0.00 -0.29 0.06 0.00 0.05 0.00 0.00 55.36 55.18 2a38 s GLN 88 Cb 0.00 -0.29 -0.03 0.00 1.10 0.00 0.00 33.01 33.79 2a38 s GLN 88 CO 0.00 0.07 -0.16 0.00 -0.55 0.00 0.00 175.29 174.66 2a38 s ALA 89 N -0.42 1.42 0.02 1.58 0.00 0.16 -4.89 121.76 119.62 2a38 s ALA 89 Ca -0.02 -1.14 0.01 0.00 0.00 0.00 0.00 51.96 50.81 2a38 s ALA 89 Cb -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 2a38 s ALA 89 CO -0.00 0.19 -0.04 0.99 0.00 0.00 0.00 175.76 176.90 2a38 s THR 90 N -1.50 0.26 -0.05 0.00 2.01 -1.26 -0.28 115.64 114.83 2a38 s THR 90 Ca 0.03 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.47 2a38 s THR 90 Cb -0.09 -0.31 0.02 0.00 0.01 0.00 0.00 72.50 72.14 2a38 s THR 90 CO 0.03 -0.20 -0.03 -0.55 -0.69 0.00 0.00 174.62 173.18 2a38 s SER 91 N -0.82 0.94 -0.02 3.53 0.15 -0.38 -4.98 113.70 112.12 2a38 s SER 91 Ca -0.06 -0.10 0.05 0.00 0.70 0.00 0.00 55.95 56.54 2a38 s SER 91 Cb -0.06 -0.40 -0.01 0.00 -1.71 0.00 0.00 66.02 63.84 2a38 s SER 91 CO -0.00 -0.08 -0.18 -0.89 1.20 0.00 0.00 173.24 173.29 2a38 s THR 92 N 1.09 1.42 0.18 6.45 2.01 -1.26 -0.43 115.64 125.10 2a38 s THR 92 Ca -0.09 -0.76 -0.01 0.00 0.31 0.00 0.00 61.69 61.15 2a38 s THR 92 Cb -0.14 -1.19 -0.04 0.00 0.01 0.00 0.00 72.50 71.14 2a38 s THR 92 CO -0.01 0.40 0.09 0.00 -0.69 0.00 0.00 174.62 174.41 2a38 s ALA 93 N -0.33 1.11 -0.02 7.40 0.00 -0.11 -4.87 121.76 124.94 2a38 s ALA 93 Ca 0.05 -1.62 0.06 0.00 0.00 0.00 0.00 51.96 50.44 2a38 s ALA 93 Cb -0.08 1.11 -0.03 0.00 0.00 0.00 0.00 23.12 24.12 2a38 s ALA 93 CO -0.00 -0.52 -0.18 -2.00 0.00 0.00 0.00 175.76 173.06 2a38 s GLU 94 N -4.09 2.29 -0.25 0.00 2.12 -1.26 -0.89 118.70 116.62 2a38 s GLU 94 Ca 0.32 -0.83 -0.06 0.00 0.36 0.00 0.00 54.97 54.76 2a38 s GLU 94 Cb 0.07 -2.25 -0.02 0.00 0.26 0.00 0.00 34.13 32.19 2a38 s GLU 94 CO 0.08 0.59 0.04 -1.17 -0.54 0.00 0.00 175.26 174.26 2a38 s LEU 95 N -0.91 3.35 -0.22 2.70 2.96 0.94 -1.73 118.68 125.76 2a38 s LEU 95 Ca 0.12 -0.31 -0.04 0.00 -0.22 0.00 0.00 54.13 53.69 2a38 s LEU 95 Cb -0.10 -1.87 -0.01 0.00 0.50 0.00 0.00 46.19 44.70 2a38 s LEU 95 CO 0.02 -0.05 -0.05 -0.22 -1.32 0.00 0.00 176.35 174.73 2a38 s LEU 96 N 1.57 2.88 -0.26 -0.68 2.96 -0.03 -0.94 118.68 124.18 2a38 s LEU 96 Ca 0.06 -0.41 -0.12 0.00 -0.22 0.00 0.00 54.13 53.44 2a38 s LEU 96 Cb -0.15 -1.73 -0.05 0.00 0.50 0.00 0.00 46.19 44.76 2a38 s LEU 96 CO 0.02 -0.02 0.22 -0.69 -1.32 0.00 0.00 176.35 174.56 2a38 s VAL 97 N 1.47 5.30 -0.14 1.68 1.01 -1.26 -0.08 120.40 128.38 2a38 s VAL 97 Ca 0.06 0.28 -0.20 0.00 0.00 0.00 0.00 61.98 62.12 2a38 s VAL 97 Cb -0.14 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 2a38 s VAL 97 CO -0.04 0.27 0.56 -0.75 0.00 0.00 0.00 175.10 175.15 2a38 s LYS 98 N 1.49 4.30 0.27 2.72 2.47 0.29 -4.88 119.74 126.40 2a38 s LYS 98 Ca 0.09 0.56 -0.30 0.00 -1.56 0.00 0.00 55.97 54.76 2a38 s LYS 98 Cb -0.15 -3.49 -0.13 0.00 -1.46 0.00 0.00 37.83 32.60 2a38 s LYS 98 CO 0.08 -0.00 1.48 0.00 0.16 0.00 0.00 175.35 177.07 2a38 n ALA 99 N 4.19 1.74 -2.61 3.13 0.00 -1.26 -0.57 120.51 125.12 2a38 n ALA 99 Ca -0.04 0.39 -0.36 0.00 0.00 0.00 0.00 53.44 53.43 2a38 n ALA 99 Cb 0.51 -2.35 -0.06 0.00 0.00 0.00 0.00 19.45 17.55 2a38 n ALA 99 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2a38 s GLU 100 N -0.55 3.76 0.04 0.00 2.12 -1.26 -4.79 118.70 118.01 2a38 s GLU 100 Ca 0.65 0.20 -0.05 0.00 0.36 0.00 0.00 54.97 56.13 2a38 s GLU 100 Cb -0.58 -3.12 -0.01 0.00 0.26 0.00 0.00 34.13 30.68 2a38 s GLU 100 CO 0.50 0.65 0.08 0.95 -0.54 0.00 0.00 175.26 176.90 2a38 s THR 101 N -1.22 0.14 -0.21 -1.70 -4.23 -1.26 -4.74 115.64 102.42 2a38 s THR 101 Ca 0.26 -1.15 -0.14 0.00 -1.18 0.00 0.00 61.69 59.48 2a38 s THR 101 Cb -0.15 -0.94 0.06 0.00 1.34 0.00 0.00 72.50 72.82 2a38 s THR 101 CO 0.14 -0.64 0.52 0.00 -0.54 0.00 0.00 174.62 174.11 2a38 s ALA 102 N -2.72 -1.35 0.86 3.99 0.00 -0.06 -4.89 121.76 117.60 2a38 s ALA 102 Ca -0.04 1.74 -0.11 0.00 0.00 0.00 0.00 51.96 53.55 2a38 s ALA 102 Cb -0.01 -1.03 0.11 0.00 0.00 0.00 0.00 23.12 22.19 2a38 s ALA 102 CO -0.05 -0.29 1.09 -1.25 0.00 0.00 0.00 175.76 175.26 2a38 s PRO 103 N 1.07 1.52 0.35 0.00 0.04 -1.26 -1.55 135.00 135.17 2a38 s PRO 103 Ca -0.06 0.95 -0.29 0.00 0.04 0.00 0.00 61.00 61.64 2a38 s PRO 103 Cb -0.06 -1.83 -0.11 0.00 0.04 0.00 0.00 34.50 32.54 2a38 s PRO 103 CO -0.10 -2.09 1.50 -2.14 0.04 0.00 0.00 177.00 174.21 2a38 s PRO 104 N -4.91 4.14 -0.02 0.56 0.02 -1.26 -4.46 135.00 129.07 2a38 s PRO 104 Ca 0.63 2.53 0.01 0.00 0.02 0.00 0.00 61.00 64.19 2a38 s PRO 104 Cb -0.18 -3.00 0.01 0.00 0.02 0.00 0.00 34.50 31.36 2a38 s PRO 104 CO 0.57 -0.53 -0.03 1.21 -0.33 0.00 0.00 177.00 177.89 2a38 s ASN 105 N 0.01 0.64 -0.59 2.53 2.47 -0.13 -4.59 114.94 115.28 2a38 s ASN 105 Ca 0.55 -0.08 -0.21 0.00 0.42 0.00 0.00 52.86 53.54 2a38 s ASN 105 Cb -0.46 -0.23 0.07 0.00 -1.45 0.00 0.00 41.25 39.19 2a38 s ASN 105 CO 0.58 -0.02 0.79 -0.36 -3.72 0.00 0.00 177.10 174.37 2a38 s PHE 106 N 0.51 2.88 0.10 0.43 0.40 -1.26 -1.53 117.98 119.51 2a38 s PHE 106 Ca -0.06 -0.61 -0.14 0.00 -0.60 0.00 0.00 56.93 55.52 2a38 s PHE 106 Cb -0.09 -3.99 -0.09 0.00 0.51 0.00 0.00 43.02 39.36 2a38 s PHE 106 CO -0.00 -1.35 1.40 0.28 0.70 0.00 0.00 175.22 176.25 2a38 h VAL 107 N 5.94 1.30 -3.11 -0.44 2.07 -1.33 -3.40 116.25 117.28 2a38 h VAL 107 Ca -0.28 -1.54 -0.63 0.00 0.82 0.00 0.00 66.70 65.06 2a38 h VAL 107 Cb 1.08 1.64 -0.36 0.00 -1.52 0.00 0.00 31.29 32.13 2a38 h VAL 107 CO 1.09 0.49 -0.84 -1.58 0.02 0.00 0.00 177.57 176.75 2a38 s GLN 108 N -4.26 2.60 0.42 1.57 0.74 -1.12 -4.94 119.66 114.67 2a38 s GLN 108 Ca -0.12 -0.69 0.04 0.00 0.05 0.00 0.00 55.36 54.64 2a38 s GLN 108 Cb 0.09 -2.33 0.00 0.00 1.10 0.00 0.00 33.01 31.87 2a38 s GLN 108 CO 0.84 -0.23 0.59 1.03 -0.55 0.00 0.00 175.29 176.97 2a38 s ARG 109 N 1.39 2.96 0.50 1.67 0.52 -1.26 -1.28 118.95 123.44 2a38 s ARG 109 Ca 0.05 -0.88 -0.21 0.00 -0.52 0.00 0.00 55.73 54.16 2a38 s ARG 109 Cb -0.13 -2.69 -0.07 0.00 0.52 0.00 0.00 34.95 32.58 2a38 s ARG 109 CO -0.12 -0.21 1.14 -0.51 0.02 0.00 0.00 175.30 175.62 2a38 s LEU 110 N -4.40 3.89 -0.03 2.53 1.43 -1.26 -4.74 118.68 116.11 2a38 s LEU 110 Ca 0.50 2.23 0.05 0.00 -1.03 0.00 0.00 54.13 55.88 2a38 s LEU 110 Cb -0.10 -4.40 -0.01 0.00 0.03 0.00 0.00 46.19 41.71 2a38 s LEU 110 CO 0.34 -1.04 -0.18 -1.10 0.23 0.00 0.00 176.35 174.61 2a38 s GLN 111 N -2.97 1.61 0.55 1.70 -0.21 -1.26 -4.78 119.66 114.30 2a38 s GLN 111 Ca 0.68 -0.62 -0.20 0.00 0.02 0.00 0.00 55.36 55.23 2a38 s GLN 111 Cb -0.26 -1.48 -0.05 0.00 1.00 0.00 0.00 33.01 32.23 2a38 s GLN 111 CO 0.31 0.32 1.21 -1.12 -2.12 0.00 0.00 175.29 173.89 2a38 s SER 112 N -0.20 5.49 -0.07 5.90 0.01 -1.26 -4.75 113.70 118.82 2a38 s SER 112 Ca 0.02 2.41 -0.20 0.00 1.31 0.00 0.00 55.95 59.48 2a38 s SER 112 Cb -0.09 -2.60 0.04 0.00 0.21 0.00 0.00 66.02 63.58 2a38 s SER 112 CO 0.01 -1.39 0.47 0.00 0.41 0.00 0.00 173.24 172.74 2a38 s MET 113 N -3.11 0.76 -0.15 12.44 0.23 -0.46 -4.94 119.30 124.07 2a38 s MET 113 Ca 0.73 0.19 0.02 0.00 -1.03 0.00 0.00 55.69 55.59 2a38 s MET 113 Cb -0.31 0.35 0.01 0.00 -1.53 0.00 0.00 34.83 33.36 2a38 s MET 113 CO 0.35 -0.19 -0.21 0.99 -2.03 0.00 0.00 175.02 173.93 2a38 s THR 114 N -0.83 2.00 0.15 3.16 2.01 -1.26 -1.15 115.64 119.71 2a38 s THR 114 Ca -0.09 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 61.00 2a38 s THR 114 Cb -0.03 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 2a38 s THR 114 CO 0.05 0.54 -0.02 0.68 -0.69 0.00 0.00 174.62 175.17 2a38 s VAL 115 N 1.02 0.66 0.41 3.82 -7.23 -0.29 -4.99 120.40 113.79 2a38 s VAL 115 Ca -0.02 -1.96 -0.09 0.00 -1.81 0.00 0.00 61.98 58.09 2a38 s VAL 115 Cb -0.15 -1.97 -0.06 0.00 0.56 0.00 0.00 36.38 34.77 2a38 s VAL 115 CO -0.06 -0.61 0.76 -0.13 -0.31 0.00 0.00 175.10 174.75 2a38 s ARG 116 N -3.89 3.73 0.16 4.82 0.52 -1.26 -1.66 118.95 121.37 2a38 s ARG 116 Ca 0.20 0.40 -0.33 0.00 -0.52 0.00 0.00 55.73 55.47 2a38 s ARG 116 Cb 0.06 -2.41 -0.16 0.00 0.52 0.00 0.00 34.95 32.96 2a38 s ARG 116 CO 0.01 -0.04 1.12 0.94 0.02 0.00 0.00 175.30 177.34 2a38 n GLN 117 N -1.42 1.01 -0.36 3.54 7.27 -0.05 -2.08 117.38 125.30 2a38 n GLN 117 Ca 0.02 0.36 0.00 0.00 0.07 0.00 0.00 57.00 57.45 2a38 n GLN 117 Cb 0.54 -1.83 0.00 0.00 2.41 0.00 0.00 30.24 31.36 2a38 n GLN 117 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2a38 n GLY 118 N 1.97 1.10 3.78 1.69 0.00 0.39 -4.98 105.19 109.15 2a38 n GLY 118 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 2a38 n GLY 118 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2a38 s SER 119 N -3.04 6.39 -0.09 1.61 0.01 -0.88 -4.40 113.70 113.29 2a38 s SER 119 Ca 0.00 2.10 -0.25 0.00 1.31 0.00 0.00 55.95 59.11 2a38 s SER 119 Cb 0.00 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.62 2a38 s SER 119 CO 0.00 -0.75 0.78 -1.58 0.41 0.00 0.00 173.24 172.10 2a38 s GLN 120 N -2.81 4.40 -0.01 12.44 0.74 -1.25 -0.66 119.66 132.52 2a38 s GLN 120 Ca 0.63 0.99 0.06 0.00 0.05 0.00 0.00 55.36 57.09 2a38 s GLN 120 Cb -0.23 -3.49 -0.02 0.00 1.10 0.00 0.00 33.01 30.38 2a38 s GLN 120 CO 0.27 -0.08 -0.19 0.08 -0.55 0.00 0.00 175.29 174.82 2a38 s VAL 121 N 1.29 1.52 -0.07 1.34 1.01 0.11 -5.00 120.40 120.60 2a38 s VAL 121 Ca 0.39 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.52 2a38 s VAL 121 Cb -0.18 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 34.95 2a38 s VAL 121 CO 0.18 0.40 -0.05 -0.60 0.00 0.00 0.00 175.10 175.03 2a38 s ARG 122 N -0.52 1.07 -0.21 2.72 3.52 -1.26 0.45 118.95 124.72 2a38 s ARG 122 Ca 0.07 -0.12 -0.04 0.00 -0.13 0.00 0.00 55.73 55.51 2a38 s ARG 122 Cb -0.08 -1.16 -0.01 0.00 -1.56 0.00 0.00 34.95 32.14 2a38 s ARG 122 CO -0.00 -0.19 -0.04 -0.51 -0.81 0.00 0.00 175.30 173.74 2a38 s LEU 123 N 1.43 2.93 0.21 -0.88 1.43 0.08 -4.96 118.68 118.91 2a38 s LEU 123 Ca -0.02 -0.36 0.10 0.00 -1.03 0.00 0.00 54.13 52.81 2a38 s LEU 123 Cb -0.13 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 2a38 s LEU 123 CO -0.03 0.00 -0.19 -1.10 0.23 0.00 0.00 176.35 175.25 2a38 s GLN 124 N 1.35 1.44 0.01 1.70 -0.21 -1.26 -0.37 119.66 122.32 2a38 s GLN 124 Ca 0.04 -1.55 -0.08 0.00 0.02 0.00 0.00 55.36 53.79 2a38 s GLN 124 Cb -0.14 -1.53 0.00 0.00 1.00 0.00 0.00 33.01 32.34 2a38 s GLN 124 CO -0.02 0.30 0.15 0.14 -2.12 0.00 0.00 175.29 173.74 2a38 s VAL 125 N -2.21 0.09 -0.13 1.09 -7.23 -0.48 -4.02 120.40 107.51 2a38 s VAL 125 Ca 0.21 -0.77 0.00 0.00 -1.81 0.00 0.00 61.98 59.62 2a38 s VAL 125 Cb -0.05 -0.59 0.02 0.00 0.56 0.00 0.00 36.38 36.32 2a38 s VAL 125 CO 0.09 -0.42 -0.13 -0.60 -0.31 0.00 0.00 175.10 173.74 2a38 s ARG 126 N -1.75 2.08 -0.02 4.82 3.52 -0.41 -1.02 118.95 126.18 2a38 s ARG 126 Ca -0.12 -0.48 0.07 0.00 -0.13 0.00 0.00 55.73 55.08 2a38 s ARG 126 Cb -0.05 -1.93 -0.02 0.00 -1.56 0.00 0.00 34.95 31.38 2a38 s ARG 126 CO 0.00 -0.22 -0.24 0.08 -0.81 0.00 0.00 175.30 174.11 2a38 s VAL 127 N 1.47 1.93 0.29 7.11 1.01 -0.23 -0.76 120.40 131.22 2a38 s VAL 127 Ca 0.03 -1.04 0.06 0.00 0.00 0.00 0.00 61.98 61.04 2a38 s VAL 127 Cb -0.13 -1.60 -0.06 0.00 0.00 0.00 0.00 36.38 34.59 2a38 s VAL 127 CO -0.09 0.54 -0.04 0.42 0.00 0.00 0.00 175.10 175.93 2a38 s THR 128 N -0.51 1.64 0.00 3.92 -4.23 -0.58 -4.67 115.64 111.22 2a38 s THR 128 Ca 0.07 -2.11 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 2a38 s THR 128 Cb -0.10 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.21 2a38 s THR 128 CO -0.00 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 2a38 n GLY 129 N -0.63 3.58 2.71 3.99 0.00 -1.26 -0.95 105.19 112.64 2a38 n GLY 129 Ca -0.05 -0.90 -0.23 0.00 0.00 0.00 0.00 46.02 44.84 2a38 n GLY 129 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a38 s ILE 130 N -2.00 0.18 1.08 -0.61 1.01 -0.59 -3.34 121.20 116.92 2a38 s ILE 130 Ca 0.00 0.09 -0.12 0.00 0.00 0.00 0.00 60.65 60.62 2a38 s ILE 130 Cb 0.00 -0.48 0.24 0.00 0.01 0.00 0.00 42.46 42.23 2a38 s ILE 130 CO 0.00 0.10 1.07 -2.84 0.00 0.00 0.00 174.94 173.27 2a38 s PRO 131 N 2.04 -0.28 0.20 2.79 0.02 -1.26 -0.89 135.00 137.63 2a38 s PRO 131 Ca 0.04 1.12 -0.32 0.00 0.02 0.00 0.00 61.00 61.85 2a38 s PRO 131 Cb -0.13 -1.61 -0.13 0.00 0.02 0.00 0.00 34.50 32.65 2a38 s PRO 131 CO -0.05 -3.38 1.58 2.41 -0.33 0.00 0.00 177.00 177.23 2a38 n THR 132 N -4.71 0.30 -1.97 0.99 -1.04 -1.21 -4.84 114.28 101.81 2a38 n THR 132 Ca 0.06 -0.08 -0.33 0.00 -2.04 0.00 0.00 64.05 61.67 2a38 n THR 132 Cb 0.53 -1.68 0.02 0.00 -1.82 0.00 0.00 70.33 67.39 2a38 n THR 132 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2a38 s PRO 133 N 0.55 3.15 -0.22 -2.82 0.02 -1.26 -4.84 135.00 129.58 2a38 s PRO 133 Ca 0.74 1.29 -0.12 0.00 0.02 0.00 0.00 61.00 62.93 2a38 s PRO 133 Cb -0.61 -2.00 -0.05 0.00 0.02 0.00 0.00 34.50 31.86 2a38 s PRO 133 CO 0.40 -0.96 0.24 0.08 -0.33 0.00 0.00 177.00 176.43 2a38 s VAL 134 N -2.37 5.31 -0.11 3.83 1.01 -0.01 -4.87 120.40 123.19 2a38 s VAL 134 Ca 0.65 0.36 0.01 0.00 0.00 0.00 0.00 61.98 63.01 2a38 s VAL 134 Cb -0.18 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 2a38 s VAL 134 CO 0.38 0.33 -0.15 -0.69 0.00 0.00 0.00 175.10 174.96 2a38 s VAL 135 N 1.05 2.88 0.03 2.92 1.01 -1.26 -1.71 120.40 125.31 2a38 s VAL 135 Ca 0.12 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.39 2a38 s VAL 135 Cb -0.14 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 2a38 s VAL 135 CO 0.05 0.54 -0.10 -0.54 0.00 0.00 0.00 175.10 175.06 2a38 s LYS 136 N 0.16 0.67 -0.05 2.72 1.02 -0.46 -4.99 119.74 118.81 2a38 s LYS 136 Ca -0.08 -0.58 -0.01 0.00 0.02 0.00 0.00 55.97 55.31 2a38 s LYS 136 Cb -0.15 -0.59 -0.04 0.00 -0.52 0.00 0.00 37.83 36.53 2a38 s LYS 136 CO 0.05 0.14 0.04 -0.06 -0.92 0.00 0.00 175.35 174.60 2a38 s PHE 137 N -0.77 3.22 0.06 3.18 0.40 -1.26 -0.89 117.98 121.92 2a38 s PHE 137 Ca -0.02 0.21 0.04 0.00 -0.60 0.00 0.00 56.93 56.57 2a38 s PHE 137 Cb -0.07 -1.77 -0.03 0.00 0.51 0.00 0.00 43.02 41.67 2a38 s PHE 137 CO 0.00 0.52 -0.13 0.71 0.70 0.00 0.00 175.22 177.03 2a38 s TYR 138 N -1.02 1.08 -0.20 0.36 2.02 0.12 -1.95 117.35 117.76 2a38 s TYR 138 Ca 0.17 -0.46 0.01 0.00 -0.37 0.00 0.00 57.07 56.42 2a38 s TYR 138 Cb -0.12 -0.61 0.04 0.00 -0.40 0.00 0.00 41.96 40.87 2a38 s TYR 138 CO 0.07 0.02 -0.11 0.50 -1.57 0.00 0.00 175.55 174.46 2a38 s ARG 139 N -1.67 2.08 -1.58 -0.62 3.52 -0.29 -0.76 118.95 119.63 2a38 s ARG 139 Ca -0.04 -0.85 -0.14 0.00 -0.13 0.00 0.00 55.73 54.57 2a38 s ARG 139 Cb -0.10 -2.43 0.11 0.00 -1.56 0.00 0.00 34.95 30.97 2a38 s ARG 139 CO 0.02 -0.42 0.86 -0.25 -0.81 0.00 0.00 175.30 174.70 2a38 n ASP 140 N 4.67 -3.80 0.00 -2.12 8.00 0.14 -1.49 116.55 121.96 2a38 n ASP 140 Ca -0.15 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.47 2a38 n ASP 140 Cb 0.47 -3.41 0.00 0.00 -0.02 0.00 0.00 41.12 38.16 2a38 n ASP 140 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a38 n GLY 141 N -1.59 2.00 3.63 0.44 0.00 -1.26 -5.03 105.19 103.38 2a38 n GLY 141 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 2a38 n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a38 s ALA 142 N -3.12 3.27 0.16 4.61 0.00 -0.56 -5.03 121.76 121.11 2a38 s ALA 142 Ca 0.00 -0.78 -0.31 0.00 0.00 0.00 0.00 51.96 50.86 2a38 s ALA 142 Cb 0.00 -1.64 -0.11 0.00 0.00 0.00 0.00 23.12 21.37 2a38 s ALA 142 CO 0.00 0.39 1.75 -2.00 0.00 0.00 0.00 175.76 175.89 2a38 s GLU 143 N -0.24 4.14 0.21 0.00 2.12 -1.26 -1.14 118.70 122.54 2a38 s GLU 143 Ca 0.06 2.56 -0.30 0.00 0.36 0.00 0.00 54.97 57.65 2a38 s GLU 143 Cb -0.12 -3.34 -0.10 0.00 0.26 0.00 0.00 34.13 30.83 2a38 s GLU 143 CO 0.02 -0.77 1.42 0.42 -0.54 0.00 0.00 175.26 175.80 2a38 s ILE 144 N 1.93 2.85 -0.19 -3.70 1.01 -0.82 -4.89 121.20 117.38 2a38 s ILE 144 Ca 0.77 0.69 -0.07 0.00 0.00 0.00 0.00 60.65 62.03 2a38 s ILE 144 Cb -0.47 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 2a38 s ILE 144 CO 0.34 0.10 0.05 -1.58 0.00 0.00 0.00 174.94 173.85 2a38 s GLN 145 N -0.00 3.90 0.34 2.79 2.00 -1.26 -4.95 119.66 122.49 2a38 s GLN 145 Ca 0.60 -0.38 -0.29 0.00 -2.00 0.00 0.00 55.36 53.30 2a38 s GLN 145 Cb -0.40 -3.20 -0.12 0.00 0.80 0.00 0.00 33.01 30.09 2a38 s GLN 145 CO 0.39 0.21 1.45 0.43 -0.50 0.00 0.00 175.29 177.27 2a38 n SER 146 N 3.73 3.45 -1.99 6.67 7.64 -1.26 -4.71 113.62 127.15 2a38 n SER 146 Ca -0.17 1.20 -0.02 0.00 1.01 0.00 0.00 58.87 60.89 2a38 n SER 146 Cb 0.52 -1.56 0.01 0.00 -1.01 0.00 0.00 64.21 62.17 2a38 n SER 146 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2a38 n SER 147 N 1.05 -0.88 0.18 6.43 3.41 0.07 -4.95 113.62 118.92 2a38 n SER 147 Ca 0.05 -1.51 0.03 0.00 -0.26 0.00 0.00 58.87 57.18 2a38 n SER 147 Cb 0.37 1.44 0.31 0.00 -0.26 0.00 0.00 64.21 66.07 2a38 n SER 147 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2a38 h LEU 148 N 0.00 0.00 0.12 1.04 3.38 -1.99 -3.24 115.31 114.62 2a38 h LEU 148 Ca -0.13 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.59 2a38 h LEU 148 Cb 0.56 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.33 2a38 h LEU 148 CO 0.18 0.43 -1.04 0.44 0.09 0.00 0.00 178.44 178.53 2a38 h ASP 149 N 0.00 0.70 -3.12 -0.43 3.32 -1.95 -3.42 116.42 111.53 2a38 h ASP 149 Ca -0.00 -0.86 -0.67 0.00 0.02 0.00 0.00 57.03 55.51 2a38 h ASP 149 Cb 0.88 -0.22 -0.34 0.00 0.22 0.00 0.00 39.33 39.87 2a38 h ASP 149 CO 0.06 1.50 -0.86 -0.36 -1.72 0.00 0.00 179.24 177.86 2a38 s PHE 150 N -2.82 2.75 -0.17 4.55 0.40 -1.22 -3.13 117.98 118.34 2a38 s PHE 150 Ca -0.11 -1.51 0.00 0.00 -0.60 0.00 0.00 56.93 54.71 2a38 s PHE 150 Cb 0.04 -1.89 0.04 0.00 0.51 0.00 0.00 43.02 41.72 2a38 s PHE 150 CO 0.89 -0.73 -0.08 -1.14 0.70 0.00 0.00 175.22 174.86 2a38 s GLN 151 N 1.12 1.76 -0.09 0.44 0.74 0.08 -0.75 119.66 122.95 2a38 s GLN 151 Ca 0.01 -0.61 -0.18 0.00 0.05 0.00 0.00 55.36 54.63 2a38 s GLN 151 Cb -0.14 -2.12 -0.05 0.00 1.10 0.00 0.00 33.01 31.80 2a38 s GLN 151 CO -0.09 -0.39 0.48 0.42 -0.55 0.00 0.00 175.29 175.16 2a38 s ILE 152 N 1.54 5.14 0.02 -2.34 -1.09 -1.26 -0.72 121.20 122.49 2a38 s ILE 152 Ca 0.01 0.96 -0.02 0.00 -2.23 0.00 0.00 60.65 59.37 2a38 s ILE 152 Cb -0.15 -3.81 -0.02 0.00 -1.58 0.00 0.00 42.46 36.90 2a38 s ILE 152 CO -0.08 0.37 0.02 -0.94 -1.23 0.00 0.00 174.94 173.08 2a38 s SER 153 N 0.31 0.22 0.01 3.58 1.04 -0.38 -4.98 113.70 113.50 2a38 s SER 153 Ca 0.26 -0.52 0.01 0.00 0.48 0.00 0.00 55.95 56.19 2a38 s SER 153 Cb -0.16 0.15 -0.01 0.00 0.10 0.00 0.00 66.02 66.11 2a38 s SER 153 CO 0.11 -0.38 -0.05 -1.58 0.98 0.00 0.00 173.24 172.32 2a38 s GLN 154 N -1.95 0.38 -0.36 4.02 0.74 -1.26 -1.10 119.66 120.13 2a38 s GLN 154 Ca -0.11 -0.32 0.03 0.00 0.05 0.00 0.00 55.36 55.00 2a38 s GLN 154 Cb -0.06 -0.28 0.15 0.00 1.10 0.00 0.00 33.01 33.92 2a38 s GLN 154 CO -0.02 0.07 0.37 -1.21 -0.55 0.00 0.00 175.29 173.94 2a38 s GLU 155 N -0.54 0.59 7.35 1.67 0.41 -0.65 -5.03 118.70 122.49 2a38 s GLU 155 Ca -0.02 -0.73 0.00 0.00 -0.41 0.00 0.00 54.97 53.81 2a38 s GLU 155 Cb -0.04 -0.70 0.00 0.00 -1.78 0.00 0.00 34.13 31.61 2a38 s GLU 155 CO -0.00 -1.17 0.00 0.41 -0.49 0.00 0.00 175.26 174.01 2a38 n GLY 156 N 4.43 1.99 0.38 -1.39 0.00 -1.26 -2.72 105.19 106.62 2a38 n GLY 156 Ca 0.09 -0.43 0.13 0.00 0.00 0.00 0.00 46.02 45.81 2a38 n GLY 156 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2a38 n ASP 157 N 8.00 1.35 -4.59 1.61 8.00 -1.26 -4.86 116.55 124.80 2a38 n ASP 157 Ca 0.00 -1.20 -0.40 0.00 0.71 0.00 0.00 54.79 53.90 2a38 n ASP 157 Cb 0.00 0.10 -0.08 0.00 -0.02 0.00 0.00 41.12 41.12 2a38 n ASP 157 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2a38 s LEU 158 N -2.29 4.18 -0.04 0.64 2.96 -1.10 -1.07 118.68 121.95 2a38 s LEU 158 Ca 0.29 0.17 0.04 0.00 -0.22 0.00 0.00 54.13 54.41 2a38 s LEU 158 Cb 0.20 -2.50 -0.03 0.00 0.50 0.00 0.00 46.19 44.36 2a38 s LEU 158 CO 0.45 -0.30 -0.15 -0.31 -1.32 0.00 0.00 176.35 174.71 2a38 s TYR 159 N 2.19 2.67 0.04 5.38 1.51 -0.19 -1.63 117.35 127.32 2a38 s TYR 159 Ca 0.17 -0.18 0.03 0.00 -1.01 0.00 0.00 57.07 56.07 2a38 s TYR 159 Cb -0.16 -1.61 -0.02 0.00 -0.11 0.00 0.00 41.96 40.06 2a38 s TYR 159 CO 0.11 0.18 -0.09 -1.12 -1.11 0.00 0.00 175.55 173.52 2a38 s SER 160 N -0.78 1.04 -0.24 2.29 0.01 -0.26 -1.38 113.70 114.38 2a38 s SER 160 Ca 0.12 -0.51 0.02 0.00 1.31 0.00 0.00 55.95 56.89 2a38 s SER 160 Cb -0.11 -0.00 0.06 0.00 0.21 0.00 0.00 66.02 66.18 2a38 s SER 160 CO 0.01 -0.13 -0.10 -0.22 0.41 0.00 0.00 173.24 173.20 2a38 s LEU 161 N -1.42 3.02 -0.20 2.44 2.96 0.50 -1.25 118.68 124.72 2a38 s LEU 161 Ca -0.06 -1.24 -0.07 0.00 -0.22 0.00 0.00 54.13 52.54 2a38 s LEU 161 Cb -0.09 -1.42 -0.04 0.00 0.50 0.00 0.00 46.19 45.14 2a38 s LEU 161 CO 0.01 -0.18 0.06 -0.22 -1.32 0.00 0.00 176.35 174.70 2a38 s LEU 162 N 1.22 3.68 -0.37 -0.68 2.96 0.10 -0.74 118.68 124.84 2a38 s LEU 162 Ca -0.06 -0.02 -0.04 0.00 -0.22 0.00 0.00 54.13 53.79 2a38 s LEU 162 Cb -0.19 -1.94 0.08 0.00 0.50 0.00 0.00 46.19 44.64 2a38 s LEU 162 CO -0.06 0.11 0.15 -0.63 -1.32 0.00 0.00 176.35 174.59 2a38 s ILE 163 N 0.77 3.39 0.23 6.68 1.01 0.17 -0.74 121.20 132.71 2a38 s ILE 163 Ca 0.03 -1.69 -0.08 0.00 0.00 0.00 0.00 60.65 58.91 2a38 s ILE 163 Cb -0.13 -3.15 0.20 0.00 0.01 0.00 0.00 42.46 39.38 2a38 s ILE 163 CO 0.02 -0.46 1.90 0.00 0.00 0.00 0.00 174.94 176.40 2a38 h ALA 164 N 8.10 1.10 -2.88 9.38 0.00 -1.78 0.32 119.26 133.50 2a38 h ALA 164 Ca -0.18 -0.06 -0.52 0.00 0.00 0.00 0.00 54.91 54.16 2a38 h ALA 164 Cb 1.06 -0.34 -0.40 0.00 0.00 0.00 0.00 17.79 18.10 2a38 h ALA 164 CO 0.65 0.48 -0.77 -1.21 0.00 0.00 0.00 179.25 178.41 2a38 s GLU 165 N -6.13 0.22 -0.08 0.00 2.02 -1.26 -3.78 118.70 109.70 2a38 s GLU 165 Ca -0.13 -0.49 -0.26 0.00 0.02 0.00 0.00 54.97 54.11 2a38 s GLU 165 Cb 0.16 -1.38 -0.03 0.00 0.10 0.00 0.00 34.13 32.99 2a38 s GLU 165 CO 0.80 -0.94 0.83 0.00 0.02 0.00 0.00 175.26 175.96 2a38 s ALA 166 N 2.06 3.35 0.25 5.21 0.00 0.17 -4.83 121.76 127.97 2a38 s ALA 166 Ca 0.07 0.22 0.10 0.00 0.00 0.00 0.00 51.96 52.35 2a38 s ALA 166 Cb -0.16 -3.17 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 2a38 s ALA 166 CO -0.30 -0.34 -0.17 0.71 0.00 0.00 0.00 175.76 175.67 2a38 s TYR 167 N 1.35 2.03 0.42 0.00 1.51 -1.26 0.15 117.35 121.55 2a38 s TYR 167 Ca 0.42 -0.45 0.25 0.00 -1.01 0.00 0.00 57.07 56.28 2a38 s TYR 167 Cb -0.18 -0.92 1.31 0.00 -0.11 0.00 0.00 41.96 42.06 2a38 s TYR 167 CO 0.19 0.54 1.67 -1.35 -1.11 0.00 0.00 175.55 175.49 2a38 h PRO 168 N 2.39 0.18 0.00 -1.71 0.11 -1.87 0.25 132.00 131.35 2a38 h PRO 168 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2a38 h PRO 168 Cb 1.24 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2a38 h PRO 168 CO 0.61 0.12 0.00 0.93 -0.21 0.00 0.00 178.00 179.45 2a38 h GLU 169 N 0.19 0.00 -0.01 1.05 5.08 -1.96 -2.29 114.58 116.64 2a38 h GLU 169 Ca 0.75 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.11 2a38 h GLU 169 Cb 2.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.45 2a38 h GLU 169 CO -0.40 0.00 -0.19 -0.25 -1.00 0.00 0.00 179.01 177.17 2a38 n ASP 170 N -2.63 1.02 -4.75 1.42 8.00 0.87 -4.92 116.55 115.55 2a38 n ASP 170 Ca -0.01 -0.94 -0.34 0.00 0.71 0.00 0.00 54.79 54.20 2a38 n ASP 170 Cb 0.11 0.08 0.06 0.00 -0.02 0.00 0.00 41.12 41.35 2a38 n ASP 170 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2a38 s SER 171 N -2.41 4.81 0.00 -2.24 0.01 -0.86 -4.94 113.70 108.07 2a38 s SER 171 Ca 0.27 2.26 0.00 0.00 1.31 0.00 0.00 55.95 59.80 2a38 s SER 171 Cb 0.20 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.84 2a38 s SER 171 CO 0.48 -1.84 0.00 0.61 0.41 0.00 0.00 173.24 172.90 2a38 n GLY 172 N 0.18 -0.74 3.59 3.44 0.00 -0.29 -5.00 105.19 106.37 2a38 n GLY 172 Ca 0.13 -1.54 -0.40 0.00 0.00 0.00 0.00 46.02 44.20 2a38 n GLY 172 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a38 s THR 173 N -2.20 5.07 -0.12 2.61 2.01 -1.26 -1.15 115.64 120.59 2a38 s THR 173 Ca 0.00 0.64 -0.04 0.00 0.31 0.00 0.00 61.69 62.60 2a38 s THR 173 Cb 0.00 -3.85 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 2a38 s THR 173 CO 0.00 -0.01 0.03 -0.31 -0.69 0.00 0.00 174.62 173.64 2a38 s TYR 174 N 2.30 3.21 0.07 4.92 1.51 0.81 0.28 117.35 130.45 2a38 s TYR 174 Ca 0.19 0.14 -0.04 0.00 -1.01 0.00 0.00 57.07 56.35 2a38 s TYR 174 Cb -0.16 -1.89 -0.03 0.00 -0.11 0.00 0.00 41.96 39.77 2a38 s TYR 174 CO 0.11 0.36 0.06 -1.54 -1.11 0.00 0.00 175.55 173.42 2a38 s SER 175 N -0.45 0.35 -0.03 2.29 1.04 0.06 -0.04 113.70 116.92 2a38 s SER 175 Ca 0.09 -0.90 0.02 0.00 0.48 0.00 0.00 55.95 55.64 2a38 s SER 175 Cb -0.12 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.26 2a38 s SER 175 CO 0.02 -0.66 -0.08 0.54 0.98 0.00 0.00 173.24 174.04 2a38 s VAL 176 N -3.91 0.74 -0.13 5.02 0.11 0.38 0.15 120.40 122.76 2a38 s VAL 176 Ca 0.08 -0.33 0.01 0.00 -2.93 0.00 0.00 61.98 58.80 2a38 s VAL 176 Cb 0.07 -0.66 -0.01 0.00 -1.53 0.00 0.00 36.38 34.25 2a38 s VAL 176 CO -0.09 0.23 -0.15 0.21 -3.33 0.00 0.00 175.10 171.97 2a38 s ASN 177 N 0.22 3.77 -0.09 3.54 3.84 -0.06 -1.13 114.94 125.02 2a38 s ASN 177 Ca -0.03 -0.41 0.03 0.00 0.21 0.00 0.00 52.86 52.66 2a38 s ASN 177 Cb -0.08 -1.57 0.01 0.00 -0.55 0.00 0.00 41.25 39.06 2a38 s ASN 177 CO 0.00 0.14 -0.18 0.00 -2.79 0.00 0.00 177.10 174.28 2a38 s ALA 178 N 0.49 1.76 0.06 1.71 0.00 -0.09 -1.35 121.76 124.34 2a38 s ALA 178 Ca -0.11 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.15 2a38 s ALA 178 Cb -0.16 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 2a38 s ALA 178 CO 0.05 0.12 -0.10 0.95 0.00 0.00 0.00 175.76 176.78 2a38 s THR 179 N 0.63 0.77 0.35 0.00 -4.23 -0.70 -1.09 115.64 111.37 2a38 s THR 179 Ca -0.14 -1.32 -0.07 0.00 -1.18 0.00 0.00 61.69 58.98 2a38 s THR 179 Cb -0.16 -0.96 0.02 0.00 1.34 0.00 0.00 72.50 72.74 2a38 s THR 179 CO 0.04 -0.42 0.58 0.54 -0.54 0.00 0.00 174.62 174.81 2a38 s ASN 180 N -1.92 0.59 0.56 3.99 4.22 -0.38 -0.83 114.94 121.17 2a38 s ASN 180 Ca -0.03 -1.35 0.26 0.00 -2.14 0.00 0.00 52.86 49.60 2a38 s ASN 180 Cb -0.07 0.72 1.50 0.00 1.28 0.00 0.00 41.25 44.68 2a38 s ASN 180 CO 0.00 -1.41 2.04 0.77 -2.04 0.00 0.00 177.10 176.46 2a38 h SER 181 N 2.08 0.00 0.03 3.54 4.64 -1.90 -2.57 113.55 119.37 2a38 h SER 181 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2a38 h SER 181 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2a38 h SER 181 CO 0.39 0.00 -0.52 1.33 -0.87 0.00 0.00 176.83 177.16 2a38 n VAL 182 N -4.07 0.00 0.00 0.95 0.24 -1.26 -5.06 118.33 109.13 2a38 n VAL 182 Ca 0.05 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 2a38 n VAL 182 Cb 0.45 1.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.92 2a38 n VAL 182 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2a38 n GLY 183 N 1.42 -0.72 2.92 7.63 0.00 -0.97 -4.75 105.19 110.72 2a38 n GLY 183 Ca 0.09 -1.06 -0.14 0.00 0.00 0.00 0.00 46.02 44.91 2a38 n GLY 183 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2a38 s ARG 184 N -2.00 0.27 0.04 1.61 3.52 -1.26 -1.25 118.95 119.88 2a38 s ARG 184 Ca 0.00 -0.11 0.04 0.00 -0.13 0.00 0.00 55.73 55.52 2a38 s ARG 184 Cb 0.00 -0.27 -0.02 0.00 -1.56 0.00 0.00 34.95 33.10 2a38 s ARG 184 CO 0.00 0.07 -0.11 0.00 -0.81 0.00 0.00 175.30 174.45 2a38 s ALA 185 N -0.05 0.86 0.04 6.12 0.00 -0.25 -4.91 121.76 123.57 2a38 s ALA 185 Ca 0.01 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.22 2a38 s ALA 185 Cb -0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 2a38 s ALA 185 CO -0.00 0.10 -0.08 0.95 0.00 0.00 0.00 175.76 176.73 2a38 s THR 186 N -1.07 0.58 -0.04 0.00 -4.23 -1.26 -0.91 115.64 108.71 2a38 s THR 186 Ca -0.04 -0.98 0.02 0.00 -1.18 0.00 0.00 61.69 59.52 2a38 s THR 186 Cb -0.09 -0.62 0.01 0.00 1.34 0.00 0.00 72.50 73.14 2a38 s THR 186 CO 0.01 -0.29 -0.11 -0.55 -0.54 0.00 0.00 174.62 173.14 2a38 s SER 187 N -1.39 1.48 0.07 3.99 0.15 -0.28 -4.98 113.70 112.74 2a38 s SER 187 Ca -0.07 -0.24 0.05 0.00 0.70 0.00 0.00 55.95 56.39 2a38 s SER 187 Cb -0.09 -0.53 -0.03 0.00 -1.71 0.00 0.00 66.02 63.66 2a38 s SER 187 CO 0.00 0.05 -0.15 -0.89 1.20 0.00 0.00 173.24 173.46 2a38 s THR 188 N 0.42 1.17 0.08 6.45 2.01 -1.26 -0.47 115.64 124.03 2a38 s THR 188 Ca -0.08 -1.32 -0.16 0.00 0.31 0.00 0.00 61.69 60.44 2a38 s THR 188 Cb -0.12 -1.12 0.03 0.00 0.01 0.00 0.00 72.50 71.30 2a38 s THR 188 CO 0.02 -0.21 0.38 0.00 -0.69 0.00 0.00 174.62 174.12 2a38 s ALA 189 N -1.26 -0.88 -0.20 7.40 0.00 0.94 -4.79 121.76 122.98 2a38 s ALA 189 Ca -0.01 0.06 -0.06 0.00 0.00 0.00 0.00 51.96 51.95 2a38 s ALA 189 Cb -0.10 0.50 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 2a38 s ALA 189 CO 0.02 -0.53 0.02 -2.00 0.00 0.00 0.00 175.76 173.27 2a38 s GLU 190 N -3.13 3.70 -0.22 0.00 2.56 -1.26 -0.13 118.70 120.22 2a38 s GLU 190 Ca -0.01 -0.48 -0.05 0.00 0.00 0.00 0.00 54.97 54.44 2a38 s GLU 190 Cb 0.01 -3.13 -0.02 0.00 2.00 0.00 0.00 34.13 33.00 2a38 s GLU 190 CO -0.07 0.06 -0.02 -1.17 -0.56 0.00 0.00 175.26 173.51 2a38 s LEU 191 N 0.89 3.08 -0.14 2.70 2.96 -0.30 -1.36 118.68 126.51 2a38 s LEU 191 Ca 0.02 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 53.64 2a38 s LEU 191 Cb -0.14 -1.79 0.01 0.00 0.50 0.00 0.00 46.19 44.77 2a38 s LEU 191 CO 0.02 0.01 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.09 2a38 s LEU 192 N 1.32 2.18 -0.17 -0.68 1.02 -0.30 -1.14 118.68 120.90 2a38 s LEU 192 Ca 0.04 -0.58 0.00 0.00 0.02 0.00 0.00 54.13 53.62 2a38 s LEU 192 Cb -0.14 -1.47 0.00 0.00 0.02 0.00 0.00 46.19 44.60 2a38 s LEU 192 CO -0.00 0.09 -0.16 -0.69 0.02 0.00 0.00 176.35 175.60 2a38 s VAL 193 N 0.79 2.53 -2.26 -1.59 1.01 -1.26 -1.14 120.40 118.48 2a38 s VAL 193 Ca -0.07 -0.80 0.30 0.00 0.00 0.00 0.00 61.98 61.40 2a38 s VAL 193 Cb -0.16 -2.07 0.73 0.00 0.00 0.00 0.00 36.38 34.88 2a38 s VAL 193 CO -0.01 0.51 1.98 0.00 0.00 0.00 0.00 175.10 177.58