#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mbr s VAL 25 N 0.00 3.53 0.60 0.52 1.01 -1.26 -4.98 120.40 119.82 3mbr s VAL 25 Ca 0.00 1.04 -0.13 0.00 0.00 0.00 0.00 61.98 62.89 3mbr s VAL 25 Cb 0.00 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 3mbr s VAL 25 CO 0.00 0.05 1.03 -2.16 0.00 0.00 0.00 175.10 174.01 3mbr s PRO 26 N 1.65 3.56 -0.24 2.72 0.04 -1.26 -4.77 135.00 136.69 3mbr s PRO 26 Ca 0.64 0.88 -0.12 0.00 0.04 0.00 0.00 61.00 62.44 3mbr s PRO 26 Cb -0.34 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.08 3mbr s PRO 26 CO 0.29 -0.60 0.23 0.99 0.04 0.00 0.00 177.00 177.95 3mbr s THR 27 N -2.95 5.30 -0.09 1.26 2.01 -1.26 -0.93 115.64 118.98 3mbr s THR 27 Ca 0.57 0.32 -0.14 0.00 0.31 0.00 0.00 61.69 62.75 3mbr s THR 27 Cb -0.12 -3.57 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 3mbr s THR 27 CO 0.47 0.29 0.33 -1.58 -0.69 0.00 0.00 174.62 173.44 3mbr s GLN 28 N 1.34 4.03 0.94 4.92 0.74 0.37 -4.94 119.66 127.07 3mbr s GLN 28 Ca 0.10 0.22 -0.14 0.00 0.05 0.00 0.00 55.36 55.59 3mbr s GLN 28 Cb -0.14 -3.32 0.16 0.00 1.10 0.00 0.00 33.01 30.81 3mbr s GLN 28 CO 0.07 0.47 1.18 0.20 -0.55 0.00 0.00 175.29 176.66 3mbr s GLY 29 N -0.28 1.63 0.20 2.59 0.00 -1.26 -4.46 107.32 105.74 3mbr s GLY 29 Ca 0.20 -0.76 -0.18 0.00 0.00 0.00 0.00 44.72 43.98 3mbr s GLY 29 CO 0.08 -0.12 0.54 -2.52 0.00 0.00 0.00 173.10 171.08 3mbr s TYR 30 N -3.44 -0.15 0.05 1.90 -0.85 -1.26 -0.45 117.35 113.16 3mbr s TYR 30 Ca 0.67 -0.20 0.05 0.00 -0.52 0.00 0.00 57.07 57.07 3mbr s TYR 30 Cb -0.11 0.42 -0.03 0.00 0.38 0.00 0.00 41.96 42.63 3mbr s TYR 30 CO 0.53 -0.93 -0.13 -0.98 -1.52 0.00 0.00 175.55 172.51 3mbr s ARG 31 N -3.87 0.82 -0.29 -3.49 1.70 -0.29 -4.89 118.95 108.64 3mbr s ARG 31 Ca 0.09 -0.84 -0.28 0.00 -0.47 0.00 0.00 55.73 54.23 3mbr s ARG 31 Cb -0.01 -0.80 0.01 0.00 -0.57 0.00 0.00 34.95 33.58 3mbr s ARG 31 CO -0.03 0.19 1.02 0.08 -1.08 0.00 0.00 175.30 175.48 3mbr s VAL 32 N -1.10 4.61 -0.11 4.99 1.01 -1.26 -0.81 120.40 127.73 3mbr s VAL 32 Ca -0.01 1.73 -0.24 0.00 0.00 0.00 0.00 61.98 63.46 3mbr s VAL 32 Cb -0.09 -4.34 -0.21 0.00 0.00 0.00 0.00 36.38 31.74 3mbr s VAL 32 CO 0.02 -0.35 0.76 0.58 0.00 0.00 0.00 175.10 176.10 3mbr h VAL 33 N 5.63 1.40 -2.47 2.92 2.07 -1.10 -3.48 116.25 121.22 3mbr h VAL 33 Ca -0.21 -1.87 -0.09 0.00 0.82 0.00 0.00 66.70 65.36 3mbr h VAL 33 Cb 1.07 2.57 -0.21 0.00 -1.52 0.00 0.00 31.29 33.19 3mbr h VAL 33 CO 0.99 0.44 -0.06 -0.75 0.02 0.00 0.00 177.57 178.22 3mbr s LYS 34 N -2.57 0.75 -0.10 1.57 2.20 -1.16 -5.01 119.74 115.42 3mbr s LYS 34 Ca -0.15 0.38 -0.03 0.00 -0.36 0.00 0.00 55.97 55.80 3mbr s LYS 34 Cb -0.02 0.36 -0.04 0.00 -1.51 0.00 0.00 37.83 36.62 3mbr s LYS 34 CO 0.58 -0.17 0.04 1.03 -0.36 0.00 0.00 175.35 176.46 3mbr s ARG 35 N -0.52 3.16 0.12 4.03 0.52 -1.26 -1.10 118.95 123.90 3mbr s ARG 35 Ca -0.06 -0.34 0.08 0.00 -0.52 0.00 0.00 55.73 54.89 3mbr s ARG 35 Cb -0.03 -2.91 -0.04 0.00 0.52 0.00 0.00 34.95 32.49 3mbr s ARG 35 CO 0.04 0.69 -0.20 0.71 0.02 0.00 0.00 175.30 176.55 3mbr s TYR 36 N -0.81 1.80 0.43 -0.53 1.51 0.55 -4.98 117.35 115.32 3mbr s TYR 36 Ca 0.13 -0.43 -0.25 0.00 -1.01 0.00 0.00 57.07 55.51 3mbr s TYR 36 Cb -0.12 -0.97 -0.08 0.00 -0.11 0.00 0.00 41.96 40.69 3mbr s TYR 36 CO 0.03 0.23 1.32 -1.25 -1.11 0.00 0.00 175.55 174.77 3mbr s PRO 37 N -2.10 3.81 0.02 -1.71 0.04 -1.26 -0.76 135.00 133.04 3mbr s PRO 37 Ca 0.09 2.19 0.04 0.00 0.04 0.00 0.00 61.00 63.35 3mbr s PRO 37 Cb -0.09 -2.66 -0.02 0.00 0.04 0.00 0.00 34.50 31.77 3mbr s PRO 37 CO 0.05 -0.63 -0.11 -1.58 0.04 0.00 0.00 177.00 174.76 3mbr s HIS 38 N -1.27 0.99 -0.03 0.56 2.46 -0.60 -3.94 115.29 113.45 3mbr s HIS 38 Ca 0.60 -0.28 -0.30 0.00 0.47 0.00 0.00 55.06 55.54 3mbr s HIS 38 Cb -0.39 -0.61 -0.04 0.00 -0.13 0.00 0.00 32.58 31.41 3mbr s HIS 38 CO 0.49 -0.00 1.30 0.34 -2.47 0.00 0.00 174.74 174.40 3mbr s ASP 39 N -0.77 6.95 0.00 9.88 -1.08 -1.26 -4.39 116.67 126.00 3mbr s ASP 39 Ca 0.01 1.95 0.26 0.00 -0.52 0.00 0.00 52.55 54.26 3mbr s ASP 39 Cb -0.06 -2.56 1.57 0.00 -1.46 0.00 0.00 42.92 40.41 3mbr s ASP 39 CO 0.00 -0.66 1.97 0.35 0.52 0.00 0.00 175.17 177.36 3mbr n THR 40 N 4.67 0.00 1.32 1.71 -2.24 -1.26 -1.52 114.28 116.96 3mbr n THR 40 Ca 0.12 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.04 3mbr n THR 40 Cb 0.45 -0.48 0.63 0.00 -2.10 0.00 0.00 70.33 68.82 3mbr n THR 40 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3mbr n THR 41 N -0.94 0.00 -2.75 4.28 -2.24 -1.26 -4.43 114.28 106.93 3mbr n THR 41 Ca 0.20 -0.03 -0.43 0.00 -2.27 0.00 0.00 64.05 61.52 3mbr n THR 41 Cb 0.09 -0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 68.04 3mbr n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mbr s ALA 42 N -2.62 3.15 -1.26 6.98 0.00 -0.58 -4.92 121.76 122.51 3mbr s ALA 42 Ca 0.25 -0.94 -0.11 0.00 0.00 0.00 0.00 51.96 51.16 3mbr s ALA 42 Cb 0.20 -3.79 0.16 0.00 0.00 0.00 0.00 23.12 19.69 3mbr s ALA 42 CO 0.50 -2.33 1.70 1.19 0.00 0.00 0.00 175.76 176.82 3mbr n PHE 43 N 7.62 3.82 -1.63 0.00 3.01 -1.26 -0.98 117.46 128.05 3mbr n PHE 43 Ca 0.06 -3.03 -0.49 0.00 1.01 0.00 0.00 57.45 55.00 3mbr n PHE 43 Cb 0.48 -2.08 -0.05 0.00 -0.01 0.00 0.00 39.48 37.83 3mbr n PHE 43 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 3mbr n THR 44 N 3.96 0.13 -0.04 4.37 -1.04 -1.26 -1.11 114.28 119.30 3mbr n THR 44 Ca 0.39 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.37 3mbr n THR 44 Cb 0.39 -1.16 0.00 0.00 -1.82 0.00 0.00 70.33 67.74 3mbr n THR 44 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3mbr n GLU 45 N 2.80 1.07 0.00 -2.82 -0.58 0.75 -4.55 120.64 117.31 3mbr n GLU 45 Ca 0.17 -0.35 0.00 0.00 -0.42 0.00 0.00 57.16 56.56 3mbr n GLU 45 Cb 0.24 -0.84 0.00 0.00 -0.57 0.00 0.00 31.44 30.27 3mbr n GLU 45 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mbr n GLY 46 N 0.25 1.84 3.36 0.62 0.00 -1.18 -3.25 105.19 106.84 3mbr n GLY 46 Ca 0.00 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.21 3mbr n GLY 46 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3mbr s LEU 47 N 0.00 0.22 0.22 0.99 2.96 -1.26 -1.64 118.68 120.17 3mbr s LEU 47 Ca 0.00 0.76 -0.09 0.00 -0.22 0.00 0.00 54.13 54.58 3mbr s LEU 47 Cb 0.00 1.66 -0.02 0.00 0.50 0.00 0.00 46.19 48.34 3mbr s LEU 47 CO 0.00 -0.27 0.34 0.72 -1.32 0.00 0.00 176.35 175.82 3mbr s PHE 48 N -0.23 0.61 -0.02 5.38 -0.12 -0.28 -4.37 117.98 118.95 3mbr s PHE 48 Ca -0.04 -0.93 0.07 0.00 -0.05 0.00 0.00 56.93 55.98 3mbr s PHE 48 Cb -0.03 -0.08 -0.02 0.00 -0.63 0.00 0.00 43.02 42.26 3mbr s PHE 48 CO 0.02 -0.84 -0.23 -0.47 -0.05 0.00 0.00 175.22 173.65 3mbr s TYR 49 N -4.05 2.05 -0.20 3.49 6.14 -1.26 -0.91 117.35 122.61 3mbr s TYR 49 Ca 0.27 -0.40 -0.09 0.00 0.64 0.00 0.00 57.07 57.48 3mbr s TYR 49 Cb 0.02 -1.32 0.08 0.00 0.42 0.00 0.00 41.96 41.16 3mbr s TYR 49 CO 0.08 -0.05 0.47 -1.17 0.64 0.00 0.00 175.55 175.53 3mbr s LEU 50 N -0.51 -0.49 -1.49 6.97 2.96 0.64 -4.85 118.68 121.92 3mbr s LEU 50 Ca 0.08 1.06 -0.07 0.00 -0.22 0.00 0.00 54.13 54.98 3mbr s LEU 50 Cb -0.09 1.56 0.06 0.00 0.50 0.00 0.00 46.19 48.21 3mbr s LEU 50 CO -0.01 -0.22 0.66 0.54 -1.32 0.00 0.00 176.35 176.01 3mbr n ARG 51 N 4.78 -3.96 -0.52 1.98 3.00 -1.26 -1.56 116.66 119.12 3mbr n ARG 51 Ca -0.17 0.47 0.00 0.00 -0.01 0.00 0.00 57.85 58.14 3mbr n ARG 51 Cb 0.53 -4.96 0.00 0.00 0.00 0.00 0.00 32.46 28.03 3mbr n ARG 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3mbr n GLY 52 N -1.73 0.96 3.35 -0.13 0.00 -1.26 -5.03 105.19 101.36 3mbr n GLY 52 Ca -0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 3mbr n GLY 52 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3mbr s HIS 53 N -3.13 1.93 0.21 1.61 3.76 -0.60 -4.49 115.29 114.58 3mbr s HIS 53 Ca 0.00 -0.43 -0.08 0.00 -0.15 0.00 0.00 55.06 54.40 3mbr s HIS 53 Cb 0.00 -0.98 -0.07 0.00 1.11 0.00 0.00 32.58 32.64 3mbr s HIS 53 CO 0.00 0.35 0.50 -0.51 -0.85 0.00 0.00 174.74 174.23 3mbr s LEU 54 N -2.53 4.19 -0.07 0.89 1.43 -0.60 -0.26 118.68 121.74 3mbr s LEU 54 Ca 0.15 0.82 0.04 0.00 -1.03 0.00 0.00 54.13 54.11 3mbr s LEU 54 Cb -0.07 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.58 3mbr s LEU 54 CO 0.07 -0.04 -0.19 -0.31 0.23 0.00 0.00 176.35 176.11 3mbr s TYR 55 N -1.78 1.98 -0.05 0.29 1.51 -0.08 -0.12 117.35 119.10 3mbr s TYR 55 Ca 0.45 -0.69 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 3mbr s TYR 55 Cb -0.11 -1.35 0.02 0.00 -0.11 0.00 0.00 41.96 40.41 3mbr s TYR 55 CO 0.22 -0.28 -0.02 -2.00 -1.11 0.00 0.00 175.55 172.37 3mbr s GLU 56 N 0.26 0.64 0.09 -0.62 2.12 0.04 -1.12 118.70 120.10 3mbr s GLU 56 Ca -0.11 -0.01 -0.23 0.00 0.36 0.00 0.00 54.97 54.99 3mbr s GLU 56 Cb -0.15 -0.77 -0.07 0.00 0.26 0.00 0.00 34.13 33.41 3mbr s GLU 56 CO 0.05 -0.14 0.68 0.45 -0.54 0.00 0.00 175.26 175.75 3mbr s SER 57 N 1.17 7.19 -0.04 -1.70 0.15 -0.65 -0.48 113.70 119.33 3mbr s SER 57 Ca -0.07 1.41 0.04 0.00 0.70 0.00 0.00 55.95 58.02 3mbr s SER 57 Cb -0.14 -2.43 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 3mbr s SER 57 CO -0.02 0.18 -0.15 0.42 1.20 0.00 0.00 173.24 174.88 3mbr s THR 58 N -0.79 1.25 -0.22 6.45 -4.23 -0.14 -0.17 115.64 117.79 3mbr s THR 58 Ca 0.33 -0.60 -0.02 0.00 -1.18 0.00 0.00 61.69 60.22 3mbr s THR 58 Cb -0.21 -1.09 0.01 0.00 1.34 0.00 0.00 72.50 72.56 3mbr s THR 58 CO 0.22 0.37 -0.09 -0.83 -0.54 0.00 0.00 174.62 173.75 3mbr s GLY 59 N 0.16 1.56 -0.27 3.99 0.00 -0.26 -1.73 107.32 110.77 3mbr s GLY 59 Ca -0.05 -1.30 -0.24 0.00 0.00 0.00 0.00 44.72 43.13 3mbr s GLY 59 CO 0.02 0.43 0.77 1.85 0.00 0.00 0.00 173.10 176.17 3mbr s GLU 60 N 1.37 0.77 0.45 2.90 2.12 -1.21 -4.81 118.70 120.28 3mbr s GLU 60 Ca 0.03 0.95 0.17 0.00 0.36 0.00 0.00 54.97 56.48 3mbr s GLU 60 Cb -0.15 0.35 1.05 0.00 0.26 0.00 0.00 34.13 35.64 3mbr s GLU 60 CO -0.06 -0.10 1.98 0.00 -0.54 0.00 0.00 175.26 176.55 3mbr h THR 61 N 4.03 1.05 -0.05 -1.70 1.03 -1.90 -2.57 112.91 112.79 3mbr h THR 61 Ca -0.29 -0.70 0.00 0.00 -0.01 0.00 0.00 66.41 65.41 3mbr h THR 61 Cb 1.17 1.39 0.00 0.00 -1.07 0.00 0.00 68.15 69.63 3mbr h THR 61 CO 0.07 0.19 0.00 0.61 -0.01 0.00 0.00 175.52 176.38 3mbr n GLY 62 N -0.88 -0.60 0.00 2.99 0.00 -1.26 -4.66 105.19 100.78 3mbr n GLY 62 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3mbr n GLY 62 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3mbr n ARG 63 N -0.43 0.00 -4.37 1.61 0.63 -0.98 -5.18 116.66 107.94 3mbr n ARG 63 Ca 0.14 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.88 3mbr n ARG 63 Cb 0.14 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 32.91 3mbr n ARG 63 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3mbr s SER 64 N 0.00 1.32 0.15 6.15 0.15 -1.19 -3.35 113.70 116.93 3mbr s SER 64 Ca 0.00 -0.30 -0.08 0.00 0.70 0.00 0.00 55.95 56.27 3mbr s SER 64 Cb 0.00 -0.11 -0.01 0.00 -1.71 0.00 0.00 66.02 64.19 3mbr s SER 64 CO 0.00 0.07 0.25 -0.94 1.20 0.00 0.00 173.24 173.82 3mbr s SER 65 N -0.65 0.08 -0.12 5.45 1.04 -0.71 -1.54 113.70 117.26 3mbr s SER 65 Ca 0.02 -0.89 0.03 0.00 0.48 0.00 0.00 55.95 55.59 3mbr s SER 65 Cb -0.06 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.48 3mbr s SER 65 CO 0.00 -0.86 -0.22 -0.69 0.98 0.00 0.00 173.24 172.45 3mbr s VAL 66 N -3.97 2.15 -0.04 5.02 1.01 0.04 -0.96 120.40 123.66 3mbr s VAL 66 Ca 0.17 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 61.24 3mbr s VAL 66 Cb 0.04 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 3mbr s VAL 66 CO -0.01 0.55 -0.23 -0.13 0.00 0.00 0.00 175.10 175.28 3mbr s ARG 67 N 0.52 2.32 -0.24 2.72 0.52 0.36 -1.08 118.95 124.08 3mbr s ARG 67 Ca -0.14 -0.87 -0.11 0.00 -0.52 0.00 0.00 55.73 54.10 3mbr s ARG 67 Cb -0.17 -2.15 -0.05 0.00 0.52 0.00 0.00 34.95 33.10 3mbr s ARG 67 CO 0.05 0.53 0.17 0.21 0.02 0.00 0.00 175.30 176.27 3mbr s LYS 68 N -0.52 4.07 -0.04 3.54 2.20 0.23 -0.78 119.74 128.43 3mbr s LYS 68 Ca 0.07 -0.26 0.04 0.00 -0.36 0.00 0.00 55.97 55.46 3mbr s LYS 68 Cb -0.11 -3.54 -0.00 0.00 -1.51 0.00 0.00 37.83 32.66 3mbr s LYS 68 CO 0.00 0.05 -0.16 0.08 -0.36 0.00 0.00 175.35 174.96 3mbr s VAL 69 N 1.10 1.33 -0.13 4.02 1.01 0.82 0.04 120.40 128.60 3mbr s VAL 69 Ca 0.08 -0.66 -0.29 0.00 0.00 0.00 0.00 61.98 61.11 3mbr s VAL 69 Cb -0.14 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 3mbr s VAL 69 CO 0.05 0.39 1.36 -0.62 0.00 0.00 0.00 175.10 176.28 3mbr s ASP 70 N 0.12 6.88 0.15 3.32 -1.08 -0.25 -1.55 116.67 124.25 3mbr s ASP 70 Ca -0.05 1.85 -0.18 0.00 -0.52 0.00 0.00 52.55 53.65 3mbr s ASP 70 Cb -0.12 -2.54 0.04 0.00 -1.46 0.00 0.00 42.92 38.84 3mbr s ASP 70 CO 0.02 -0.79 1.71 0.25 0.52 0.00 0.00 175.17 176.88 3mbr h LEU 71 N 9.73 -0.14 -0.99 -1.34 5.85 -1.90 0.22 115.31 126.73 3mbr h LEU 71 Ca -0.30 0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.38 3mbr h LEU 71 Cb 1.13 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 3mbr h LEU 71 CO 0.96 -0.04 -0.49 -0.33 -0.34 0.00 0.00 178.44 178.20 3mbr h GLU 72 N 0.07 0.00 0.00 1.25 4.39 -1.93 -3.27 114.58 115.09 3mbr h GLU 72 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 3mbr h GLU 72 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3mbr h GLU 72 CO -0.25 0.49 -1.27 0.25 -1.16 0.00 0.00 179.01 177.07 3mbr n THR 73 N -3.90 0.00 -0.89 1.13 -2.24 -1.18 -4.54 114.28 102.67 3mbr n THR 73 Ca -0.01 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3mbr n THR 73 Cb 0.52 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 3mbr n THR 73 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mbr n GLY 74 N 1.82 0.58 3.78 3.38 0.00 0.77 -4.71 105.19 110.82 3mbr n GLY 74 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 3mbr n GLY 74 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mbr s ARG 75 N -0.41 4.34 -0.17 1.61 0.52 -1.25 -4.50 118.95 119.10 3mbr s ARG 75 Ca 0.00 1.41 -0.29 0.00 -0.52 0.00 0.00 55.73 56.33 3mbr s ARG 75 Cb 0.00 -2.62 -0.00 0.00 0.52 0.00 0.00 34.95 32.84 3mbr s ARG 75 CO 0.00 0.04 1.05 0.42 0.02 0.00 0.00 175.30 176.83 3mbr s ILE 76 N -1.68 4.67 -0.09 1.52 1.01 -1.26 -1.09 121.20 124.28 3mbr s ILE 76 Ca 0.55 1.98 0.08 0.00 0.00 0.00 0.00 60.65 63.26 3mbr s ILE 76 Cb -0.20 -4.28 -0.24 0.00 0.01 0.00 0.00 42.46 37.76 3mbr s ILE 76 CO 0.25 -0.09 0.49 0.18 0.00 0.00 0.00 174.94 175.77 3mbr n LEU 77 N 5.75 1.28 -3.56 2.97 4.77 0.11 -4.96 117.00 123.36 3mbr n LEU 77 Ca 0.11 0.30 -0.15 0.00 -0.03 0.00 0.00 56.01 56.24 3mbr n LEU 77 Cb 0.47 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.36 3mbr n LEU 77 CO 0.52 0.53 0.32 -1.58 -1.33 0.00 0.00 177.39 175.86 3mbr s GLN 78 N -2.57 1.03 0.03 3.23 0.74 -1.16 -5.00 119.66 115.97 3mbr s GLN 78 Ca -0.11 -0.07 -0.18 0.00 0.05 0.00 0.00 55.36 55.05 3mbr s GLN 78 Cb 0.07 0.48 0.04 0.00 1.10 0.00 0.00 33.01 34.70 3mbr s GLN 78 CO 0.80 -0.36 0.42 -0.98 -0.55 0.00 0.00 175.29 174.62 3mbr s ARG 79 N -2.01 0.89 0.04 1.67 1.70 -1.26 -0.60 118.95 119.38 3mbr s ARG 79 Ca -0.08 -0.30 0.05 0.00 -0.47 0.00 0.00 55.73 54.94 3mbr s ARG 79 Cb -0.01 0.40 -0.02 0.00 -0.57 0.00 0.00 34.95 34.75 3mbr s ARG 79 CO 0.02 -0.30 -0.15 0.00 -1.08 0.00 0.00 175.30 173.79 3mbr s ALA 80 N -2.23 1.24 -0.03 7.88 0.00 -0.24 -4.98 121.76 123.40 3mbr s ALA 80 Ca -0.07 -0.86 -0.19 0.00 0.00 0.00 0.00 51.96 50.84 3mbr s ALA 80 Cb -0.01 -0.20 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 3mbr s ALA 80 CO -0.01 0.24 0.52 -1.21 0.00 0.00 0.00 175.76 175.31 3mbr s GLU 81 N -1.17 4.24 0.27 0.00 0.41 -1.26 -0.78 118.70 120.41 3mbr s GLU 81 Ca 0.02 0.59 -0.29 0.00 -0.41 0.00 0.00 54.97 54.88 3mbr s GLU 81 Cb -0.08 -3.34 -0.09 0.00 -1.78 0.00 0.00 34.13 28.83 3mbr s GLU 81 CO 0.01 0.38 1.25 0.08 -0.49 0.00 0.00 175.26 176.49 3mbr s VAL 82 N -0.17 3.13 -0.25 2.63 1.01 -0.59 -4.90 120.40 121.26 3mbr s VAL 82 Ca 0.28 1.05 -0.39 0.00 0.00 0.00 0.00 61.98 62.92 3mbr s VAL 82 Cb -0.17 -3.67 -0.15 0.00 0.00 0.00 0.00 36.38 32.40 3mbr s VAL 82 CO 0.15 0.21 1.81 -2.65 0.00 0.00 0.00 175.10 174.62 3mbr n PRO 83 N 1.61 1.36 -1.76 2.72 -0.02 -1.26 -4.78 135.00 132.86 3mbr n PRO 83 Ca 0.02 0.49 -0.39 0.00 -2.02 0.00 0.00 63.50 61.60 3mbr n PRO 83 Cb 0.43 -2.24 0.04 0.00 -0.02 0.00 0.00 33.50 31.71 3mbr n PRO 83 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3mbr s PRO 84 N 3.90 3.23 -0.25 0.52 0.02 -1.26 -1.77 135.00 139.39 3mbr s PRO 84 Ca 0.98 2.31 0.06 0.00 0.02 0.00 0.00 61.00 64.37 3mbr s PRO 84 Cb -0.98 -2.34 0.51 0.00 0.02 0.00 0.00 34.50 31.70 3mbr s PRO 84 CO 0.62 -1.14 1.53 -0.35 -0.33 0.00 0.00 177.00 177.33 3mbr n PRO 85 N -0.86 2.61 -1.79 5.54 -0.04 -1.26 -5.12 135.00 134.09 3mbr n PRO 85 Ca 0.09 -2.13 -0.31 0.00 -0.04 0.00 0.00 63.50 61.12 3mbr n PRO 85 Cb 0.44 -1.90 0.04 0.00 -0.04 0.00 0.00 33.50 32.03 3mbr n PRO 85 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3mbr s TYR 86 N -2.26 3.36 -0.22 0.54 1.51 -0.73 -4.88 117.35 114.68 3mbr s TYR 86 Ca 0.39 1.22 -0.01 0.00 -1.01 0.00 0.00 57.07 57.66 3mbr s TYR 86 Cb 0.31 -2.90 0.02 0.00 -0.11 0.00 0.00 41.96 39.28 3mbr s TYR 86 CO 0.09 -1.06 -0.11 0.12 -1.11 0.00 0.00 175.55 173.48 3mbr s PHE 87 N -3.21 2.95 0.51 2.71 5.99 -1.26 -4.65 117.98 121.02 3mbr s PHE 87 Ca 0.57 -1.46 -0.21 0.00 0.00 0.00 0.00 56.93 55.83 3mbr s PHE 87 Cb -0.12 -2.02 -0.06 0.00 0.00 0.00 0.00 43.02 40.82 3mbr s PHE 87 CO 0.53 -0.72 1.19 0.20 -0.00 0.00 0.00 175.22 176.43 3mbr s GLY 88 N 1.34 2.75 0.00 13.12 0.00 -1.26 -1.50 107.32 121.78 3mbr s GLY 88 Ca 0.03 0.97 0.00 0.00 0.00 0.00 0.00 44.72 45.72 3mbr s GLY 88 CO -0.07 1.40 0.00 0.00 0.00 0.00 0.00 173.10 174.43 3mbr n ALA 89 N -0.94 0.00 -0.81 3.20 0.00 0.24 -4.42 120.51 117.78 3mbr n ALA 89 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.23 3mbr n ALA 89 Cb 0.49 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.10 3mbr n ALA 89 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3mbr s GLY 90 N 0.00 1.66 0.04 0.00 0.00 -0.58 -4.53 107.32 103.91 3mbr s GLY 90 Ca 0.00 0.41 -0.02 0.00 0.00 0.00 0.00 44.72 45.11 3mbr s GLY 90 CO 0.00 0.85 0.01 -0.26 0.00 0.00 0.00 173.10 173.70 3mbr s ILE 91 N -2.69 0.16 0.02 0.90 -4.36 -1.26 -1.37 121.20 112.60 3mbr s ILE 91 Ca 0.66 -1.33 -0.18 0.00 -0.26 0.00 0.00 60.65 59.54 3mbr s ILE 91 Cb -0.22 -0.96 0.03 0.00 1.25 0.00 0.00 42.46 42.56 3mbr s ILE 91 CO 0.58 -0.73 0.40 0.54 0.24 0.00 0.00 174.94 175.97 3mbr s VAL 92 N -2.82 0.05 0.08 8.37 0.11 -0.59 -4.55 120.40 121.06 3mbr s VAL 92 Ca -0.03 -0.44 -0.10 0.00 -2.93 0.00 0.00 61.98 58.48 3mbr s VAL 92 Cb -0.00 -0.86 -0.06 0.00 -1.53 0.00 0.00 36.38 33.93 3mbr s VAL 92 CO -0.06 -0.24 0.40 0.00 -3.33 0.00 0.00 175.10 171.87 3mbr s ALA 93 N -2.01 3.72 -0.21 1.54 0.00 -1.26 -0.95 121.76 122.59 3mbr s ALA 93 Ca -0.08 -0.37 -0.04 0.00 0.00 0.00 0.00 51.96 51.46 3mbr s ALA 93 Cb -0.02 -2.28 0.09 0.00 0.00 0.00 0.00 23.12 20.91 3mbr s ALA 93 CO 0.01 0.56 0.17 -0.46 0.00 0.00 0.00 175.76 176.04 3mbr s TRP 94 N -1.39 -0.08 0.00 0.00 -0.11 0.14 -4.88 118.94 112.62 3mbr s TRP 94 Ca 0.33 -0.08 0.00 0.00 1.22 0.00 0.00 56.10 57.57 3mbr s TRP 94 Cb -0.14 -0.52 0.00 0.00 -1.50 0.00 0.00 33.47 31.31 3mbr s TRP 94 CO 0.18 -0.61 0.00 0.54 -4.62 0.00 0.00 176.95 172.44 3mbr n ARG 95 N 5.30 0.00 -0.29 5.86 1.74 -1.26 -0.67 116.66 127.34 3mbr n ARG 95 Ca -0.06 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.12 3mbr n ARG 95 Cb 0.49 0.00 0.27 0.00 -1.02 0.00 0.00 32.46 32.20 3mbr n ARG 95 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3mbr n ASP 96 N 7.80 3.27 -4.54 0.55 3.85 -1.26 -4.94 116.55 121.28 3mbr n ASP 96 Ca 0.00 -1.99 -0.27 0.00 -0.71 0.00 0.00 54.79 51.82 3mbr n ASP 96 Cb 0.00 -0.39 -0.10 0.00 -1.35 0.00 0.00 41.12 39.28 3mbr n ASP 96 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 3mbr s ARG 97 N -1.23 1.95 -0.19 0.11 0.52 0.16 -1.02 118.95 119.25 3mbr s ARG 97 Ca 0.41 -1.28 -0.00 0.00 -0.52 0.00 0.00 55.73 54.34 3mbr s ARG 97 Cb 0.22 -2.12 0.01 0.00 0.52 0.00 0.00 34.95 33.58 3mbr s ARG 97 CO 0.29 0.44 -0.15 -1.17 0.02 0.00 0.00 175.30 174.73 3mbr s LEU 98 N -2.67 2.40 -0.13 2.53 0.20 -0.26 -0.69 118.68 120.08 3mbr s LEU 98 Ca 0.23 -0.55 -0.04 0.00 0.69 0.00 0.00 54.13 54.47 3mbr s LEU 98 Cb -0.09 -1.57 -0.03 0.00 -0.43 0.00 0.00 46.19 44.07 3mbr s LEU 98 CO 0.14 0.01 0.00 -0.63 -0.29 0.00 0.00 176.35 175.58 3mbr s ILE 99 N 1.26 4.28 0.02 6.68 1.01 -0.12 -0.45 121.20 133.87 3mbr s ILE 99 Ca 0.03 -0.24 0.03 0.00 0.00 0.00 0.00 60.65 60.47 3mbr s ILE 99 Cb -0.14 -2.85 -0.01 0.00 0.01 0.00 0.00 42.46 39.47 3mbr s ILE 99 CO -0.08 0.54 -0.09 -1.58 0.00 0.00 0.00 174.94 173.74 3mbr s GLN 100 N -0.23 0.63 0.44 2.79 0.74 0.08 -1.54 119.66 122.57 3mbr s GLN 100 Ca 0.06 -0.49 0.03 0.00 0.05 0.00 0.00 55.36 55.00 3mbr s GLN 100 Cb -0.12 -0.56 0.00 0.00 1.10 0.00 0.00 33.01 33.43 3mbr s GLN 100 CO 0.02 0.14 0.63 -0.51 -0.55 0.00 0.00 175.29 175.02 3mbr s LEU 101 N -0.75 3.66 0.25 3.68 1.43 -0.47 -1.14 118.68 125.34 3mbr s LEU 101 Ca -0.01 0.05 0.12 0.00 -1.03 0.00 0.00 54.13 53.26 3mbr s LEU 101 Cb -0.06 -2.96 -0.05 0.00 0.03 0.00 0.00 46.19 43.16 3mbr s LEU 101 CO 0.00 -0.72 -0.21 0.42 0.23 0.00 0.00 176.35 176.07 3mbr s THR 102 N -2.48 2.43 0.03 5.49 -4.23 -1.00 -0.59 115.64 115.29 3mbr s THR 102 Ca 0.50 -2.27 -0.21 0.00 -1.18 0.00 0.00 61.69 58.52 3mbr s THR 102 Cb -0.10 -2.24 -0.12 0.00 1.34 0.00 0.00 72.50 71.39 3mbr s THR 102 CO 0.36 -0.30 1.22 -0.25 -0.54 0.00 0.00 174.62 175.11 3mbr h TRP 103 N 2.60 -0.70 0.00 3.99 7.01 -1.40 -2.81 115.95 124.65 3mbr h TRP 103 Ca -0.42 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.56 3mbr h TRP 103 Cb 1.24 0.23 0.00 0.00 -2.10 0.00 0.00 29.16 28.53 3mbr h TRP 103 CO 0.77 -0.43 -0.03 0.54 -2.79 0.00 0.00 178.44 176.49 3mbr n ARG 104 N -4.18 1.86 0.00 2.65 1.74 -1.26 -2.29 116.66 115.19 3mbr n ARG 104 Ca -0.09 -1.43 0.13 0.00 -0.77 0.00 0.00 57.85 55.69 3mbr n ARG 104 Cb 0.30 -0.94 0.32 0.00 -1.02 0.00 0.00 32.46 31.12 3mbr n ARG 104 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3mbr n ASN 105 N -0.51 0.89 0.00 0.55 4.13 -1.26 -4.93 115.26 114.13 3mbr n ASN 105 Ca 0.03 -0.72 0.00 0.00 1.68 0.00 0.00 54.58 55.57 3mbr n ASN 105 Cb 0.40 0.19 0.00 0.00 -1.54 0.00 0.00 39.78 38.83 3mbr n ASN 105 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 3mbr n HIS 106 N -0.90 0.00 -4.94 3.10 8.25 -1.26 -4.95 115.22 114.52 3mbr n HIS 106 Ca 0.10 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.24 3mbr n HIS 106 Cb 0.35 -0.40 -0.14 0.00 1.12 0.00 0.00 29.99 30.91 3mbr n HIS 106 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3mbr s GLU 107 N -0.28 2.27 0.30 -0.41 2.02 -1.26 -0.03 118.70 121.30 3mbr s GLU 107 Ca 0.00 -0.84 0.08 0.00 0.02 0.00 0.00 54.97 54.23 3mbr s GLU 107 Cb 0.00 -2.23 -0.06 0.00 0.10 0.00 0.00 34.13 31.94 3mbr s GLU 107 CO 0.00 0.58 -0.08 0.20 0.02 0.00 0.00 175.26 175.98 3mbr s GLY 108 N -0.90 1.95 0.06 -1.39 0.00 0.68 -2.36 107.32 105.35 3mbr s GLY 108 Ca 0.12 -1.96 0.05 0.00 0.00 0.00 0.00 44.72 42.93 3mbr s GLY 108 CO 0.01 -1.91 -0.13 -1.36 0.00 0.00 0.00 173.10 169.71 3mbr s PHE 109 N -2.85 1.16 -0.12 1.90 0.40 -0.29 -1.21 117.98 116.97 3mbr s PHE 109 Ca 0.30 -0.44 0.03 0.00 -0.60 0.00 0.00 56.93 56.22 3mbr s PHE 109 Cb 0.03 -0.66 0.01 0.00 0.51 0.00 0.00 43.02 42.90 3mbr s PHE 109 CO 0.13 0.04 -0.22 0.08 0.70 0.00 0.00 175.22 175.96 3mbr s VAL 110 N -1.19 1.95 0.11 -0.44 1.01 0.17 -0.74 120.40 121.27 3mbr s VAL 110 Ca -0.02 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.08 3mbr s VAL 110 Cb -0.10 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 3mbr s VAL 110 CO 0.02 0.53 0.01 -0.31 0.00 0.00 0.00 175.10 175.35 3mbr s TYR 111 N 0.63 2.97 0.04 5.22 1.51 0.40 0.08 117.35 128.19 3mbr s TYR 111 Ca -0.12 -0.05 -0.30 0.00 -1.01 0.00 0.00 57.07 55.58 3mbr s TYR 111 Cb -0.16 -1.50 -0.06 0.00 -0.11 0.00 0.00 41.96 40.12 3mbr s TYR 111 CO 0.03 0.49 1.44 0.34 -1.11 0.00 0.00 175.55 176.73 3mbr s ASP 112 N -2.48 6.81 0.12 2.29 2.15 -0.06 -1.10 116.67 124.40 3mbr s ASP 112 Ca 0.26 2.21 -0.19 0.00 0.43 0.00 0.00 52.55 55.26 3mbr s ASP 112 Cb -0.11 -2.57 -0.07 0.00 -0.30 0.00 0.00 42.92 39.88 3mbr s ASP 112 CO 0.19 -0.73 1.77 -0.07 -0.17 0.00 0.00 175.17 176.16 3mbr h LEU 113 N 8.04 0.24 -0.26 -1.34 3.38 -1.37 0.48 115.31 124.48 3mbr h LEU 113 Ca -0.39 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.58 3mbr h LEU 113 Cb 1.19 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 3mbr h LEU 113 CO 0.90 0.18 0.14 0.00 0.09 0.00 0.00 178.44 179.75 3mbr h ALA 114 N 1.07 0.32 -0.01 1.53 0.00 -1.92 -3.11 119.26 117.14 3mbr h ALA 114 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3mbr h ALA 114 Cb -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3mbr h ALA 114 CO -0.02 -0.26 -0.53 0.25 0.00 0.00 0.00 179.25 178.69 3mbr n THR 115 N -4.96 0.00 -4.06 0.00 -2.24 -1.22 -4.98 114.28 96.82 3mbr n THR 115 Ca -0.02 -0.09 -0.31 0.00 -2.27 0.00 0.00 64.05 61.36 3mbr n THR 115 Cb 0.06 0.64 -0.01 0.00 -2.10 0.00 0.00 70.33 68.92 3mbr n THR 115 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3mbr n LEU 116 N -0.98 -2.11 -4.61 3.22 4.77 0.15 -4.98 117.00 112.47 3mbr n LEU 116 Ca 0.08 -0.94 -0.34 0.00 -0.03 0.00 0.00 56.01 54.77 3mbr n LEU 116 Cb 0.36 -2.27 -0.11 0.00 -2.33 0.00 0.00 43.42 39.08 3mbr n LEU 116 CO 0.33 0.38 -0.34 0.42 -1.33 0.00 0.00 177.39 176.85 3mbr s THR 117 N -3.48 4.04 0.29 -5.08 -4.23 -1.21 -4.67 115.64 101.30 3mbr s THR 117 Ca 0.50 -0.34 -0.29 0.00 -1.18 0.00 0.00 61.69 60.38 3mbr s THR 117 Cb -0.27 -2.71 -0.10 0.00 1.34 0.00 0.00 72.50 70.77 3mbr s THR 117 CO 0.89 0.57 1.36 -2.16 -0.54 0.00 0.00 174.62 174.74 3mbr s PRO 118 N -0.52 4.32 0.00 3.99 0.04 -1.26 -0.88 135.00 140.69 3mbr s PRO 118 Ca 0.08 2.23 0.00 0.00 0.04 0.00 0.00 61.00 63.36 3mbr s PRO 118 Cb -0.12 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.32 3mbr s PRO 118 CO 0.02 -0.29 0.00 0.54 0.04 0.00 0.00 177.00 177.32 3mbr n ARG 119 N 1.56 1.86 -3.78 4.56 5.12 0.11 -4.86 116.66 121.23 3mbr n ARG 119 Ca 0.03 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.86 3mbr n ARG 119 Cb 0.41 -0.93 -0.03 0.00 -1.16 0.00 0.00 32.46 30.75 3mbr n ARG 119 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3mbr s ALA 120 N -1.77 -1.02 0.07 7.54 0.00 -0.83 -4.99 121.76 120.76 3mbr s ALA 120 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.70 3mbr s ALA 120 Cb 0.00 0.89 -0.04 0.00 0.00 0.00 0.00 23.12 23.97 3mbr s ALA 120 CO 0.00 -0.89 -0.04 -0.98 0.00 0.00 0.00 175.76 173.84 3mbr s ARG 121 N -3.90 0.67 0.20 0.00 1.70 -1.26 -0.66 118.95 115.70 3mbr s ARG 121 Ca 0.11 -1.21 -0.13 0.00 -0.47 0.00 0.00 55.73 54.03 3mbr s ARG 121 Cb -0.03 0.03 0.01 0.00 -0.57 0.00 0.00 34.95 34.39 3mbr s ARG 121 CO 0.01 -0.07 0.42 -0.59 -1.08 0.00 0.00 175.30 174.00 3mbr s PHE 122 N -3.56 0.21 0.05 5.89 -0.12 -0.35 -4.96 117.98 115.14 3mbr s PHE 122 Ca 0.07 -0.56 0.06 0.00 -0.05 0.00 0.00 56.93 56.44 3mbr s PHE 122 Cb 0.05 0.17 -0.02 0.00 -0.63 0.00 0.00 43.02 42.58 3mbr s PHE 122 CO -0.07 -0.86 -0.17 1.03 -0.05 0.00 0.00 175.22 175.10 3mbr s ARG 123 N -3.95 1.10 0.04 1.99 0.52 -1.26 -0.23 118.95 117.15 3mbr s ARG 123 Ca 0.16 -0.88 -0.03 0.00 -0.52 0.00 0.00 55.73 54.46 3mbr s ARG 123 Cb 0.01 -1.17 -0.02 0.00 0.52 0.00 0.00 34.95 34.29 3mbr s ARG 123 CO 0.01 0.29 0.04 1.52 0.02 0.00 0.00 175.30 177.18 3mbr s TYR 124 N -0.90 0.29 0.32 -0.53 -0.85 0.96 -4.96 117.35 111.68 3mbr s TYR 124 Ca 0.04 -0.64 -0.28 0.00 -0.52 0.00 0.00 57.07 55.67 3mbr s TYR 124 Cb -0.09 -0.21 -0.10 0.00 0.38 0.00 0.00 41.96 41.95 3mbr s TYR 124 CO 0.02 -0.32 1.17 -1.25 -1.52 0.00 0.00 175.55 173.65 3mbr s PRO 125 N -2.61 4.43 1.61 -3.49 0.04 -1.26 -4.73 135.00 128.99 3mbr s PRO 125 Ca -0.05 1.92 0.00 0.00 0.04 0.00 0.00 61.00 62.91 3mbr s PRO 125 Cb -0.01 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.50 3mbr s PRO 125 CO -0.05 -0.02 0.00 0.41 0.04 0.00 0.00 177.00 177.38 3mbr n GLY 126 N 0.93 -1.51 3.90 0.56 0.00 -1.26 -4.94 105.19 102.88 3mbr n GLY 126 Ca 0.00 -1.45 -0.32 0.00 0.00 0.00 0.00 46.02 44.26 3mbr n GLY 126 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mbr s GLU 127 N 0.00 3.39 -0.25 1.61 2.02 -1.26 -4.46 118.70 119.74 3mbr s GLU 127 Ca 0.00 -0.43 -0.07 0.00 0.02 0.00 0.00 54.97 54.49 3mbr s GLU 127 Cb 0.00 -3.03 -0.02 0.00 0.10 0.00 0.00 34.13 31.18 3mbr s GLU 127 CO 0.00 0.63 0.05 0.20 0.02 0.00 0.00 175.26 176.16 3mbr s GLY 128 N -2.32 1.74 -0.06 -1.39 0.00 -0.97 -4.41 107.32 99.90 3mbr s GLY 128 Ca 0.32 -1.15 -0.09 0.00 0.00 0.00 0.00 44.72 43.80 3mbr s GLY 128 CO 0.25 0.52 -0.17 0.79 0.00 0.00 0.00 173.10 174.49 3mbr n TRP 129 N 4.90 0.00 -3.93 1.90 7.02 -0.54 -4.03 117.44 122.76 3mbr n TRP 129 Ca -0.16 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.23 3mbr n TRP 129 Cb 0.51 -0.25 -0.08 0.00 -2.42 0.00 0.00 31.31 29.08 3mbr n TRP 129 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3mbr s ALA 130 N -2.59 -0.00 0.04 6.99 0.00 -1.07 -1.53 121.76 123.59 3mbr s ALA 130 Ca -0.14 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.00 3mbr s ALA 130 Cb 0.02 0.60 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 3mbr s ALA 130 CO 0.21 -0.53 -0.05 -0.51 0.00 0.00 0.00 175.76 174.89 3mbr s LEU 131 N -2.91 2.31 0.00 0.00 1.43 -1.26 -0.89 118.68 117.35 3mbr s LEU 131 Ca 0.10 -0.64 -0.00 0.00 -1.03 0.00 0.00 54.13 52.56 3mbr s LEU 131 Cb 0.05 0.03 0.00 0.00 0.03 0.00 0.00 46.19 46.30 3mbr s LEU 131 CO -0.07 -0.33 0.04 1.07 0.23 0.00 0.00 176.35 177.29 3mbr n THR 132 N 1.18 0.00 -3.66 5.49 5.66 -0.19 -4.55 114.28 118.21 3mbr n THR 132 Ca -0.21 -0.11 -0.13 0.00 -3.05 0.00 0.00 64.05 60.55 3mbr n THR 132 Cb 0.56 0.07 -0.06 0.00 -1.55 0.00 0.00 70.33 69.35 3mbr n THR 132 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3mbr s SER 133 N -1.15 -0.30 0.00 1.09 1.04 -1.26 -0.72 113.70 112.40 3mbr s SER 133 Ca 0.02 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.49 3mbr s SER 133 Cb -0.00 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.54 3mbr s SER 133 CO 0.01 -0.65 0.00 -0.90 0.98 0.00 0.00 173.24 172.69 3mbr n ASP 134 N 0.57 0.08 -0.27 7.02 5.68 -0.52 -4.54 116.55 124.58 3mbr n ASP 134 Ca -0.19 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.23 3mbr n ASP 134 Cb 0.59 0.00 0.59 0.00 -1.14 0.00 0.00 41.12 41.17 3mbr n ASP 134 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3mbr n ASP 135 N 0.00 0.81 0.00 -1.12 3.85 -1.26 -4.34 116.55 114.49 3mbr n ASP 135 Ca 0.00 -1.42 0.00 0.00 -0.71 0.00 0.00 54.79 52.66 3mbr n ASP 135 Cb 0.00 -0.03 0.00 0.00 -1.35 0.00 0.00 41.12 39.74 3mbr n ASP 135 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3mbr n SER 136 N -0.31 1.59 -4.11 -1.12 7.64 -1.26 -5.13 113.62 110.94 3mbr n SER 136 Ca 0.18 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.98 3mbr n SER 136 Cb 0.22 0.20 -0.10 0.00 -1.01 0.00 0.00 64.21 63.52 3mbr n SER 136 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3mbr s HIS 137 N -1.15 0.62 0.22 1.43 3.76 -1.26 -4.47 115.29 114.45 3mbr s HIS 137 Ca 0.00 -0.96 -0.00 0.00 -0.15 0.00 0.00 55.06 53.95 3mbr s HIS 137 Cb 0.00 -0.41 -0.04 0.00 1.11 0.00 0.00 32.58 33.23 3mbr s HIS 137 CO 0.00 -0.28 0.40 -0.51 -0.85 0.00 0.00 174.74 173.50 3mbr s LEU 138 N -2.80 4.21 -0.11 0.89 1.43 -0.51 -1.44 118.68 120.35 3mbr s LEU 138 Ca 0.06 0.39 0.02 0.00 -1.03 0.00 0.00 54.13 53.57 3mbr s LEU 138 Cb 0.05 -3.17 0.01 0.00 0.03 0.00 0.00 46.19 43.12 3mbr s LEU 138 CO -0.07 -0.07 -0.16 -0.31 0.23 0.00 0.00 176.35 175.97 3mbr s TYR 139 N -1.92 2.04 -0.09 0.29 1.51 0.10 -0.49 117.35 118.80 3mbr s TYR 139 Ca 0.38 -0.97 0.04 0.00 -1.01 0.00 0.00 57.07 55.52 3mbr s TYR 139 Cb -0.11 -1.46 -0.00 0.00 -0.11 0.00 0.00 41.96 40.28 3mbr s TYR 139 CO 0.30 -0.49 -0.23 1.41 -1.11 0.00 0.00 175.55 175.42 3mbr s MET 140 N 0.97 2.78 0.05 -0.62 1.75 0.39 -1.02 119.30 123.61 3mbr s MET 140 Ca -0.07 -0.84 -0.14 0.00 -1.25 0.00 0.00 55.69 53.39 3mbr s MET 140 Cb -0.15 -2.17 -0.06 0.00 2.84 0.00 0.00 34.83 35.29 3mbr s MET 140 CO -0.02 0.22 0.45 0.45 -0.65 0.00 0.00 175.02 175.47 3mbr s SER 141 N 0.23 6.79 -0.06 1.11 0.15 -0.07 -0.99 113.70 120.86 3mbr s SER 141 Ca -0.14 0.97 0.09 0.00 0.70 0.00 0.00 55.95 57.56 3mbr s SER 141 Cb -0.17 -2.25 0.13 0.00 -1.71 0.00 0.00 66.02 62.03 3mbr s SER 141 CO 0.07 0.24 1.05 -0.90 1.20 0.00 0.00 173.24 174.90 3mbr n ASP 142 N 1.38 1.16 0.00 5.45 5.68 -1.26 -1.47 116.55 127.49 3mbr n ASP 142 Ca -0.10 -2.46 0.00 0.00 -0.50 0.00 0.00 54.79 51.73 3mbr n ASP 142 Cb 0.52 -0.29 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 3mbr n ASP 142 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3mbr n GLY 143 N -0.68 2.31 3.59 6.12 0.00 -1.26 -4.47 105.19 110.79 3mbr n GLY 143 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 3mbr n GLY 143 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mbr n THR 144 N -2.00 0.00 1.60 2.61 -2.24 -1.26 -0.63 114.28 112.36 3mbr n THR 144 Ca 0.00 -1.50 0.15 0.00 -2.27 0.00 0.00 64.05 60.42 3mbr n THR 144 Cb 0.00 -0.87 0.66 0.00 -2.10 0.00 0.00 70.33 68.02 3mbr n THR 144 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mbr n ALA 145 N -2.84 2.69 -2.93 6.98 0.00 -1.26 -4.29 120.51 118.87 3mbr n ALA 145 Ca -0.15 -0.32 -0.41 0.00 0.00 0.00 0.00 53.44 52.56 3mbr n ALA 145 Cb 0.55 -1.32 -0.10 0.00 0.00 0.00 0.00 19.45 18.58 3mbr n ALA 145 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3mbr s VAL 146 N -2.18 4.59 0.01 0.00 1.01 -1.26 -1.20 120.40 121.38 3mbr s VAL 146 Ca 0.37 -1.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 3mbr s VAL 146 Cb 0.21 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 3mbr s VAL 146 CO 0.40 -0.36 0.98 -0.63 0.00 0.00 0.00 175.10 175.49 3mbr s ILE 147 N 1.53 4.83 0.05 2.22 1.01 0.21 -4.62 121.20 126.44 3mbr s ILE 147 Ca 0.03 2.06 -0.22 0.00 0.00 0.00 0.00 60.65 62.52 3mbr s ILE 147 Cb -0.21 -4.32 -0.06 0.00 0.01 0.00 0.00 42.46 37.88 3mbr s ILE 147 CO 0.06 0.18 0.65 -0.13 0.00 0.00 0.00 174.94 175.69 3mbr s ARG 148 N 0.91 4.36 -0.23 2.79 0.52 -0.16 -0.72 118.95 126.41 3mbr s ARG 148 Ca 0.51 0.87 -0.08 0.00 -0.52 0.00 0.00 55.73 56.51 3mbr s ARG 148 Cb -0.21 -3.30 -0.04 0.00 0.52 0.00 0.00 34.95 31.92 3mbr s ARG 148 CO 0.28 0.46 0.08 0.21 0.02 0.00 0.00 175.30 176.35 3mbr s LYS 149 N -0.57 3.79 0.05 3.54 2.20 -0.49 -0.46 119.74 127.80 3mbr s LYS 149 Ca 0.33 -0.42 0.08 0.00 -0.36 0.00 0.00 55.97 55.60 3mbr s LYS 149 Cb -0.20 -3.31 -0.03 0.00 -1.51 0.00 0.00 37.83 32.78 3mbr s LYS 149 CO 0.20 -0.02 -0.21 -0.51 -0.36 0.00 0.00 175.35 174.46 3mbr s LEU 150 N 1.17 2.49 0.02 5.43 1.43 0.35 -0.41 118.68 129.17 3mbr s LEU 150 Ca 0.05 -0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 52.35 3mbr s LEU 150 Cb -0.14 -1.44 -0.06 0.00 0.03 0.00 0.00 46.19 44.58 3mbr s LEU 150 CO 0.04 0.25 1.33 -0.62 0.23 0.00 0.00 176.35 177.57 3mbr s ASP 151 N -1.46 6.92 0.29 2.29 -1.08 0.38 -1.42 116.67 122.58 3mbr s ASP 151 Ca 0.14 2.09 -0.00 0.00 -0.52 0.00 0.00 52.55 54.26 3mbr s ASP 151 Cb -0.10 -2.57 0.43 0.00 -1.46 0.00 0.00 42.92 39.22 3mbr s ASP 151 CO 0.05 -0.64 1.82 -0.65 0.52 0.00 0.00 175.17 176.27 3mbr h PRO 152 N 7.39 0.75 -0.01 4.34 0.11 -1.90 0.31 132.00 142.98 3mbr h PRO 152 Ca -0.39 -0.16 -0.25 0.00 0.11 0.00 0.00 66.00 65.31 3mbr h PRO 152 Cb 1.19 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 32.21 3mbr h PRO 152 CO 0.87 0.71 -0.98 -0.44 -0.21 0.00 0.00 178.00 177.95 3mbr h ASP 153 N 0.71 0.76 0.00 -2.05 3.45 -1.94 -3.33 116.42 114.03 3mbr h ASP 153 Ca 0.15 -0.60 0.00 0.00 0.43 0.00 0.00 57.03 57.01 3mbr h ASP 153 Cb 0.34 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 38.87 3mbr h ASP 153 CO 0.01 1.40 -1.18 0.35 -1.57 0.00 0.00 179.24 178.24 3mbr n THR 154 N -3.82 0.00 -1.06 0.35 -2.24 -1.21 -4.96 114.28 101.34 3mbr n THR 154 Ca -0.09 -0.16 -0.02 0.00 -2.27 0.00 0.00 64.05 61.51 3mbr n THR 154 Cb 0.85 0.73 -0.01 0.00 -2.10 0.00 0.00 70.33 69.80 3mbr n THR 154 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3mbr n LEU 155 N -1.66 0.58 -4.77 3.22 4.77 0.11 -4.98 117.00 114.27 3mbr n LEU 155 Ca 0.02 0.05 -0.38 0.00 -0.03 0.00 0.00 56.01 55.67 3mbr n LEU 155 Cb 0.36 -2.19 -0.05 0.00 -2.33 0.00 0.00 43.42 39.21 3mbr n LEU 155 CO 0.39 -0.84 0.73 -1.10 -1.33 0.00 0.00 177.39 175.25 3mbr s GLN 156 N -1.87 4.43 0.05 3.23 -0.21 -1.25 -4.66 119.66 119.38 3mbr s GLN 156 Ca 0.00 1.58 -0.31 0.00 0.02 0.00 0.00 55.36 56.65 3mbr s GLN 156 Cb 0.00 -2.84 -0.06 0.00 1.00 0.00 0.00 33.01 31.11 3mbr s GLN 156 CO 0.00 0.08 1.28 -1.14 -2.12 0.00 0.00 175.29 173.40 3mbr s GLN 157 N -1.99 4.37 0.00 2.91 0.74 -1.26 -0.47 119.66 123.95 3mbr s GLN 157 Ca 0.51 1.87 0.01 0.00 0.05 0.00 0.00 55.36 57.79 3mbr s GLN 157 Cb -0.25 -3.40 0.00 0.00 1.10 0.00 0.00 33.01 30.46 3mbr s GLN 157 CO 0.32 -0.39 0.41 1.33 -0.55 0.00 0.00 175.29 176.41 3mbr n VAL 158 N 4.17 0.00 -4.02 1.34 0.24 0.46 -4.92 118.33 115.60 3mbr n VAL 158 Ca 0.11 -0.50 0.03 0.00 -2.04 0.00 0.00 64.34 61.94 3mbr n VAL 158 Cb 0.45 1.01 0.01 0.00 -1.47 0.00 0.00 33.84 33.84 3mbr n VAL 158 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3mbr s GLY 159 N -0.28 -0.14 0.23 7.63 0.00 -1.09 -5.00 107.32 108.68 3mbr s GLY 159 Ca 0.01 0.03 -0.15 0.00 0.00 0.00 0.00 44.72 44.62 3mbr s GLY 159 CO 0.01 6.18 0.50 -1.35 0.00 0.00 0.00 173.10 178.45 3mbr s SER 160 N -3.88 -0.14 -0.08 1.64 1.04 -1.26 -1.40 113.70 109.62 3mbr s SER 160 Ca 0.31 -0.78 -0.00 0.00 0.48 0.00 0.00 55.95 55.95 3mbr s SER 160 Cb -0.01 0.59 0.03 0.00 0.10 0.00 0.00 66.02 66.73 3mbr s SER 160 CO -0.01 -1.12 -0.03 -0.63 0.98 0.00 0.00 173.24 172.42 3mbr s ILE 161 N -3.97 0.63 -0.31 -1.02 1.01 0.10 -4.92 121.20 112.72 3mbr s ILE 161 Ca 0.17 -0.07 -0.20 0.00 0.00 0.00 0.00 60.65 60.56 3mbr s ILE 161 Cb -0.01 -0.71 -0.01 0.00 0.01 0.00 0.00 42.46 41.74 3mbr s ILE 161 CO 0.05 0.29 0.60 -0.75 0.00 0.00 0.00 174.94 175.13 3mbr s LYS 162 N 1.65 3.86 -0.09 2.79 2.36 -1.26 -0.62 119.74 128.44 3mbr s LYS 162 Ca 0.01 0.22 -0.21 0.00 -2.55 0.00 0.00 55.97 53.44 3mbr s LYS 162 Cb -0.13 -3.74 -0.04 0.00 -1.05 0.00 0.00 37.83 32.88 3mbr s LYS 162 CO -0.05 -0.57 0.59 0.08 1.55 0.00 0.00 175.35 176.95 3mbr s VAL 163 N 2.55 5.10 0.05 4.02 1.01 -0.34 -4.41 120.40 128.40 3mbr s VAL 163 Ca 0.24 1.20 0.04 0.00 0.00 0.00 0.00 61.98 63.46 3mbr s VAL 163 Cb -0.15 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 3mbr s VAL 163 CO 0.12 0.30 -0.12 0.42 0.00 0.00 0.00 175.10 175.82 3mbr s THR 164 N 0.64 0.94 -0.18 3.92 -4.23 -0.51 -1.94 115.64 114.28 3mbr s THR 164 Ca 0.32 -1.13 0.00 0.00 -1.18 0.00 0.00 61.69 59.70 3mbr s THR 164 Cb -0.17 -0.91 0.04 0.00 1.34 0.00 0.00 72.50 72.80 3mbr s THR 164 CO 0.14 -0.19 -0.10 0.00 -0.54 0.00 0.00 174.62 173.93 3mbr s ALA 165 N -1.15 1.85 -1.27 3.99 0.00 -0.33 -0.79 121.76 124.08 3mbr s ALA 165 Ca -0.03 -1.06 -0.06 0.00 0.00 0.00 0.00 51.96 50.80 3mbr s ALA 165 Cb -0.09 -1.20 0.04 0.00 0.00 0.00 0.00 23.12 21.87 3mbr s ALA 165 CO 0.01 -0.73 0.39 0.41 0.00 0.00 0.00 175.76 175.85 3mbr n GLY 166 N 4.74 -0.49 1.70 0.00 0.00 -1.26 -1.65 105.19 108.23 3mbr n GLY 166 Ca -0.14 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3mbr n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mbr n GLY 167 N -1.14 1.97 3.73 -0.02 0.00 -1.26 -5.05 105.19 103.42 3mbr n GLY 167 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 3mbr n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mbr s ARG 168 N -0.47 4.36 0.25 1.61 0.52 -0.66 -5.00 118.95 119.56 3mbr s ARG 168 Ca 0.00 0.64 -0.31 0.00 -0.52 0.00 0.00 55.73 55.54 3mbr s ARG 168 Cb 0.00 -3.42 -0.13 0.00 0.52 0.00 0.00 34.95 31.92 3mbr s ARG 168 CO 0.00 0.18 1.35 -2.30 0.02 0.00 0.00 175.30 174.56 3mbr n PRO 169 N 3.48 1.97 -3.85 3.54 -0.02 -1.26 -1.18 135.00 137.67 3mbr n PRO 169 Ca -0.05 0.70 -0.36 0.00 -2.02 0.00 0.00 63.50 61.76 3mbr n PRO 169 Cb 0.51 -2.32 -0.13 0.00 -0.02 0.00 0.00 33.50 31.54 3mbr n PRO 169 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3mbr s LEU 170 N -0.04 3.87 0.00 2.45 2.96 -0.82 -4.83 118.68 122.27 3mbr s LEU 170 Ca 0.66 -1.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.50 3mbr s LEU 170 Cb -0.65 -1.77 0.01 0.00 0.50 0.00 0.00 46.19 44.27 3mbr s LEU 170 CO 0.52 -0.24 0.05 -0.90 -1.32 0.00 0.00 176.35 174.46 3mbr n ASP 171 N 4.72 1.96 -3.31 3.68 3.85 -1.26 -4.03 116.55 122.16 3mbr n ASP 171 Ca -0.14 -1.54 -0.17 0.00 -0.71 0.00 0.00 54.79 52.23 3mbr n ASP 171 Cb 0.45 0.05 0.07 0.00 -1.35 0.00 0.00 41.12 40.33 3mbr n ASP 171 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 3mbr n ASN 172 N -1.47 -6.32 -4.25 -1.12 3.02 0.20 -4.93 115.26 100.39 3mbr n ASN 172 Ca -0.03 -0.75 -0.43 0.00 -0.03 0.00 0.00 54.58 53.34 3mbr n ASN 172 Cb 0.16 -4.99 -0.06 0.00 -0.61 0.00 0.00 39.78 34.29 3mbr n ASN 172 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3mbr s LEU 173 N -5.56 6.08 0.00 3.41 1.43 -1.26 -4.12 118.68 118.66 3mbr s LEU 173 Ca 0.45 -2.41 0.27 0.00 -1.03 0.00 0.00 54.13 51.40 3mbr s LEU 173 Cb -0.07 -2.08 0.85 0.00 0.03 0.00 0.00 46.19 44.91 3mbr s LEU 173 CO 0.75 -0.60 1.63 -0.46 0.23 0.00 0.00 176.35 177.91 3mbr n ASN 174 N 4.27 0.61 -3.66 2.29 6.94 -0.95 -4.59 115.26 120.18 3mbr n ASN 174 Ca 0.03 -0.46 -0.15 0.00 -0.02 0.00 0.00 54.58 53.98 3mbr n ASN 174 Cb 0.42 0.05 -0.08 0.00 -2.36 0.00 0.00 39.78 37.82 3mbr n ASN 174 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 3mbr s GLU 175 N -2.70 0.78 0.16 -3.83 2.56 -1.26 -4.56 118.70 109.85 3mbr s GLU 175 Ca 0.20 0.32 0.07 0.00 0.00 0.00 0.00 54.97 55.56 3mbr s GLU 175 Cb 0.19 0.37 -0.04 0.00 2.00 0.00 0.00 34.13 36.64 3mbr s GLU 175 CO 0.57 -0.19 -0.15 -0.51 -0.56 0.00 0.00 175.26 174.41 3mbr s LEU 176 N -0.66 2.47 -0.24 2.70 1.43 -1.26 -0.47 118.68 122.64 3mbr s LEU 176 Ca -0.08 -0.90 -0.17 0.00 -1.03 0.00 0.00 54.13 51.95 3mbr s LEU 176 Cb -0.03 -0.67 0.07 0.00 0.03 0.00 0.00 46.19 45.59 3mbr s LEU 176 CO 0.05 -0.12 0.62 -0.70 0.23 0.00 0.00 176.35 176.42 3mbr s GLU 177 N -3.06 0.66 -0.14 1.70 2.56 -0.12 -4.68 118.70 115.63 3mbr s GLU 177 Ca 0.16 1.01 -0.26 0.00 0.00 0.00 0.00 54.97 55.88 3mbr s GLU 177 Cb -0.04 0.20 -0.02 0.00 2.00 0.00 0.00 34.13 36.27 3mbr s GLU 177 CO 0.05 -0.13 0.84 -0.46 -0.56 0.00 0.00 175.26 175.00 3mbr s TRP 178 N 1.08 3.47 -0.13 5.30 -0.11 -1.26 -0.53 118.94 126.75 3mbr s TRP 178 Ca -0.06 1.31 -0.04 0.00 1.22 0.00 0.00 56.10 58.54 3mbr s TRP 178 Cb -0.05 -3.00 0.05 0.00 -1.50 0.00 0.00 33.47 28.96 3mbr s TRP 178 CO -0.10 -0.17 0.06 0.08 -4.62 0.00 0.00 176.95 172.20 3mbr s VAL 179 N 1.85 0.06 -1.39 5.86 1.01 0.21 -4.84 120.40 123.16 3mbr s VAL 179 Ca 0.40 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.30 3mbr s VAL 179 Cb -0.17 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.66 3mbr s VAL 179 CO 0.15 -0.11 0.42 0.59 0.00 0.00 0.00 175.10 176.15 3mbr n ASN 180 N 5.23 -0.53 0.00 3.32 5.03 -1.26 -1.50 115.26 125.55 3mbr n ASN 180 Ca -0.06 -1.02 0.00 0.00 0.87 0.00 0.00 54.58 54.37 3mbr n ASN 180 Cb 0.49 -3.00 0.00 0.00 -1.02 0.00 0.00 39.78 36.25 3mbr n ASN 180 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3mbr n GLY 181 N -1.99 0.72 3.32 7.41 0.00 -1.26 -5.01 105.19 108.38 3mbr n GLY 181 Ca -0.30 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.54 3mbr n GLY 181 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mbr s GLU 182 N -0.15 1.26 -0.25 1.61 2.02 -0.56 -4.49 118.70 118.14 3mbr s GLU 182 Ca 0.00 -1.52 -0.10 0.00 0.02 0.00 0.00 54.97 53.38 3mbr s GLU 182 Cb 0.00 -1.06 -0.05 0.00 0.10 0.00 0.00 34.13 33.12 3mbr s GLU 182 CO 0.00 0.18 0.14 -1.17 0.02 0.00 0.00 175.26 174.43 3mbr s LEU 183 N -3.14 3.93 -0.07 1.80 2.96 -0.58 -0.62 118.68 122.96 3mbr s LEU 183 Ca 0.20 0.01 -0.13 0.00 -0.22 0.00 0.00 54.13 53.99 3mbr s LEU 183 Cb -0.01 -2.06 -0.05 0.00 0.50 0.00 0.00 46.19 44.57 3mbr s LEU 183 CO 0.06 0.02 0.33 -0.76 -1.32 0.00 0.00 176.35 174.67 3mbr s LEU 184 N 1.31 4.38 -0.04 -0.68 1.43 0.31 -0.20 118.68 125.19 3mbr s LEU 184 Ca 0.07 0.73 0.00 0.00 -1.03 0.00 0.00 54.13 53.90 3mbr s LEU 184 Cb -0.14 -2.43 0.03 0.00 0.03 0.00 0.00 46.19 43.67 3mbr s LEU 184 CO 0.06 0.26 -0.01 0.00 0.23 0.00 0.00 176.35 176.90 3mbr s ALA 185 N -0.55 0.46 0.19 4.21 0.00 -0.44 -0.94 121.76 124.68 3mbr s ALA 185 Ca 0.20 0.07 -0.30 0.00 0.00 0.00 0.00 51.96 51.93 3mbr s ALA 185 Cb -0.15 -0.43 -0.08 0.00 0.00 0.00 0.00 23.12 22.47 3mbr s ALA 185 CO 0.09 -0.14 1.07 1.21 0.00 0.00 0.00 175.76 177.98 3mbr s ASN 186 N 1.20 7.34 -0.62 0.00 2.47 0.38 -0.58 114.94 125.13 3mbr s ASN 186 Ca -0.07 2.07 0.01 0.00 0.42 0.00 0.00 52.86 55.29 3mbr s ASN 186 Cb -0.13 -2.61 0.16 0.00 -1.45 0.00 0.00 41.25 37.22 3mbr s ASN 186 CO -0.02 -0.15 0.41 -0.69 -3.72 0.00 0.00 177.10 172.94 3mbr s VAL 187 N -0.46 3.26 0.53 -5.21 1.01 0.19 -2.23 120.40 117.49 3mbr s VAL 187 Ca 0.47 -3.36 0.20 0.00 0.00 0.00 0.00 61.98 59.30 3mbr s VAL 187 Cb -0.29 -3.16 0.29 0.00 0.00 0.00 0.00 36.38 33.23 3mbr s VAL 187 CO 0.35 -0.89 2.17 4.11 0.00 0.00 0.00 175.10 180.84 3mbr h TRP 188 N 6.52 0.00 -0.00 5.22 5.08 -1.81 0.08 115.95 131.04 3mbr h TRP 188 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3mbr h TRP 188 Cb 0.89 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.05 3mbr h TRP 188 CO 0.64 0.02 -0.00 1.47 -1.28 0.00 0.00 178.44 179.28 3mbr n LEU 189 N -4.30 0.00 -0.17 0.11 -0.00 -1.26 -3.11 117.00 108.27 3mbr n LEU 189 Ca -0.03 0.44 0.02 0.00 -0.00 0.00 0.00 56.01 56.44 3mbr n LEU 189 Cb 0.10 -0.44 0.03 0.00 -0.00 0.00 0.00 43.42 43.11 3mbr n LEU 189 CO 0.32 0.00 0.37 1.07 -0.00 0.00 0.00 177.39 179.15 3mbr n THR 190 N -1.44 0.24 -1.36 1.47 5.66 -0.43 -5.02 114.28 113.40 3mbr n THR 190 Ca 0.09 -0.62 -0.13 0.00 -3.05 0.00 0.00 64.05 60.34 3mbr n THR 190 Cb 0.31 0.94 -0.05 0.00 -1.55 0.00 0.00 70.33 69.98 3mbr n THR 190 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 3mbr n SER 191 N 0.13 -5.10 -4.68 1.09 7.64 -0.11 -4.95 113.62 107.65 3mbr n SER 191 Ca 0.03 0.31 -0.30 0.00 1.01 0.00 0.00 58.87 59.91 3mbr n SER 191 Cb 0.15 -3.70 -0.08 0.00 -1.01 0.00 0.00 64.21 59.57 3mbr n SER 191 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3mbr s ARG 192 N -2.96 2.55 -0.15 1.43 0.52 -1.18 -1.66 118.95 117.51 3mbr s ARG 192 Ca 0.00 -0.82 -0.06 0.00 -0.52 0.00 0.00 55.73 54.33 3mbr s ARG 192 Cb 0.00 -2.54 -0.04 0.00 0.52 0.00 0.00 34.95 32.89 3mbr s ARG 192 CO 0.00 0.55 0.07 0.42 0.02 0.00 0.00 175.30 176.36 3mbr s ILE 193 N -1.27 4.85 -0.10 1.52 1.01 0.56 -0.63 121.20 127.15 3mbr s ILE 193 Ca 0.24 -0.02 -0.19 0.00 0.00 0.00 0.00 60.65 60.68 3mbr s ILE 193 Cb -0.12 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 3mbr s ILE 193 CO 0.17 0.53 0.50 0.00 0.00 0.00 0.00 174.94 176.13 3mbr s ALA 194 N -0.20 3.47 -0.28 9.38 0.00 0.26 -0.26 121.76 134.13 3mbr s ALA 194 Ca 0.08 -0.15 -0.16 0.00 0.00 0.00 0.00 51.96 51.73 3mbr s ALA 194 Cb -0.12 -2.67 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 3mbr s ALA 194 CO 0.01 0.02 0.44 1.03 0.00 0.00 0.00 175.76 177.26 3mbr s ARG 195 N 0.53 3.99 -0.14 0.00 0.52 -0.19 -1.33 118.95 122.33 3mbr s ARG 195 Ca 0.27 0.12 -0.03 0.00 -0.52 0.00 0.00 55.73 55.58 3mbr s ARG 195 Cb -0.16 -3.67 -0.03 0.00 0.52 0.00 0.00 34.95 31.62 3mbr s ARG 195 CO 0.11 -0.35 -0.05 0.42 0.02 0.00 0.00 175.30 175.46 3mbr s ILE 196 N 2.20 3.80 -0.39 1.52 1.01 0.72 -0.24 121.20 129.82 3mbr s ILE 196 Ca 0.18 -0.40 -0.29 0.00 0.00 0.00 0.00 60.65 60.14 3mbr s ILE 196 Cb -0.16 -2.64 0.02 0.00 0.01 0.00 0.00 42.46 39.68 3mbr s ILE 196 CO 0.10 0.51 1.24 -0.62 0.00 0.00 0.00 174.94 176.17 3mbr s ASP 197 N 0.21 6.62 0.53 3.58 -1.08 -0.30 -1.52 116.67 124.71 3mbr s ASP 197 Ca -0.03 0.84 0.32 0.00 -0.52 0.00 0.00 52.55 53.16 3mbr s ASP 197 Cb -0.14 -2.54 1.23 0.00 -1.46 0.00 0.00 42.92 40.00 3mbr s ASP 197 CO 0.03 -1.19 1.93 1.55 0.52 0.00 0.00 175.17 178.02 3mbr h PRO 198 N 9.40 0.00 -0.12 4.34 0.13 -1.89 0.14 132.00 144.00 3mbr h PRO 198 Ca -0.24 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.79 3mbr h PRO 198 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3mbr h PRO 198 CO 1.08 0.01 -0.34 0.00 -0.23 0.00 0.00 178.00 178.52 3mbr h ALA 199 N 1.99 1.19 0.00 -0.56 0.00 -1.92 -3.34 119.26 116.63 3mbr h ALA 199 Ca -0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3mbr h ALA 199 Cb 0.58 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3mbr h ALA 199 CO 0.00 0.54 -1.30 -1.13 0.00 0.00 0.00 179.25 177.36 3mbr n SER 200 N -4.08 3.55 0.00 0.00 3.41 -1.10 -5.00 113.62 110.40 3mbr n SER 200 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 3mbr n SER 200 Cb 0.43 1.25 0.00 0.00 -0.26 0.00 0.00 64.21 65.63 3mbr n SER 200 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mbr n GLY 201 N 2.17 0.74 3.80 5.00 0.00 0.47 -4.86 105.19 112.52 3mbr n GLY 201 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 3mbr n GLY 201 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mbr s LYS 202 N -0.06 4.33 -0.02 1.61 1.02 -1.24 -1.42 119.74 123.96 3mbr s LYS 202 Ca 0.00 0.89 -0.30 0.00 0.02 0.00 0.00 55.97 56.58 3mbr s LYS 202 Cb 0.00 -3.24 -0.05 0.00 -0.52 0.00 0.00 37.83 34.02 3mbr s LYS 202 CO 0.00 0.62 1.34 0.08 -0.92 0.00 0.00 175.35 176.47 3mbr s VAL 203 N -1.13 3.89 -0.13 3.17 1.01 0.03 -1.15 120.40 126.10 3mbr s VAL 203 Ca 0.31 1.24 0.22 0.00 0.00 0.00 0.00 61.98 63.76 3mbr s VAL 203 Cb -0.21 -3.80 -0.18 0.00 0.00 0.00 0.00 36.38 32.19 3mbr s VAL 203 CO 0.22 -0.01 0.74 1.33 0.00 0.00 0.00 175.10 177.38 3mbr n VAL 204 N 4.69 0.30 -3.53 2.92 0.24 0.67 -4.74 118.33 118.87 3mbr n VAL 204 Ca 0.13 -0.53 -0.13 0.00 -2.04 0.00 0.00 64.34 61.77 3mbr n VAL 204 Cb 0.44 -0.16 -0.05 0.00 -1.47 0.00 0.00 33.84 32.60 3mbr n VAL 204 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3mbr s ALA 205 N -3.44 -1.83 0.07 2.33 0.00 -1.20 -4.34 121.76 113.34 3mbr s ALA 205 Ca -0.05 1.33 -0.06 0.00 0.00 0.00 0.00 51.96 53.19 3mbr s ALA 205 Cb 0.12 -0.18 -0.05 0.00 0.00 0.00 0.00 23.12 23.01 3mbr s ALA 205 CO 0.85 -0.42 0.31 -1.58 0.00 0.00 0.00 175.76 174.93 3mbr s TRP 206 N -1.60 3.54 -0.20 0.00 0.23 -0.11 -1.02 118.94 119.78 3mbr s TRP 206 Ca -0.04 0.56 -0.01 0.00 -2.03 0.00 0.00 56.10 54.58 3mbr s TRP 206 Cb -0.00 -1.99 0.01 0.00 0.03 0.00 0.00 33.47 31.52 3mbr s TRP 206 CO 0.02 0.54 -0.13 0.42 0.96 0.00 0.00 176.95 178.76 3mbr s ILE 207 N -1.45 2.62 -0.52 2.03 1.01 0.64 -0.48 121.20 125.04 3mbr s ILE 207 Ca 0.33 -0.80 -0.17 0.00 0.00 0.00 0.00 60.65 60.02 3mbr s ILE 207 Cb -0.13 -2.17 0.10 0.00 0.01 0.00 0.00 42.46 40.27 3mbr s ILE 207 CO 0.21 0.45 0.50 -0.62 0.00 0.00 0.00 174.94 175.48 3mbr s ASP 208 N 1.36 6.18 -0.24 3.58 -1.08 -1.26 -0.32 116.67 124.88 3mbr s ASP 208 Ca 0.05 -1.48 0.08 0.00 -0.52 0.00 0.00 52.55 50.68 3mbr s ASP 208 Cb -0.14 -2.22 0.59 0.00 -1.46 0.00 0.00 42.92 39.69 3mbr s ASP 208 CO -0.08 -0.82 1.55 0.18 0.52 0.00 0.00 175.17 176.51 3mbr n LEU 209 N 5.47 5.08 -0.21 -1.34 4.77 -0.66 -4.60 117.00 125.51 3mbr n LEU 209 Ca -0.12 -2.63 0.16 0.00 -0.03 0.00 0.00 56.01 53.39 3mbr n LEU 209 Cb 0.42 -0.69 0.48 0.00 -2.33 0.00 0.00 43.42 41.30 3mbr n LEU 209 CO 0.52 0.68 1.22 0.06 -1.33 0.00 0.00 177.39 178.53 3mbr h GLN 210 N 2.23 0.46 -0.27 3.23 3.07 -1.92 -0.23 115.11 121.69 3mbr h GLN 210 Ca 0.18 -0.03 0.08 0.00 0.09 0.00 0.00 58.65 58.97 3mbr h GLN 210 Cb 1.93 -0.10 -0.01 0.00 0.08 0.00 0.00 27.48 29.37 3mbr h GLN 210 CO 0.55 0.31 0.33 0.00 0.09 0.00 0.00 178.83 180.10 3mbr h ALA 211 N 1.62 1.88 0.00 0.06 0.00 -1.95 -2.68 119.26 118.19 3mbr h ALA 211 Ca 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3mbr h ALA 211 Cb 0.90 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3mbr h ALA 211 CO -0.16 -0.47 -1.31 1.28 0.00 0.00 0.00 179.25 178.60 3mbr n LEU 212 N -3.64 0.52 -4.70 0.00 4.77 -0.10 -4.90 117.00 108.96 3mbr n LEU 212 Ca 0.04 -0.08 -0.42 0.00 -0.03 0.00 0.00 56.01 55.52 3mbr n LEU 212 Cb 0.47 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 3mbr n LEU 212 CO 0.26 0.05 0.98 -0.69 -1.33 0.00 0.00 177.39 176.65 3mbr s VAL 213 N -3.27 4.02 0.35 4.08 1.01 -1.01 -4.91 120.40 120.67 3mbr s VAL 213 Ca 0.01 1.40 0.08 0.00 0.00 0.00 0.00 61.98 63.47 3mbr s VAL 213 Cb 0.14 -3.90 0.32 0.00 0.00 0.00 0.00 36.38 32.94 3mbr s VAL 213 CO 0.85 0.04 1.88 -0.65 0.00 0.00 0.00 175.10 177.21 3mbr h PRO 214 N 7.32 0.71 -1.30 2.72 0.11 -1.89 -3.34 132.00 136.34 3mbr h PRO 214 Ca -0.38 -0.04 -0.20 0.00 0.11 0.00 0.00 66.00 65.49 3mbr h PRO 214 Cb 1.18 -0.16 -0.22 0.00 0.11 0.00 0.00 31.00 31.92 3mbr h PRO 214 CO 0.86 0.47 -0.56 0.16 -0.21 0.00 0.00 178.00 178.72 3mbr s ASP 215 N -5.84 -0.76 0.53 -2.05 -4.77 -1.26 -4.97 116.67 97.56 3mbr s ASP 215 Ca -0.10 -1.53 0.24 0.00 -3.30 0.00 0.00 52.55 47.85 3mbr s ASP 215 Cb 0.22 1.46 1.46 0.00 -1.09 0.00 0.00 42.92 44.97 3mbr s ASP 215 CO 0.79 -0.14 2.13 0.00 0.70 0.00 0.00 175.17 178.66 3mbr h ALA 216 N 6.06 1.58 0.00 2.11 0.00 -1.86 -3.08 119.26 124.08 3mbr h ALA 216 Ca 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3mbr h ALA 216 Cb 1.10 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 3mbr h ALA 216 CO 0.11 0.09 -0.06 0.38 0.00 0.00 0.00 179.25 179.76 3mbr h ASP 217 N 0.00 0.00 -2.85 0.00 2.03 -1.93 -3.45 116.42 110.22 3mbr h ASP 217 Ca -0.00 0.00 -0.48 0.00 -0.73 0.00 0.00 57.03 55.82 3mbr h ASP 217 Cb 0.16 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.67 3mbr h ASP 217 CO 0.01 0.06 -0.17 0.00 -1.03 0.00 0.00 179.24 178.11 3mbr s ALA 218 N -4.33 3.68 0.05 4.15 0.00 -1.16 -5.05 121.76 119.10 3mbr s ALA 218 Ca -0.04 -0.88 -0.34 0.00 0.00 0.00 0.00 51.96 50.70 3mbr s ALA 218 Cb 0.14 -2.14 -0.13 0.00 0.00 0.00 0.00 23.12 20.98 3mbr s ALA 218 CO 0.56 -0.04 1.69 -0.11 0.00 0.00 0.00 175.76 177.85 3mbr n LEU 219 N -1.82 3.15 -3.87 0.00 7.94 -1.26 -4.98 117.00 116.16 3mbr n LEU 219 Ca -0.04 1.04 -0.21 0.00 -1.11 0.00 0.00 56.01 55.68 3mbr n LEU 219 Cb 0.56 -1.39 -0.17 0.00 0.53 0.00 0.00 43.42 42.96 3mbr n LEU 219 CO 0.49 -0.23 -0.41 -0.89 -1.11 0.00 0.00 177.39 175.24 3mbr s THR 220 N 2.19 0.56 0.56 1.96 2.01 -1.26 -5.09 115.64 116.56 3mbr s THR 220 Ca 0.85 -0.09 0.06 0.00 0.31 0.00 0.00 61.69 62.81 3mbr s THR 220 Cb -0.70 -0.61 0.05 0.00 0.01 0.00 0.00 72.50 71.24 3mbr s THR 220 CO 0.44 0.25 0.44 1.51 -0.69 0.00 0.00 174.62 176.57 3mbr s ASP 221 N 1.22 4.65 0.00 3.53 3.84 -1.26 -5.00 116.67 123.64 3mbr s ASP 221 Ca -0.06 -1.25 0.23 0.00 -0.00 0.00 0.00 52.55 51.47 3mbr s ASP 221 Cb -0.14 0.48 1.23 0.00 -1.38 0.00 0.00 42.92 43.12 3mbr s ASP 221 CO -0.02 -1.16 1.77 -1.54 -0.00 0.00 0.00 175.17 174.22 3mbr n SER 222 N -1.82 0.00 -0.01 2.11 3.41 -1.26 -1.31 113.62 114.74 3mbr n SER 222 Ca -0.01 -0.21 0.11 0.00 -0.26 0.00 0.00 58.87 58.51 3mbr n SER 222 Cb 0.64 -0.22 0.15 0.00 -0.26 0.00 0.00 64.21 64.52 3mbr n SER 222 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3mbr n THR 223 N -1.22 0.00 -0.20 6.66 -2.24 -1.26 -4.83 114.28 111.19 3mbr n THR 223 Ca 0.13 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 3mbr n THR 223 Cb 0.16 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 3mbr n THR 223 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3mbr n ASN 224 N -1.48 0.00 -3.14 3.42 5.03 -0.43 -4.88 115.26 113.78 3mbr n ASN 224 Ca 0.05 -0.01 -0.35 0.00 0.87 0.00 0.00 54.58 55.14 3mbr n ASN 224 Cb 0.33 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 39.06 3mbr n ASN 224 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 3mbr n ASP 225 N -0.03 7.79 -4.84 6.41 10.43 -1.26 -4.67 116.55 130.38 3mbr n ASP 225 Ca 0.00 -2.90 -0.32 0.00 2.57 0.00 0.00 54.79 54.13 3mbr n ASP 225 Cb 0.00 -1.41 -0.04 0.00 1.84 0.00 0.00 41.12 41.51 3mbr n ASP 225 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 3mbr s VAL 226 N -0.03 4.49 0.28 2.53 -7.23 -1.26 -4.50 120.40 114.67 3mbr s VAL 226 Ca 0.61 1.25 -0.30 0.00 -1.81 0.00 0.00 61.98 61.73 3mbr s VAL 226 Cb 0.22 -3.69 -0.12 0.00 0.56 0.00 0.00 36.38 33.35 3mbr s VAL 226 CO -0.09 -0.62 1.57 -0.11 -0.31 0.00 0.00 175.10 175.53 3mbr n LEU 227 N -1.43 4.10 0.00 1.32 0.00 -1.26 -1.10 117.00 118.62 3mbr n LEU 227 Ca 0.07 1.14 0.00 0.00 0.00 0.00 0.00 56.01 57.22 3mbr n LEU 227 Cb 0.54 -1.56 0.00 0.00 0.00 0.00 0.00 43.42 42.40 3mbr n LEU 227 CO 0.45 0.03 0.07 -3.20 0.00 0.00 0.00 177.39 174.74 3mbr n ASN 228 N 2.25 0.00 -3.70 1.96 4.05 -0.53 -4.88 115.26 114.42 3mbr n ASN 228 Ca 0.09 -1.00 -0.19 0.00 0.45 0.00 0.00 54.58 53.94 3mbr n ASN 228 Cb 0.36 0.00 -0.17 0.00 1.23 0.00 0.00 39.78 41.19 3mbr n ASN 228 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 3mbr s GLY 229 N 0.00 0.18 -0.12 8.20 0.00 -0.70 -3.09 107.32 111.79 3mbr s GLY 229 Ca 0.00 0.23 -0.00 0.00 0.00 0.00 0.00 44.72 44.95 3mbr s GLY 229 CO 0.00 1.21 -0.08 -0.42 0.00 0.00 0.00 173.10 173.82 3mbr s ILE 230 N 1.88 1.05 -0.03 0.90 1.01 -1.26 -1.48 121.20 123.27 3mbr s ILE 230 Ca 0.01 -0.31 0.03 0.00 0.00 0.00 0.00 60.65 60.38 3mbr s ILE 230 Cb -0.12 -1.07 0.00 0.00 0.01 0.00 0.00 42.46 41.28 3mbr s ILE 230 CO -0.03 0.36 -0.11 0.00 0.00 0.00 0.00 174.94 175.16 3mbr s ALA 231 N 1.70 1.06 -0.14 9.38 0.00 0.11 -4.60 121.76 129.27 3mbr s ALA 231 Ca 0.05 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 51.59 3mbr s ALA 231 Cb -0.13 -0.39 -0.00 0.00 0.00 0.00 0.00 23.12 22.60 3mbr s ALA 231 CO -0.08 0.17 -0.17 0.12 0.00 0.00 0.00 175.76 175.80 3mbr s PHE 232 N 0.19 2.75 -0.61 0.00 5.36 -1.26 -0.42 117.98 123.99 3mbr s PHE 232 Ca -0.04 -1.00 -0.20 0.00 -0.96 0.00 0.00 56.93 54.73 3mbr s PHE 232 Cb -0.10 -1.85 0.09 0.00 -0.34 0.00 0.00 43.02 40.82 3mbr s PHE 232 CO 0.01 -0.43 0.79 0.34 -1.46 0.00 0.00 175.22 174.47 3mbr s ASP 233 N 0.67 6.18 0.39 6.13 3.68 0.90 -4.42 116.67 130.21 3mbr s ASP 233 Ca -0.08 -1.28 0.20 0.00 2.13 0.00 0.00 52.55 53.52 3mbr s ASP 233 Cb -0.16 -2.34 0.69 0.00 -1.45 0.00 0.00 42.92 39.66 3mbr s ASP 233 CO 0.02 -1.22 1.73 0.00 0.13 0.00 0.00 175.17 175.83 3mbr h ALA 234 N 9.31 0.97 -0.56 3.66 0.00 -1.92 0.41 119.26 131.13 3mbr h ALA 234 Ca -0.29 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.24 3mbr h ALA 234 Cb 1.08 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3mbr h ALA 234 CO 1.13 0.41 0.06 1.49 0.00 0.00 0.00 179.25 182.34 3mbr h GLU 235 N 0.00 0.92 -0.14 0.00 4.81 -1.97 -3.18 114.58 115.01 3mbr h GLU 235 Ca -0.00 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 3mbr h GLU 235 Cb 0.90 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.17 3mbr h GLU 235 CO 0.04 0.87 0.00 0.72 -0.73 0.00 0.00 179.01 179.91 3mbr n HIS 236 N -4.22 0.19 -3.49 0.92 8.25 -1.20 -5.00 115.22 110.66 3mbr n HIS 236 Ca 0.03 -0.24 -0.20 0.00 -0.26 0.00 0.00 57.72 57.05 3mbr n HIS 236 Cb 0.29 -0.01 0.06 0.00 1.12 0.00 0.00 29.99 31.44 3mbr n HIS 236 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3mbr n ASP 237 N 0.44 -3.95 -4.36 0.41 2.03 0.04 -5.02 116.55 106.14 3mbr n ASP 237 Ca 0.07 -0.78 -0.32 0.00 0.52 0.00 0.00 54.79 54.28 3mbr n ASP 237 Cb 0.31 -4.53 -0.15 0.00 -0.72 0.00 0.00 41.12 36.04 3mbr n ASP 237 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3mbr s ARG 238 N -5.33 2.96 -0.18 -0.67 0.52 -0.61 -4.97 118.95 110.67 3mbr s ARG 238 Ca 0.24 -0.75 -0.03 0.00 -0.52 0.00 0.00 55.73 54.67 3mbr s ARG 238 Cb -0.05 -2.44 -0.02 0.00 0.52 0.00 0.00 34.95 32.96 3mbr s ARG 238 CO 0.78 0.35 -0.06 -1.17 0.02 0.00 0.00 175.30 175.22 3mbr s LEU 239 N -0.02 3.00 0.04 2.53 2.96 -1.25 -0.07 118.68 125.87 3mbr s LEU 239 Ca -0.05 -0.28 0.08 0.00 -0.22 0.00 0.00 54.13 53.67 3mbr s LEU 239 Cb -0.14 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 3mbr s LEU 239 CO 0.04 0.09 -0.23 -0.36 -1.32 0.00 0.00 176.35 174.57 3mbr s PHE 240 N 0.83 2.41 0.01 5.38 0.08 0.44 -0.82 117.98 126.31 3mbr s PHE 240 Ca -0.02 -0.36 0.03 0.00 0.12 0.00 0.00 56.93 56.71 3mbr s PHE 240 Cb -0.15 -1.42 -0.01 0.00 -0.57 0.00 0.00 43.02 40.87 3mbr s PHE 240 CO 0.01 0.17 -0.09 0.14 -0.10 0.00 0.00 175.22 175.36 3mbr s VAL 241 N -0.85 0.67 0.26 -0.44 -7.23 -0.02 -0.72 120.40 112.07 3mbr s VAL 241 Ca 0.13 -0.57 -0.05 0.00 -1.81 0.00 0.00 61.98 59.68 3mbr s VAL 241 Cb -0.10 -0.60 0.02 0.00 0.56 0.00 0.00 36.38 36.26 3mbr s VAL 241 CO 0.03 0.04 0.44 1.07 -0.31 0.00 0.00 175.10 176.37 3mbr n THR 242 N 2.47 0.00 -3.68 5.32 5.66 -0.55 -0.95 114.28 122.55 3mbr n THR 242 Ca -0.16 -1.04 -0.08 0.00 -3.05 0.00 0.00 64.05 59.72 3mbr n THR 242 Cb 0.56 0.75 0.03 0.00 -1.55 0.00 0.00 70.33 70.12 3mbr n THR 242 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3mbr n GLY 243 N -0.40 1.13 3.66 1.09 0.00 -1.26 -1.45 105.19 107.96 3mbr n GLY 243 Ca -0.02 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 3mbr n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mbr s LYS 244 N -2.08 4.10 -0.70 1.61 1.02 -0.26 -1.52 119.74 121.91 3mbr s LYS 244 Ca 0.14 2.55 0.00 0.00 0.02 0.00 0.00 55.97 58.68 3mbr s LYS 244 Cb -0.04 -4.16 0.00 0.00 -0.52 0.00 0.00 37.83 33.11 3mbr s LYS 244 CO 0.10 -1.00 0.00 0.54 -0.92 0.00 0.00 175.35 174.08 3mbr n ARG 245 N 7.56 -1.25 -2.06 1.68 1.74 -0.15 -4.35 116.66 119.82 3mbr n ARG 245 Ca 0.20 0.65 -0.38 0.00 -0.77 0.00 0.00 57.85 57.55 3mbr n ARG 245 Cb 0.41 -4.75 0.00 0.00 -1.02 0.00 0.00 32.46 27.11 3mbr n ARG 245 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3mbr s TRP 246 N -1.85 2.72 -0.95 -1.55 0.52 -0.57 -4.70 118.94 112.55 3mbr s TRP 246 Ca 0.00 1.45 0.28 0.00 0.02 0.00 0.00 56.10 57.85 3mbr s TRP 246 Cb 0.00 -3.60 1.06 0.00 -1.15 0.00 0.00 33.47 29.78 3mbr s TRP 246 CO 0.00 -2.06 1.82 -0.35 0.02 0.00 0.00 176.95 176.38 3mbr n PRO 247 N -0.35 0.05 -4.02 4.98 -0.04 -1.26 -4.31 135.00 130.04 3mbr n PRO 247 Ca 0.06 0.03 -0.08 0.00 -0.04 0.00 0.00 63.50 63.48 3mbr n PRO 247 Cb 0.45 -1.55 -0.10 0.00 -0.04 0.00 0.00 33.50 32.27 3mbr n PRO 247 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3mbr s MET 248 N -3.02 0.59 -0.07 0.54 -1.94 -1.26 -1.56 119.30 112.57 3mbr s MET 248 Ca 0.13 -1.03 0.04 0.00 -1.71 0.00 0.00 55.69 53.12 3mbr s MET 248 Cb 0.18 0.22 -0.02 0.00 2.01 0.00 0.00 34.83 37.22 3mbr s MET 248 CO 0.57 -0.13 -0.19 -1.17 -0.01 0.00 0.00 175.02 174.09 3mbr s LEU 249 N -2.58 2.40 -0.10 -0.03 0.20 0.06 -4.66 118.68 113.97 3mbr s LEU 249 Ca 0.02 -0.39 0.01 0.00 0.69 0.00 0.00 54.13 54.46 3mbr s LEU 249 Cb 0.04 -1.48 -0.02 0.00 -0.43 0.00 0.00 46.19 44.30 3mbr s LEU 249 CO -0.08 0.25 -0.12 -0.31 -0.29 0.00 0.00 176.35 175.80 3mbr s TYR 250 N -0.18 2.80 -0.15 5.38 1.51 -0.13 -0.33 117.35 126.25 3mbr s TYR 250 Ca -0.02 -0.43 -0.19 0.00 -1.01 0.00 0.00 57.07 55.42 3mbr s TYR 250 Cb -0.14 -1.78 -0.04 0.00 -0.11 0.00 0.00 41.96 39.90 3mbr s TYR 250 CO 0.03 -0.04 0.55 -2.00 -1.11 0.00 0.00 175.55 172.98 3mbr s GLU 251 N -0.06 4.29 0.06 -0.62 2.12 -0.26 -0.84 118.70 123.39 3mbr s GLU 251 Ca -0.02 0.53 0.07 0.00 0.36 0.00 0.00 54.97 55.91 3mbr s GLU 251 Cb -0.14 -3.50 -0.03 0.00 0.26 0.00 0.00 34.13 30.73 3mbr s GLU 251 CO 0.04 -0.01 -0.19 0.96 -0.54 0.00 0.00 175.26 175.52 3mbr s ILE 252 N 1.14 1.53 -0.18 -3.70 -4.36 0.00 -0.44 121.20 115.19 3mbr s ILE 252 Ca 0.28 -1.22 -0.01 0.00 -0.26 0.00 0.00 60.65 59.43 3mbr s ILE 252 Cb -0.16 -1.36 -0.00 0.00 1.25 0.00 0.00 42.46 42.20 3mbr s ILE 252 CO 0.11 0.09 -0.12 -0.60 0.24 0.00 0.00 174.94 174.66 3mbr s ARG 253 N -1.33 3.25 0.24 0.37 6.06 0.01 -3.94 118.95 123.61 3mbr s ARG 253 Ca 0.06 -0.71 -0.30 0.00 -2.50 0.00 0.00 55.73 52.28 3mbr s ARG 253 Cb -0.09 -2.74 -0.09 0.00 0.06 0.00 0.00 34.95 32.10 3mbr s ARG 253 CO 0.02 -0.06 1.09 -0.51 -2.50 0.00 0.00 175.30 173.34 3mbr s LEU 254 N 1.03 4.54 -0.02 -0.88 1.43 -1.26 -1.14 118.68 122.38 3mbr s LEU 254 Ca -0.01 2.19 -0.26 0.00 -1.03 0.00 0.00 54.13 55.02 3mbr s LEU 254 Cb -0.15 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.42 3mbr s LEU 254 CO -0.03 -0.15 0.82 -0.89 0.23 0.00 0.00 176.35 176.34 3mbr s THR 255 N -0.86 4.92 0.38 5.49 2.01 0.41 -4.93 115.64 123.05 3mbr s THR 255 Ca 0.46 1.72 -0.27 0.00 0.31 0.00 0.00 61.69 63.91 3mbr s THR 255 Cb -0.31 -4.16 -0.11 0.00 0.01 0.00 0.00 72.50 67.92 3mbr s THR 255 CO 0.38 0.24 1.21 -2.65 -0.69 0.00 0.00 174.62 173.11 3mbr n PRO 256 N 3.65 1.85 -3.17 4.92 -0.02 -1.26 -4.38 135.00 136.59 3mbr n PRO 256 Ca 0.01 0.65 -0.32 0.00 -2.02 0.00 0.00 63.50 61.82 3mbr n PRO 256 Cb 0.51 -2.24 -0.06 0.00 -0.02 0.00 0.00 33.50 31.69 3mbr n PRO 256 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3mbr s LEU 257 N -1.00 4.07 0.23 2.45 2.96 -1.26 -4.93 118.68 121.20 3mbr s LEU 257 Ca 0.59 1.21 -0.30 0.00 -0.22 0.00 0.00 54.13 55.41 3mbr s LEU 257 Cb -0.56 -4.01 -0.09 0.00 0.50 0.00 0.00 46.19 42.04 3mbr s LEU 257 CO 0.60 -0.19 1.09 -2.16 -1.32 0.00 0.00 176.35 174.36 3mbr s PRO 258 N -3.00 4.64 0.00 0.98 0.04 -1.26 -5.21 135.00 131.18 3mbr s PRO 258 Ca 0.53 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.31 3mbr s PRO 258 Cb -0.10 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.20 3mbr s PRO 258 CO 0.19 0.18 0.00 1.58 0.04 0.00 0.00 177.00 178.98