#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m6p s LYS 4 N 0.00 3.71 0.36 3.49 -0.14 -1.26 -4.97 119.74 120.93 1m6p s LYS 4 Ca 0.00 0.97 0.04 0.00 -1.36 0.00 0.00 55.97 55.62 1m6p s LYS 4 Cb 0.00 -3.96 -0.03 0.00 -1.68 0.00 0.00 37.83 32.16 1m6p s LYS 4 CO 0.00 -1.39 0.17 -0.08 -0.76 0.00 0.00 175.35 173.29 1m6p s THR 5 N 4.92 0.42 0.25 2.17 -1.32 -1.26 -4.67 115.64 116.14 1m6p s THR 5 Ca 0.57 -2.00 -0.31 0.00 -1.21 0.00 0.00 61.69 58.74 1m6p s THR 5 Cb -0.13 -2.43 -0.12 0.00 -1.51 0.00 0.00 72.50 68.31 1m6p s THR 5 CO 0.29 0.00 1.65 0.00 -2.21 0.00 0.00 174.62 174.36 1m6p s ASP 7 N 0.83 5.19 0.34 0.00 1.01 -0.65 -5.00 116.67 118.37 1m6p s ASP 7 Ca 0.70 -0.03 0.04 0.00 0.71 0.00 0.00 52.55 53.96 1m6p s ASP 7 Cb -0.51 -1.87 -0.02 0.00 1.01 0.00 0.00 42.92 41.53 1m6p s ASP 7 CO 0.40 0.17 0.50 -0.76 0.21 0.00 0.00 175.17 175.69 1m6p s LEU 8 N 0.37 4.00 0.21 1.23 1.43 -1.26 -1.68 118.68 122.98 1m6p s LEU 8 Ca -0.01 0.09 -0.30 0.00 -1.03 0.00 0.00 54.13 52.88 1m6p s LEU 8 Cb -0.13 -2.97 -0.09 0.00 0.03 0.00 0.00 46.19 43.03 1m6p s LEU 8 CO 0.02 -0.37 1.39 0.54 0.23 0.00 0.00 176.35 178.15 1m6p s VAL 9 N -2.23 2.96 0.00 -1.59 0.11 -1.26 -4.81 120.40 113.58 1m6p s VAL 9 Ca 0.42 0.78 0.00 0.00 -2.93 0.00 0.00 61.98 60.24 1m6p s VAL 9 Cb -0.09 -3.50 0.00 0.00 -1.53 0.00 0.00 36.38 31.26 1m6p s VAL 9 CO 0.33 0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.82 1m6p n GLY 10 N 2.50 3.01 3.57 6.54 0.00 -1.26 -4.37 105.19 115.18 1m6p n GLY 10 Ca 0.07 -1.61 -0.28 0.00 0.00 0.00 0.00 46.02 44.20 1m6p n GLY 10 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1m6p s GLU 11 N -4.68 -0.44 -0.14 1.61 2.12 -1.26 -4.56 118.70 111.35 1m6p s GLU 11 Ca 0.00 0.59 -0.31 0.00 0.36 0.00 0.00 54.97 55.61 1m6p s GLU 11 Cb 0.00 -1.63 -0.08 0.00 0.26 0.00 0.00 34.13 32.68 1m6p s GLU 11 CO 0.00 -3.34 2.09 1.63 -0.54 0.00 0.00 175.26 175.10 1m6p n LYS 12 N -4.61 2.12 0.00 4.30 5.02 -1.26 -0.63 118.16 123.10 1m6p n LYS 12 Ca 0.04 0.69 0.00 0.00 -2.02 0.00 0.00 58.31 57.02 1m6p n LYS 12 Cb 0.56 -2.95 0.00 0.00 -0.02 0.00 0.00 35.03 32.62 1m6p n LYS 12 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1m6p n GLY 13 N 5.28 3.16 0.13 0.72 0.00 -1.26 -4.88 105.19 108.34 1m6p n GLY 13 Ca 0.27 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.41 1m6p n GLY 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1m6p n LYS 14 N -1.56 0.40 -2.05 1.61 4.76 0.19 -4.95 118.16 116.56 1m6p n LYS 14 Ca 0.00 -0.25 -0.37 0.00 -2.87 0.00 0.00 58.31 54.82 1m6p n LYS 14 Cb 0.00 -1.49 0.02 0.00 -1.84 0.00 0.00 35.03 31.71 1m6p n LYS 14 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1m6p s GLU 15 N -2.78 3.35 0.21 1.97 2.02 -1.21 -4.81 118.70 117.44 1m6p s GLU 15 Ca 0.16 1.92 -0.31 0.00 0.02 0.00 0.00 54.97 56.76 1m6p s GLU 15 Cb 0.18 -2.22 -0.11 0.00 0.10 0.00 0.00 34.13 32.08 1m6p s GLU 15 CO 0.64 -0.93 1.63 0.45 0.02 0.00 0.00 175.26 177.07 1m6p s SER 16 N -1.31 6.47 0.36 -0.19 0.15 -1.26 -4.90 113.70 113.01 1m6p s SER 16 Ca 0.70 2.78 0.09 0.00 0.70 0.00 0.00 55.95 60.22 1m6p s SER 16 Cb -0.32 -2.61 0.69 0.00 -1.71 0.00 0.00 66.02 62.07 1m6p s SER 16 CO 0.38 -0.89 1.85 -0.08 1.20 0.00 0.00 173.24 175.70 1m6p h GLU 17 N 6.31 0.21 -0.36 5.44 4.57 -1.98 -1.42 114.58 127.35 1m6p h GLU 17 Ca -0.44 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 57.64 1m6p h GLU 17 Cb 1.21 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.76 1m6p h GLU 17 CO 0.90 0.44 0.08 0.87 -1.18 0.00 0.00 179.01 180.11 1m6p h LYS 18 N 0.19 0.59 -0.43 1.92 1.57 -1.99 -1.24 116.57 117.18 1m6p h LYS 18 Ca 0.03 -0.15 -0.13 0.00 -1.87 0.00 0.00 60.65 58.54 1m6p h LYS 18 Cb 0.52 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1m6p h LYS 18 CO 0.04 0.65 -0.23 0.93 -0.57 0.00 0.00 179.45 180.27 1m6p h GLU 19 N 0.44 0.91 -0.51 3.15 5.08 -1.77 -2.27 114.58 119.61 1m6p h GLU 19 Ca 0.11 -0.41 0.02 0.00 -1.00 0.00 0.00 59.36 58.09 1m6p h GLU 19 Cb 0.33 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1m6p h GLU 19 CO 0.00 1.06 0.31 -0.07 -1.00 0.00 0.00 179.01 179.32 1m6p h LEU 20 N 0.74 0.52 -0.95 1.33 3.38 -1.16 -1.46 115.31 117.71 1m6p h LEU 20 Ca 0.09 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1m6p h LEU 20 Cb 0.80 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 1m6p h LEU 20 CO 0.07 0.37 0.40 0.00 0.09 0.00 0.00 178.44 179.37 1m6p h ALA 21 N 1.21 1.18 -0.47 1.53 0.00 -1.15 -2.77 119.26 118.80 1m6p h ALA 21 Ca 0.20 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1m6p h ALA 21 Cb -0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1m6p h ALA 21 CO -0.08 0.63 -0.04 -0.07 0.00 0.00 0.00 179.25 179.69 1m6p h LEU 22 N 1.14 0.86 -0.83 0.00 3.38 -0.94 -2.48 115.31 116.43 1m6p h LEU 22 Ca 0.28 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.97 1m6p h LEU 22 Cb 0.09 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 1m6p h LEU 22 CO -0.04 0.98 0.52 -0.07 0.09 0.00 0.00 178.44 179.92 1m6p h LEU 23 N 0.71 0.84 -1.13 1.67 3.38 -1.09 -0.95 115.31 118.75 1m6p h LEU 23 Ca 0.13 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1m6p h LEU 23 Cb 0.56 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1m6p h LEU 23 CO 0.03 0.55 0.30 0.50 0.09 0.00 0.00 178.44 179.91 1m6p h LYS 24 N 0.98 0.91 -0.15 1.13 3.64 -1.35 -2.24 116.57 119.48 1m6p h LYS 24 Ca 0.35 -0.12 -0.11 0.00 -1.27 0.00 0.00 60.65 59.50 1m6p h LYS 24 Cb 0.10 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1m6p h LYS 24 CO -0.15 0.71 -0.38 -0.09 -2.27 0.00 0.00 179.45 177.27 1m6p h ARG 25 N 0.90 0.32 -0.00 1.90 2.43 -0.77 -2.98 114.38 116.19 1m6p h ARG 25 Ca 0.22 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1m6p h ARG 25 Cb 0.11 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1m6p h ARG 25 CO -0.03 0.66 -0.01 1.28 -1.51 0.00 0.00 179.97 180.36 1m6p n LEU 26 N -4.05 0.11 -0.31 3.80 4.77 -0.48 -4.37 117.00 116.47 1m6p n LEU 26 Ca -0.01 0.07 0.15 0.00 -0.03 0.00 0.00 56.01 56.18 1m6p n LEU 26 Cb 0.47 -0.10 0.32 0.00 -2.33 0.00 0.00 43.42 41.78 1m6p n LEU 26 CO 0.42 0.02 0.96 0.74 -1.33 0.00 0.00 177.39 178.20 1m6p h THR 27 N 0.15 0.28 0.00 -5.08 2.02 -1.35 0.14 112.91 109.07 1m6p h THR 27 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1m6p h THR 27 Cb 0.14 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 1m6p h THR 27 CO 0.00 0.04 0.00 -0.81 0.37 0.00 0.00 175.52 175.12 1m6p n PRO 28 N -5.23 0.06 0.10 6.66 -0.04 -1.26 -1.59 135.00 133.70 1m6p n PRO 28 Ca 0.23 0.50 0.10 0.00 -0.04 0.00 0.00 63.50 64.29 1m6p n PRO 28 Cb 0.75 -1.66 -0.00 0.00 -0.04 0.00 0.00 33.50 32.54 1m6p n PRO 28 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1m6p h LEU 29 N 0.00 0.00 -1.07 1.53 3.38 -1.30 -3.39 115.31 114.46 1m6p h LEU 29 Ca 0.00 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.16 1m6p h LEU 29 Cb 0.07 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.72 1m6p h LEU 29 CO 0.00 0.06 0.61 -0.26 0.09 0.00 0.00 178.44 178.95 1m6p h PHE 30 N 0.00 1.01 0.00 1.13 0.04 -1.36 -0.56 116.94 117.19 1m6p h PHE 30 Ca -0.02 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1m6p h PHE 30 Cb 1.06 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.91 1m6p h PHE 30 CO 0.00 0.23 0.00 0.00 -0.60 0.00 0.00 178.31 177.94 1m6p n GLN 31 N -4.73 0.16 -2.41 1.51 10.64 -1.26 -4.67 117.38 116.62 1m6p n GLN 31 Ca 0.23 0.25 -0.26 0.00 -1.83 0.00 0.00 57.00 55.39 1m6p n GLN 31 Cb 0.58 -1.74 0.04 0.00 -0.86 0.00 0.00 30.24 28.27 1m6p n GLN 31 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 1m6p s LYS 32 N -3.14 2.74 -0.04 2.61 1.02 -0.22 -5.11 119.74 117.59 1m6p s LYS 32 Ca 0.09 -0.15 -0.04 0.00 0.02 0.00 0.00 55.97 55.89 1m6p s LYS 32 Cb 0.12 -2.29 0.01 0.00 -0.52 0.00 0.00 37.83 35.16 1m6p s LYS 32 CO 0.47 -0.79 0.11 0.45 -0.92 0.00 0.00 175.35 174.67 1m6p s SER 33 N -4.35 -0.11 -0.02 2.83 0.15 -1.26 -4.55 113.70 106.38 1m6p s SER 33 Ca 0.55 0.22 0.05 0.00 0.70 0.00 0.00 55.95 57.47 1m6p s SER 33 Cb -0.11 0.22 -0.01 0.00 -1.71 0.00 0.00 66.02 64.41 1m6p s SER 33 CO 0.44 -0.04 -0.18 -0.36 1.20 0.00 0.00 173.24 174.30 1m6p s PHE 34 N 0.12 1.64 0.02 3.44 0.08 -0.22 -4.99 117.98 118.07 1m6p s PHE 34 Ca -0.01 -0.35 0.00 0.00 0.12 0.00 0.00 56.93 56.70 1m6p s PHE 34 Cb -0.01 -1.06 -0.02 0.00 -0.57 0.00 0.00 43.02 41.35 1m6p s PHE 34 CO -0.00 -0.06 -0.03 -2.00 -0.10 0.00 0.00 175.22 173.03 1m6p s GLU 35 N -0.31 0.30 -0.27 0.44 -6.30 -1.26 -0.03 118.70 111.26 1m6p s GLU 35 Ca 0.04 -0.59 -0.15 0.00 -2.50 0.00 0.00 54.97 51.77 1m6p s GLU 35 Cb -0.08 0.10 0.08 0.00 0.00 0.00 0.00 34.13 34.23 1m6p s GLU 35 CO -0.00 -0.05 0.66 0.45 0.02 0.00 0.00 175.26 176.35 1m6p s SER 36 N -1.41 -0.91 0.45 -1.70 0.15 -0.38 -4.93 113.70 104.96 1m6p s SER 36 Ca -0.15 1.46 0.08 0.00 0.70 0.00 0.00 55.95 58.04 1m6p s SER 36 Cb -0.10 1.34 0.01 0.00 -1.71 0.00 0.00 66.02 65.56 1m6p s SER 36 CO -0.01 -0.24 0.48 -0.89 1.20 0.00 0.00 173.24 173.79 1m6p s THR 37 N 1.63 2.58 0.00 6.45 2.01 -1.26 -0.12 115.64 126.93 1m6p s THR 37 Ca -0.10 -1.22 0.00 0.00 0.31 0.00 0.00 61.69 60.68 1m6p s THR 37 Cb -0.05 -2.80 0.00 0.00 0.01 0.00 0.00 72.50 69.65 1m6p s THR 37 CO -0.19 0.00 0.00 1.15 -0.69 0.00 0.00 174.62 174.89 1m6p n MET 44 N -1.74 0.00 -4.49 4.92 -0.00 -1.26 -4.99 117.12 109.57 1m6p n MET 44 Ca 0.06 0.00 -0.29 0.00 -0.00 0.00 0.00 57.70 57.46 1m6p n MET 44 Cb 0.61 0.00 -0.13 0.00 -0.00 0.00 0.00 33.22 33.70 1m6p n MET 44 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 1m6p s TYR 45 N -1.63 2.34 -0.17 3.17 2.02 -1.26 -1.57 117.35 120.24 1m6p s TYR 45 Ca 0.00 -0.37 0.00 0.00 -0.37 0.00 0.00 57.07 56.33 1m6p s TYR 45 Cb 0.00 -1.29 0.03 0.00 -0.40 0.00 0.00 41.96 40.30 1m6p s TYR 45 CO 0.00 0.30 -0.11 0.45 -1.57 0.00 0.00 175.55 174.62 1m6p s SER 46 N -1.90 3.02 -0.21 2.29 0.15 -0.62 -4.95 113.70 111.48 1m6p s SER 46 Ca 0.14 -0.69 -0.09 0.00 0.70 0.00 0.00 55.95 56.01 1m6p s SER 46 Cb -0.10 -1.18 -0.05 0.00 -1.71 0.00 0.00 66.02 62.99 1m6p s SER 46 CO 0.06 -0.11 0.12 -0.31 1.20 0.00 0.00 173.24 174.20 1m6p s TYR 47 N 1.46 3.35 -0.12 3.44 2.02 0.83 -0.41 117.35 127.92 1m6p s TYR 47 Ca 0.02 0.24 0.02 0.00 -0.37 0.00 0.00 57.07 56.97 1m6p s TYR 47 Cb -0.15 -2.17 -0.01 0.00 -0.40 0.00 0.00 41.96 39.24 1m6p s TYR 47 CO -0.09 0.20 -0.19 0.08 -1.57 0.00 0.00 175.55 173.98 1m6p s VAL 48 N 0.53 2.51 0.02 0.71 1.01 -0.80 -1.26 120.40 123.12 1m6p s VAL 48 Ca 0.07 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.25 1m6p s VAL 48 Cb -0.12 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 1m6p s VAL 48 CO -0.00 0.54 -0.17 0.12 0.00 0.00 0.00 175.10 175.59 1m6p s PHE 49 N 0.41 1.47 -0.00 5.22 5.36 0.95 -1.56 117.98 129.83 1m6p s PHE 49 Ca -0.14 -0.33 -0.09 0.00 -0.96 0.00 0.00 56.93 55.42 1m6p s PHE 49 Cb -0.17 -0.90 0.01 0.00 -0.34 0.00 0.00 43.02 41.62 1m6p s PHE 49 CO 0.06 0.03 0.17 1.03 -1.46 0.00 0.00 175.22 175.06 1m6p s ARG 50 N -0.86 0.51 -0.42 10.12 0.52 -0.65 -1.05 118.95 127.13 1m6p s ARG 50 Ca 0.05 -0.33 -0.17 0.00 -0.52 0.00 0.00 55.73 54.75 1m6p s ARG 50 Cb -0.07 0.22 0.02 0.00 0.52 0.00 0.00 34.95 35.63 1m6p s ARG 50 CO 0.01 -0.13 0.43 0.08 0.02 0.00 0.00 175.30 175.71 1m6p s VAL 51 N -1.32 5.10 -1.87 3.52 1.01 -1.26 -4.36 120.40 121.22 1m6p s VAL 51 Ca -0.14 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1m6p s VAL 51 Cb -0.07 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1m6p s VAL 51 CO 0.02 -0.40 0.00 0.00 0.00 0.00 0.00 175.10 174.72 1m6p s ARG 53 N -4.63 0.37 -0.30 0.00 1.81 -1.26 -4.20 118.95 110.73 1m6p s ARG 53 Ca 0.00 -0.65 -0.28 0.00 -1.72 0.00 0.00 55.73 53.08 1m6p s ARG 53 Cb 0.00 0.13 -0.04 0.00 -0.45 0.00 0.00 34.95 34.59 1m6p s ARG 53 CO 0.00 -0.07 2.11 -2.00 -0.68 0.00 0.00 175.30 174.66 1m6p s GLU 54 N -1.73 3.04 0.13 3.54 2.56 -1.26 -4.51 118.70 120.46 1m6p s GLU 54 Ca -0.13 1.71 0.23 0.00 0.00 0.00 0.00 54.97 56.78 1m6p s GLU 54 Cb -0.08 -4.35 -0.02 0.00 2.00 0.00 0.00 34.13 31.68 1m6p s GLU 54 CO -0.02 -2.21 0.97 0.00 -0.56 0.00 0.00 175.26 173.44 1m6p n ALA 55 N 11.87 2.75 -1.92 6.30 0.00 0.29 -4.96 120.51 134.84 1m6p n ALA 55 Ca 0.28 -0.31 -0.30 0.00 0.00 0.00 0.00 53.44 53.11 1m6p n ALA 55 Cb 0.47 -1.03 0.03 0.00 0.00 0.00 0.00 19.45 18.92 1m6p n ALA 55 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1m6p s GLY 56 N -4.21 1.63 -0.22 0.00 0.00 -1.24 -4.85 107.32 98.43 1m6p s GLY 56 Ca -0.01 -0.33 0.14 0.00 0.00 0.00 0.00 44.72 44.53 1m6p s GLY 56 CO 0.81 -0.01 1.54 -1.06 0.00 0.00 0.00 173.10 174.38 1m6p n GLN 57 N -2.85 3.26 0.00 2.90 6.02 -1.26 -4.32 117.38 121.12 1m6p n GLN 57 Ca 0.06 -2.97 0.00 0.00 -0.01 0.00 0.00 57.00 54.08 1m6p n GLN 57 Cb 0.56 -1.97 0.00 0.00 1.02 0.00 0.00 30.24 29.85 1m6p n GLN 57 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1m6p n HIS 58 N -0.34 0.00 -2.60 1.08 8.25 -1.26 -5.00 115.22 115.35 1m6p n HIS 58 Ca 0.27 -0.28 -0.19 0.00 -0.26 0.00 0.00 57.72 57.25 1m6p n HIS 58 Cb 1.04 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 32.12 1m6p n HIS 58 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1m6p n SER 59 N -0.28 -5.34 -1.69 0.41 7.64 -1.26 -4.89 113.62 108.20 1m6p n SER 59 Ca 0.00 -0.05 -0.06 0.00 1.01 0.00 0.00 58.87 59.77 1m6p n SER 59 Cb 0.30 -4.43 0.21 0.00 -1.01 0.00 0.00 64.21 59.28 1m6p n SER 59 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1m6p n SER 60 N -2.09 3.97 -1.94 6.43 3.41 -1.26 -4.89 113.62 117.25 1m6p n SER 60 Ca -0.18 -2.91 -0.20 0.00 -0.26 0.00 0.00 58.87 55.32 1m6p n SER 60 Cb 0.65 -0.69 -0.04 0.00 -0.26 0.00 0.00 64.21 63.87 1m6p n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1m6p n GLY 61 N -0.12 0.57 3.71 5.00 0.00 -1.26 -4.96 105.19 108.13 1m6p n GLY 61 Ca 0.32 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 1m6p n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m6p s ALA 62 N -2.88 3.31 -0.12 4.61 0.00 -1.26 -2.69 121.76 122.73 1m6p s ALA 62 Ca 0.00 0.69 0.21 0.00 0.00 0.00 0.00 51.96 52.86 1m6p s ALA 62 Cb 0.00 -3.41 -0.20 0.00 0.00 0.00 0.00 23.12 19.51 1m6p s ALA 62 CO 0.00 -0.40 0.67 0.41 0.00 0.00 0.00 175.76 176.45 1m6p n GLY 63 N 3.11 -1.18 3.16 0.00 0.00 0.28 -0.55 105.19 110.01 1m6p n GLY 63 Ca 0.08 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 1m6p n GLY 63 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1m6p s LEU 64 N -4.98 -0.63 0.24 0.99 0.20 -1.12 -1.64 118.68 111.74 1m6p s LEU 64 Ca -0.05 0.78 0.10 0.00 0.69 0.00 0.00 54.13 55.64 1m6p s LEU 64 Cb 0.11 1.27 -0.04 0.00 -0.43 0.00 0.00 46.19 47.10 1m6p s LEU 64 CO 0.86 -0.25 -0.06 0.68 -0.29 0.00 0.00 176.35 177.28 1m6p s VAL 65 N 2.59 3.21 -0.22 1.68 -7.23 -0.60 -0.47 120.40 119.36 1m6p s VAL 65 Ca 0.02 -1.91 0.02 0.00 -1.81 0.00 0.00 61.98 58.30 1m6p s VAL 65 Cb -0.13 -2.67 0.04 0.00 0.56 0.00 0.00 36.38 34.18 1m6p s VAL 65 CO -0.13 -0.29 -0.15 -1.58 -0.31 0.00 0.00 175.10 172.63 1m6p s GLN 66 N -3.38 2.58 -0.23 4.82 0.74 0.63 -1.90 119.66 122.92 1m6p s GLN 66 Ca 0.29 -1.09 -0.12 0.00 0.05 0.00 0.00 55.36 54.49 1m6p s GLN 66 Cb -0.07 -2.73 -0.05 0.00 1.10 0.00 0.00 33.01 31.27 1m6p s GLN 66 CO 0.18 -0.40 0.21 0.42 -0.55 0.00 0.00 175.29 175.15 1m6p s ILE 67 N 1.20 5.33 -0.57 -2.34 1.01 0.45 -0.65 121.20 125.62 1m6p s ILE 67 Ca -0.02 0.29 -0.28 0.00 0.00 0.00 0.00 60.65 60.64 1m6p s ILE 67 Cb -0.17 -3.55 0.02 0.00 0.01 0.00 0.00 42.46 38.77 1m6p s ILE 67 CO -0.09 0.32 1.38 -1.58 0.00 0.00 0.00 174.94 174.98 1m6p s GLN 68 N 1.12 3.32 0.57 2.79 2.00 0.16 -1.59 119.66 128.02 1m6p s GLN 68 Ca 0.10 0.39 0.28 0.00 -2.00 0.00 0.00 55.36 54.14 1m6p s GLN 68 Cb -0.14 -4.11 1.48 0.00 0.80 0.00 0.00 33.01 31.04 1m6p s GLN 68 CO 0.05 -1.92 1.94 0.87 -0.50 0.00 0.00 175.29 175.73 1m6p h LYS 69 N 10.83 0.00 -0.07 1.67 1.79 -1.61 0.59 116.57 129.78 1m6p h LYS 69 Ca -0.27 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.19 1m6p h LYS 69 Cb 1.09 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.73 1m6p h LYS 69 CO 1.18 0.00 -0.01 0.66 -1.08 0.00 0.00 179.45 180.20 1m6p h SER 70 N 0.00 0.13 0.00 0.86 4.64 -1.91 -3.36 113.55 113.91 1m6p h SER 70 Ca 0.25 -0.36 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1m6p h SER 70 Cb 1.16 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1m6p h SER 70 CO -0.00 0.46 -0.02 -0.46 -0.87 0.00 0.00 176.83 175.94 1m6p n ASN 71 N -4.82 1.71 -1.88 4.97 6.94 -1.08 -5.00 115.26 116.10 1m6p n ASN 71 Ca -0.07 -2.08 -0.18 0.00 -0.02 0.00 0.00 54.58 52.23 1m6p n ASN 71 Cb 0.22 -0.09 -0.03 0.00 -2.36 0.00 0.00 39.78 37.52 1m6p n ASN 71 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1m6p n GLY 72 N -0.59 0.22 3.71 4.83 0.00 0.21 -4.95 105.19 108.61 1m6p n GLY 72 Ca 0.03 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1m6p n GLY 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1m6p s LYS 73 N -4.52 4.55 -0.21 1.61 2.47 -1.16 -4.71 119.74 117.76 1m6p s LYS 73 Ca 0.00 1.46 -0.07 0.00 -1.56 0.00 0.00 55.97 55.80 1m6p s LYS 73 Cb 0.00 -3.44 -0.04 0.00 -1.46 0.00 0.00 37.83 32.89 1m6p s LYS 73 CO 0.00 -0.06 0.06 -2.00 0.16 0.00 0.00 175.35 173.51 1m6p s GLU 74 N 0.97 3.81 -0.18 4.03 2.12 -1.26 0.35 118.70 128.54 1m6p s GLU 74 Ca 0.53 -0.41 -0.02 0.00 0.36 0.00 0.00 54.97 55.42 1m6p s GLU 74 Cb -0.22 -3.26 -0.01 0.00 0.26 0.00 0.00 34.13 30.90 1m6p s GLU 74 CO 0.28 0.05 -0.09 0.99 -0.54 0.00 0.00 175.26 175.95 1m6p s THR 75 N 0.96 3.11 -0.15 -1.70 2.01 0.18 -4.95 115.64 115.11 1m6p s THR 75 Ca 0.04 -0.60 -0.29 0.00 0.31 0.00 0.00 61.69 61.14 1m6p s THR 75 Cb -0.14 -2.37 -0.02 0.00 0.01 0.00 0.00 72.50 69.99 1m6p s THR 75 CO 0.03 0.47 1.25 -0.69 -0.69 0.00 0.00 174.62 174.99 1m6p s VAL 76 N 1.06 4.29 -0.07 3.82 1.01 -1.26 -0.27 120.40 128.97 1m6p s VAL 76 Ca 0.00 1.57 0.14 0.00 0.00 0.00 0.00 61.98 63.69 1m6p s VAL 76 Cb -0.15 -4.01 -0.17 0.00 0.00 0.00 0.00 36.38 32.06 1m6p s VAL 76 CO -0.02 -0.11 0.84 0.58 0.00 0.00 0.00 175.10 176.40 1m6p h VAL 77 N 5.40 0.77 -1.61 2.92 2.07 -1.11 0.16 116.25 124.85 1m6p h VAL 77 Ca -0.28 -2.42 0.06 0.00 0.82 0.00 0.00 66.70 64.88 1m6p h VAL 77 Cb 1.11 2.29 -0.24 0.00 -1.52 0.00 0.00 31.29 32.92 1m6p h VAL 77 CO 0.95 0.44 0.47 -0.83 0.02 0.00 0.00 177.57 178.62 1m6p s GLY 78 N -4.89 -0.23 -0.10 2.17 0.00 -1.15 -1.55 107.32 101.57 1m6p s GLY 78 Ca -0.03 2.34 -0.02 0.00 0.00 0.00 0.00 44.72 47.01 1m6p s GLY 78 CO 0.81 1.47 -0.00 0.50 0.00 0.00 0.00 173.10 175.88 1m6p s ARG 79 N -0.37 3.12 0.00 2.90 0.52 0.68 -0.56 118.95 125.24 1m6p s ARG 79 Ca 0.00 -0.42 0.20 0.00 -0.52 0.00 0.00 55.73 54.99 1m6p s ARG 79 Cb -0.03 -2.82 1.13 0.00 0.52 0.00 0.00 34.95 33.75 1m6p s ARG 79 CO -0.02 0.62 1.60 1.97 0.02 0.00 0.00 175.30 179.49 1m6p n PHE 80 N 2.41 0.00 1.38 -0.53 1.16 -1.10 -2.21 117.46 118.57 1m6p n PHE 80 Ca -0.18 0.00 0.14 0.00 -1.87 0.00 0.00 57.45 55.54 1m6p n PHE 80 Cb 0.53 -0.10 0.69 0.00 -1.61 0.00 0.00 39.48 39.00 1m6p n PHE 80 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 1m6p n ASN 81 N -1.10 0.16 -3.28 5.98 6.94 -1.26 -1.64 115.26 121.06 1m6p n ASN 81 Ca 0.13 -0.24 -0.25 0.00 -0.02 0.00 0.00 54.58 54.20 1m6p n ASN 81 Cb 0.10 -0.22 -0.07 0.00 -2.36 0.00 0.00 39.78 37.23 1m6p n ASN 81 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1m6p n GLU 82 N -1.21 1.52 -4.05 -3.83 1.02 -0.94 -4.30 120.64 108.85 1m6p n GLU 82 Ca 0.14 -3.85 -0.34 0.00 -0.02 0.00 0.00 57.16 53.08 1m6p n GLU 82 Cb 0.26 -1.67 -0.07 0.00 -0.02 0.00 0.00 31.44 29.94 1m6p n GLU 82 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1m6p s THR 83 N -1.83 4.97 -0.02 2.62 2.01 -0.68 -1.14 115.64 121.58 1m6p s THR 83 Ca 0.38 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 62.16 1m6p s THR 83 Cb 0.17 -3.25 0.01 0.00 0.01 0.00 0.00 72.50 69.45 1m6p s THR 83 CO -0.07 0.42 -0.03 -1.58 -0.69 0.00 0.00 174.62 172.67 1m6p s GLN 84 N -1.56 0.44 -0.04 4.92 0.74 -0.52 -4.22 119.66 119.42 1m6p s GLN 84 Ca 0.21 -0.07 -0.06 0.00 0.05 0.00 0.00 55.36 55.49 1m6p s GLN 84 Cb -0.12 -0.49 0.01 0.00 1.10 0.00 0.00 33.01 33.51 1m6p s GLN 84 CO 0.12 -0.02 0.16 0.96 -0.55 0.00 0.00 175.29 175.96 1m6p s ILE 85 N 0.48 0.03 0.10 -2.34 -5.25 -1.26 -0.00 121.20 112.95 1m6p s ILE 85 Ca -0.05 -0.23 -0.24 0.00 -0.99 0.00 0.00 60.65 59.14 1m6p s ILE 85 Cb -0.08 -0.30 0.07 0.00 2.95 0.00 0.00 42.46 45.09 1m6p s ILE 85 CO -0.01 -0.13 0.60 0.72 -1.79 0.00 0.00 174.94 174.34 1m6p s PHE 86 N -0.40 -0.54 0.12 1.37 -0.71 -0.85 -4.69 117.98 112.28 1m6p s PHE 86 Ca -0.05 0.51 0.02 0.00 -1.04 0.00 0.00 56.93 56.38 1m6p s PHE 86 Cb -0.03 0.48 -0.04 0.00 -1.21 0.00 0.00 43.02 42.22 1m6p s PHE 86 CO 0.01 -0.76 -0.07 1.14 -1.34 0.00 0.00 175.22 174.20 1m6p s GLN 87 N -3.00 0.92 0.00 1.99 -2.07 -1.26 -0.20 119.66 116.03 1m6p s GLN 87 Ca -0.02 -1.38 0.00 0.00 -1.82 0.00 0.00 55.36 52.13 1m6p s GLN 87 Cb -0.01 -0.31 0.00 0.00 -1.09 0.00 0.00 33.01 31.60 1m6p s GLN 87 CO -0.06 -0.01 0.00 0.41 -1.32 0.00 0.00 175.29 174.31 1m6p n GLY 88 N -0.10 5.87 0.26 2.60 0.00 -0.25 -5.00 105.19 108.58 1m6p n GLY 88 Ca -0.11 -1.91 -0.08 0.00 0.00 0.00 0.00 46.02 43.92 1m6p n GLY 88 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1m6p h SER 89 N 0.00 0.82 -0.24 1.61 4.64 -1.98 -3.35 113.55 115.04 1m6p h SER 89 Ca 0.00 -0.21 -0.22 0.00 -0.47 0.00 0.00 61.79 60.89 1m6p h SER 89 Cb 0.00 -0.21 -0.38 0.00 -0.31 0.00 0.00 62.40 61.49 1m6p h SER 89 CO 0.00 0.81 -1.05 -0.46 -0.87 0.00 0.00 176.83 175.26 1m6p n ASN 90 N -4.43 1.44 -3.47 4.97 6.94 -1.26 -3.74 115.26 115.71 1m6p n ASN 90 Ca 0.03 -2.14 -0.12 0.00 -0.02 0.00 0.00 54.58 52.33 1m6p n ASN 90 Cb 0.21 -0.40 -0.03 0.00 -2.36 0.00 0.00 39.78 37.20 1m6p n ASN 90 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1m6p s TRP 91 N -2.10 -0.49 -0.03 -2.53 1.48 -1.18 -1.55 118.94 112.53 1m6p s TRP 91 Ca 0.31 0.33 0.01 0.00 -1.06 0.00 0.00 56.10 55.69 1m6p s TRP 91 Cb 0.36 0.49 0.02 0.00 -1.16 0.00 0.00 33.47 33.17 1m6p s TRP 91 CO -0.10 -0.80 -0.04 0.42 -4.06 0.00 0.00 176.95 172.38 1m6p s ILE 92 N -3.49 0.44 -0.18 0.66 1.01 0.33 -1.09 121.20 118.87 1m6p s ILE 92 Ca 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 60.65 60.51 1m6p s ILE 92 Cb -0.00 -0.46 -0.02 0.00 0.01 0.00 0.00 42.46 41.99 1m6p s ILE 92 CO -0.11 0.19 -0.05 -0.32 0.00 0.00 0.00 174.94 174.65 1m6p s MET 93 N 0.70 3.51 -0.11 2.79 1.75 0.72 -0.52 119.30 128.14 1m6p s MET 93 Ca -0.09 -0.58 0.00 0.00 -1.25 0.00 0.00 55.69 53.77 1m6p s MET 93 Cb -0.12 -2.93 -0.02 0.00 2.84 0.00 0.00 34.83 34.60 1m6p s MET 93 CO -0.00 0.04 -0.11 -1.17 -0.65 0.00 0.00 175.02 173.13 1m6p s LEU 94 N 0.87 2.87 -0.09 4.11 2.96 -0.23 -2.01 118.68 127.16 1m6p s LEU 94 Ca -0.01 -0.22 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 1m6p s LEU 94 Cb -0.15 -1.64 0.02 0.00 0.50 0.00 0.00 46.19 44.93 1m6p s LEU 94 CO 0.01 0.24 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.55 1m6p s ILE 95 N -0.08 1.10 -0.28 6.68 1.01 1.00 -0.38 121.20 130.25 1m6p s ILE 95 Ca -0.01 -0.40 -0.06 0.00 0.00 0.00 0.00 60.65 60.18 1m6p s ILE 95 Cb -0.14 -1.05 0.01 0.00 0.01 0.00 0.00 42.46 41.29 1m6p s ILE 95 CO 0.03 0.36 0.04 -0.31 0.00 0.00 0.00 174.94 175.07 1m6p s TYR 96 N 1.11 3.12 0.29 3.97 2.02 -0.16 -1.44 117.35 126.25 1m6p s TYR 96 Ca -0.06 -1.07 0.04 0.00 -0.37 0.00 0.00 57.07 55.61 1m6p s TYR 96 Cb -0.14 -2.20 0.04 0.00 -0.40 0.00 0.00 41.96 39.26 1m6p s TYR 96 CO -0.02 -0.60 0.37 1.63 -1.57 0.00 0.00 175.55 175.36 1m6p n LYS 97 N 4.82 0.85 -2.24 -0.62 5.02 -0.29 -1.18 118.16 124.52 1m6p n LYS 97 Ca -0.15 -1.58 -0.08 0.00 -2.02 0.00 0.00 58.31 54.48 1m6p n LYS 97 Cb 0.48 -0.07 0.00 0.00 -0.02 0.00 0.00 35.03 35.42 1m6p n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1m6p n GLY 98 N 1.53 0.07 3.47 0.72 0.00 -1.24 -0.23 105.19 109.49 1m6p n GLY 98 Ca 0.07 -0.51 -0.26 0.00 0.00 0.00 0.00 46.02 45.31 1m6p n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m6p n GLY 99 N -1.02 -1.48 3.77 -0.02 0.00 -0.20 -4.12 105.19 102.12 1m6p n GLY 99 Ca -0.09 -1.70 -0.40 0.00 0.00 0.00 0.00 46.02 43.83 1m6p n GLY 99 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1m6p s ASP 100 N -5.37 6.63 0.46 1.61 1.01 0.56 -3.12 116.67 118.46 1m6p s ASP 100 Ca 0.68 2.64 -0.23 0.00 0.71 0.00 0.00 52.55 56.35 1m6p s ASP 100 Cb -0.02 -2.64 -0.07 0.00 1.01 0.00 0.00 42.92 41.20 1m6p s ASP 100 CO 0.48 -0.63 1.20 -1.61 0.21 0.00 0.00 175.17 174.82 1m6p s GLU 101 N -1.96 3.71 0.58 8.23 2.02 -1.26 -1.26 118.70 128.77 1m6p s GLU 101 Ca 0.52 1.86 -0.16 0.00 0.02 0.00 0.00 54.97 57.20 1m6p s GLU 101 Cb -0.38 -2.43 -0.04 0.00 0.10 0.00 0.00 34.13 31.38 1m6p s GLU 101 CO 0.50 -0.61 1.06 0.71 0.02 0.00 0.00 175.26 176.94 1m6p s TYR 102 N -1.49 2.96 -0.13 1.61 2.02 -0.90 -4.89 117.35 116.54 1m6p s TYR 102 Ca 0.64 1.52 0.18 0.00 -0.37 0.00 0.00 57.07 59.04 1m6p s TYR 102 Cb -0.31 -3.03 -0.23 0.00 -0.40 0.00 0.00 41.96 37.99 1m6p s TYR 102 CO 0.37 -1.12 0.46 -0.25 -1.57 0.00 0.00 175.55 173.44 1m6p n ASP 103 N -1.90 0.33 0.01 2.29 8.00 -1.26 -4.33 116.55 119.68 1m6p n ASP 103 Ca 0.09 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.73 1m6p n ASP 103 Cb 0.53 0.93 0.00 0.00 -0.02 0.00 0.00 41.12 42.56 1m6p n ASP 103 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1m6p n ASN 104 N -2.68 0.06 -4.80 -2.24 3.02 -1.26 -4.83 115.26 102.53 1m6p n ASN 104 Ca -0.17 0.02 -0.31 0.00 -0.03 0.00 0.00 54.58 54.09 1m6p n ASN 104 Cb 0.89 -0.01 0.07 0.00 -0.61 0.00 0.00 39.78 40.13 1m6p n ASN 104 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1m6p s HIS 105 N -2.00 2.91 -1.57 3.10 3.76 -1.26 -4.31 115.29 115.91 1m6p s HIS 105 Ca 0.00 1.36 -0.16 0.00 -0.15 0.00 0.00 55.06 56.11 1m6p s HIS 105 Cb 0.00 -2.99 0.13 0.00 1.11 0.00 0.00 32.58 30.83 1m6p s HIS 105 CO 0.00 -1.54 0.76 0.00 -0.85 0.00 0.00 174.74 173.11 1m6p n GLY 107 N -1.39 0.12 2.44 0.00 0.00 -1.23 -1.88 105.19 103.25 1m6p n GLY 107 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 1m6p n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m6p n ARG 108 N -2.82 -1.91 -2.05 1.61 1.74 -0.07 -4.97 116.66 108.18 1m6p n ARG 108 Ca -0.23 1.01 -0.32 0.00 -0.77 0.00 0.00 57.85 57.54 1m6p n ARG 108 Cb 0.68 -5.68 0.00 0.00 -1.02 0.00 0.00 32.46 26.43 1m6p n ARG 108 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1m6p s GLU 109 N -5.09 3.54 0.51 5.56 -1.05 -0.79 -4.09 118.70 117.29 1m6p s GLU 109 Ca 0.02 0.97 -0.23 0.00 -0.15 0.00 0.00 54.97 55.58 1m6p s GLU 109 Cb -0.01 -2.07 -0.06 0.00 -0.44 0.00 0.00 34.13 31.55 1m6p s GLU 109 CO 0.03 -0.61 1.38 1.04 0.95 0.00 0.00 175.26 178.05 1m6p n GLN 110 N -2.21 1.90 -1.16 -4.83 6.02 -1.26 -2.12 117.38 113.71 1m6p n GLN 110 Ca 0.07 0.69 -0.29 0.00 -0.01 0.00 0.00 57.00 57.46 1m6p n GLN 110 Cb 0.54 -2.59 0.17 0.00 1.02 0.00 0.00 30.24 29.37 1m6p n GLN 110 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1m6p s ARG 111 N -2.71 0.66 -0.15 -1.09 0.52 -0.39 -4.69 118.95 111.11 1m6p s ARG 111 Ca 0.68 0.63 -0.17 0.00 -0.52 0.00 0.00 55.73 56.35 1m6p s ARG 111 Cb -0.43 -1.76 0.04 0.00 0.52 0.00 0.00 34.95 33.33 1m6p s ARG 111 CO 0.52 -2.60 0.45 0.50 0.02 0.00 0.00 175.30 174.19 1m6p s ARG 112 N -4.94 0.58 -0.15 3.54 3.52 -0.59 -1.03 118.95 119.87 1m6p s ARG 112 Ca 0.65 0.51 -0.00 0.00 -0.13 0.00 0.00 55.73 56.75 1m6p s ARG 112 Cb -0.19 0.28 -0.01 0.00 -1.56 0.00 0.00 34.95 33.47 1m6p s ARG 112 CO 0.58 -0.09 -0.13 0.00 -0.81 0.00 0.00 175.30 174.84 1m6p s ALA 113 N -0.03 2.59 -0.22 6.12 0.00 -0.32 -1.26 121.76 128.64 1m6p s ALA 113 Ca -0.02 -0.99 -0.02 0.00 0.00 0.00 0.00 51.96 50.92 1m6p s ALA 113 Cb -0.03 -1.28 0.01 0.00 0.00 0.00 0.00 23.12 21.81 1m6p s ALA 113 CO 0.02 0.04 -0.08 0.08 0.00 0.00 0.00 175.76 175.81 1m6p s VAL 114 N 0.70 2.97 -0.23 0.00 1.01 0.20 -0.99 120.40 124.07 1m6p s VAL 114 Ca -0.06 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 1m6p s VAL 114 Cb -0.15 -2.38 0.01 0.00 0.00 0.00 0.00 36.38 33.86 1m6p s VAL 114 CO 0.02 0.38 -0.07 -0.69 0.00 0.00 0.00 175.10 174.74 1m6p s VAL 115 N 1.40 2.96 -0.39 2.92 1.01 0.49 -0.70 120.40 128.08 1m6p s VAL 115 Ca 0.04 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 61.04 1m6p s VAL 115 Cb -0.15 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.84 1m6p s VAL 115 CO -0.06 0.34 0.49 -0.32 0.00 0.00 0.00 175.10 175.55 1m6p s MET 116 N 1.38 3.36 -0.37 2.72 1.75 -0.03 -1.07 119.30 127.04 1m6p s MET 116 Ca 0.03 -0.45 -0.12 0.00 -1.25 0.00 0.00 55.69 53.90 1m6p s MET 116 Cb -0.15 -3.89 0.02 0.00 2.84 0.00 0.00 34.83 33.64 1m6p s MET 116 CO -0.05 -0.77 0.24 0.42 -0.65 0.00 0.00 175.02 174.20 1m6p s ILE 117 N 2.34 4.90 0.14 10.11 1.01 0.32 -1.75 121.20 138.26 1m6p s ILE 117 Ca 0.16 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.16 1m6p s ILE 117 Cb -0.16 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1m6p s ILE 117 CO 0.14 -0.20 0.30 -0.44 0.00 0.00 0.00 174.94 174.75 1m6p s SER 118 N 1.63 6.37 0.22 3.58 0.01 -0.35 -0.52 113.70 124.64 1m6p s SER 118 Ca 0.04 0.29 -0.30 0.00 1.31 0.00 0.00 55.95 57.29 1m6p s SER 118 Cb -0.19 -1.97 -0.10 0.00 0.21 0.00 0.00 66.02 63.98 1m6p s SER 118 CO 0.08 0.06 1.45 0.00 0.41 0.00 0.00 173.24 175.24 1m6p s ASN 120 N 0.55 0.70 0.44 0.00 3.84 -1.01 -4.78 114.94 114.69 1m6p s ASN 120 Ca 0.61 -0.24 0.30 0.00 0.21 0.00 0.00 52.86 53.74 1m6p s ASN 120 Cb -0.41 0.92 1.61 0.00 -0.55 0.00 0.00 41.25 42.81 1m6p s ASN 120 CO 0.40 -0.34 1.92 0.03 -2.79 0.00 0.00 177.10 176.31 1m6p h ARG 121 N 8.20 0.00 -0.01 0.43 -0.00 -1.90 -2.44 114.38 118.67 1m6p h ARG 121 Ca -0.14 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.34 1m6p h ARG 121 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.09 1m6p h ARG 121 CO 0.28 0.00 -0.20 0.72 0.00 0.00 0.00 179.97 180.78 1m6p n HIS 122 N -2.55 0.00 -3.61 3.04 8.25 -1.26 -4.91 115.22 114.17 1m6p n HIS 122 Ca -0.02 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.28 1m6p n HIS 122 Cb 0.06 -0.10 -0.07 0.00 1.12 0.00 0.00 29.99 31.00 1m6p n HIS 122 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1m6p s THR 123 N -2.40 0.02 0.17 1.59 -1.32 -1.11 -5.01 115.64 107.57 1m6p s THR 123 Ca 0.27 -0.16 -0.04 0.00 -1.21 0.00 0.00 61.69 60.55 1m6p s THR 123 Cb 0.20 -0.86 -0.10 0.00 -1.51 0.00 0.00 72.50 70.23 1m6p s THR 123 CO 0.48 -0.09 1.43 0.25 -2.21 0.00 0.00 174.62 174.48 1m6p h LEU 124 N 3.42 0.60 -7.00 9.08 5.85 -1.90 0.22 115.31 125.59 1m6p h LEU 124 Ca -0.28 -0.37 0.13 0.00 0.84 0.00 0.00 57.88 58.19 1m6p h LEU 124 Cb 1.15 -0.18 -0.28 0.00 0.37 0.00 0.00 40.66 41.73 1m6p h LEU 124 CO 0.38 1.12 0.46 0.00 -0.34 0.00 0.00 178.44 180.06 1m6p s ALA 125 N -3.74 -2.31 0.09 1.25 0.00 -1.26 -3.77 121.76 112.02 1m6p s ALA 125 Ca -0.07 2.13 -0.27 0.00 0.00 0.00 0.00 51.96 53.76 1m6p s ALA 125 Cb 0.10 -1.74 0.09 0.00 0.00 0.00 0.00 23.12 21.58 1m6p s ALA 125 CO 0.85 -0.33 1.11 0.34 0.00 0.00 0.00 175.76 177.74 1m6p s ASP 126 N 1.18 -0.09 -1.29 0.00 -1.08 -0.84 -4.99 116.67 109.56 1m6p s ASP 126 Ca -0.08 -0.35 -0.04 0.00 -0.52 0.00 0.00 52.55 51.57 1m6p s ASP 126 Cb -0.04 0.35 0.01 0.00 -1.46 0.00 0.00 42.92 41.79 1m6p s ASP 126 CO -0.13 -0.66 1.00 0.59 0.52 0.00 0.00 175.17 176.48 1m6p n ASN 127 N -0.67 -3.33 -4.67 -0.34 3.02 -1.26 -0.59 115.26 107.42 1m6p n ASN 127 Ca -0.06 -0.65 -0.42 0.00 -0.03 0.00 0.00 54.58 53.43 1m6p n ASN 127 Cb 0.61 -4.82 -0.03 0.00 -0.61 0.00 0.00 39.78 34.94 1m6p n ASN 127 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1m6p s PHE 128 N -3.40 2.58 -0.06 3.10 5.36 -1.26 -4.14 117.98 120.17 1m6p s PHE 128 Ca 0.22 0.66 -0.02 0.00 -0.96 0.00 0.00 56.93 56.83 1m6p s PHE 128 Cb -0.10 -3.72 0.03 0.00 -0.34 0.00 0.00 43.02 38.89 1m6p s PHE 128 CO 0.75 -2.76 0.03 1.21 -1.46 0.00 0.00 175.22 173.00 1m6p s ASN 129 N 2.35 1.39 0.07 6.13 3.04 0.88 -4.82 114.94 123.98 1m6p s ASN 129 Ca 0.65 -0.02 -0.31 0.00 0.04 0.00 0.00 52.86 53.23 1m6p s ASN 129 Cb -0.30 -0.29 -0.07 0.00 -1.54 0.00 0.00 41.25 39.05 1m6p s ASN 129 CO 0.25 -0.23 1.42 -2.84 -3.04 0.00 0.00 177.10 172.66 1m6p s PRO 130 N 2.07 4.30 -0.26 0.43 0.02 -1.26 -1.24 135.00 139.06 1m6p s PRO 130 Ca 0.05 2.06 -0.16 0.00 0.02 0.00 0.00 61.00 62.97 1m6p s PRO 130 Cb -0.12 -3.40 -0.14 0.00 0.02 0.00 0.00 34.50 30.86 1m6p s PRO 130 CO -0.04 -0.51 -0.17 0.28 -0.33 0.00 0.00 177.00 176.22 1m6p n VAL 131 N 4.27 1.53 -3.63 3.83 0.31 0.82 -4.94 118.33 120.52 1m6p n VAL 131 Ca 0.12 -0.26 -0.01 0.00 -0.01 0.00 0.00 64.34 64.19 1m6p n VAL 131 Cb 0.43 -1.94 -0.01 0.00 -0.91 0.00 0.00 33.84 31.41 1m6p n VAL 131 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1m6p s SER 132 N -7.27 -0.10 -0.06 4.52 1.04 -1.02 -4.99 113.70 105.82 1m6p s SER 132 Ca -0.35 -0.14 0.04 0.00 0.48 0.00 0.00 55.95 55.98 1m6p s SER 132 Cb 0.12 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1m6p s SER 132 CO 0.52 -0.37 -0.17 -0.70 0.98 0.00 0.00 173.24 173.50 1m6p s GLU 133 N -2.55 1.98 -0.38 4.02 2.12 -1.26 0.39 118.70 123.01 1m6p s GLU 133 Ca 0.13 -0.62 -0.04 0.00 0.36 0.00 0.00 54.97 54.80 1m6p s GLU 133 Cb 0.03 -1.65 0.09 0.00 0.26 0.00 0.00 34.13 32.85 1m6p s GLU 133 CO -0.03 0.20 0.16 -2.00 -0.54 0.00 0.00 175.26 173.04 1m6p s GLU 134 N 0.20 2.25 -0.10 4.30 2.56 0.64 -4.88 118.70 123.68 1m6p s GLU 134 Ca -0.08 -1.58 0.13 0.00 0.00 0.00 0.00 54.97 53.44 1m6p s GLU 134 Cb -0.13 -3.52 0.26 0.00 2.00 0.00 0.00 34.13 32.74 1m6p s GLU 134 CO 0.04 -0.92 1.13 2.89 -0.56 0.00 0.00 175.26 177.84 1m6p n ARG 135 N 4.67 0.86 -0.71 4.30 1.85 -1.26 -1.55 116.66 124.83 1m6p n ARG 135 Ca -0.07 -2.25 -0.01 0.00 -1.00 0.00 0.00 57.85 54.52 1m6p n ARG 135 Cb 0.42 -1.09 0.23 0.00 -1.05 0.00 0.00 32.46 30.97 1m6p n ARG 135 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1m6p n GLY 136 N -0.77 4.47 3.45 2.89 0.00 -1.26 -4.42 105.19 109.55 1m6p n GLY 136 Ca 0.11 -1.13 -0.23 0.00 0.00 0.00 0.00 46.02 44.77 1m6p n GLY 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m6p s LYS 137 N -3.08 1.62 0.51 1.61 1.02 -1.26 -5.03 119.74 115.13 1m6p s LYS 137 Ca 0.45 -1.76 0.30 0.00 0.02 0.00 0.00 55.97 54.99 1m6p s LYS 137 Cb 0.39 -1.60 1.03 0.00 -0.52 0.00 0.00 37.83 37.12 1m6p s LYS 137 CO 0.05 0.26 1.86 -0.39 -0.92 0.00 0.00 175.35 176.21 1m6p h VAL 138 N 2.30 0.00 -2.46 3.17 -1.51 -1.94 -3.29 116.25 112.52 1m6p h VAL 138 Ca -0.40 -0.66 0.14 0.00 -1.23 0.00 0.00 66.70 64.55 1m6p h VAL 138 Cb 1.25 1.66 -0.09 0.00 -2.13 0.00 0.00 31.29 31.97 1m6p h VAL 138 CO 0.62 0.00 0.43 0.00 -1.23 0.00 0.00 177.57 177.39 1m6p s GLN 139 N -3.51 1.21 -1.02 5.19 -2.07 -1.26 -3.54 119.66 114.65 1m6p s GLN 139 Ca 0.03 -0.62 -0.07 0.00 -1.82 0.00 0.00 55.36 52.89 1m6p s GLN 139 Cb 0.08 0.44 0.01 0.00 -1.09 0.00 0.00 33.01 32.45 1m6p s GLN 139 CO 0.58 -0.55 0.89 -0.25 -1.32 0.00 0.00 175.29 174.65 1m6p n ASP 140 N -0.42 -5.21 -4.90 12.60 8.00 -1.26 -5.03 116.55 120.33 1m6p n ASP 140 Ca -0.07 -0.41 -0.28 0.00 0.71 0.00 0.00 54.79 54.73 1m6p n ASP 140 Cb 0.61 -3.94 0.07 0.00 -0.02 0.00 0.00 41.12 37.85 1m6p n ASP 140 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1m6p s PHE 142 N -3.44 -0.12 -0.10 0.00 -0.71 -0.59 -4.66 117.98 108.35 1m6p s PHE 142 Ca 0.60 0.04 -0.01 0.00 -1.04 0.00 0.00 56.93 56.52 1m6p s PHE 142 Cb -0.11 0.53 -0.03 0.00 -1.21 0.00 0.00 43.02 42.20 1m6p s PHE 142 CO 0.48 -0.27 -0.03 0.71 -1.34 0.00 0.00 175.22 174.77 1m6p s TYR 143 N -2.50 3.05 -0.08 3.49 1.51 -0.39 -0.26 117.35 122.16 1m6p s TYR 143 Ca 0.10 0.00 0.03 0.00 -1.01 0.00 0.00 57.07 56.20 1m6p s TYR 143 Cb 0.00 -1.81 -0.02 0.00 -0.11 0.00 0.00 41.96 40.03 1m6p s TYR 143 CO -0.05 0.28 -0.17 -1.17 -1.11 0.00 0.00 175.55 173.34 1m6p s LEU 144 N -0.51 2.52 0.15 -1.29 1.98 0.16 -0.63 118.68 121.06 1m6p s LEU 144 Ca 0.08 -0.35 0.02 0.00 -2.89 0.00 0.00 54.13 51.00 1m6p s LEU 144 Cb -0.12 -1.52 -0.04 0.00 0.66 0.00 0.00 46.19 45.17 1m6p s LEU 144 CO 0.02 0.24 -0.04 -0.36 -1.89 0.00 0.00 176.35 174.32 1m6p s PHE 145 N -0.13 1.14 0.03 5.38 0.40 0.12 -0.13 117.98 124.79 1m6p s PHE 145 Ca -0.02 -0.93 -0.00 0.00 -0.60 0.00 0.00 56.93 55.38 1m6p s PHE 145 Cb -0.14 -0.64 -0.03 0.00 0.51 0.00 0.00 43.02 42.73 1m6p s PHE 145 CO 0.04 -0.12 -0.03 -1.21 0.70 0.00 0.00 175.22 174.59 1m6p s GLU 146 N -3.85 0.40 0.14 0.44 2.02 -0.37 -0.85 118.70 116.63 1m6p s GLU 146 Ca 0.19 -0.77 -0.24 0.00 0.02 0.00 0.00 54.97 54.18 1m6p s GLU 146 Cb 0.05 0.10 0.07 0.00 0.10 0.00 0.00 34.13 34.45 1m6p s GLU 146 CO 0.01 -0.06 0.63 0.00 0.02 0.00 0.00 175.26 175.87 1m6p s MET 147 N -2.04 1.23 0.08 1.61 0.23 -0.72 -0.08 119.30 119.61 1m6p s MET 147 Ca -0.10 -0.46 0.01 0.00 -1.03 0.00 0.00 55.69 54.11 1m6p s MET 147 Cb -0.06 0.57 -0.04 0.00 -1.53 0.00 0.00 34.83 33.77 1m6p s MET 147 CO -0.03 -0.54 0.19 -0.51 -2.03 0.00 0.00 175.02 172.10 1m6p s ASP 148 N -2.72 6.17 -0.29 -1.18 1.01 0.24 -1.21 116.67 118.70 1m6p s ASP 148 Ca 0.02 0.19 -0.20 0.00 0.71 0.00 0.00 52.55 53.27 1m6p s ASP 148 Cb -0.01 -1.85 0.14 0.00 1.01 0.00 0.00 42.92 42.21 1m6p s ASP 148 CO -0.12 0.15 1.03 -0.55 0.21 0.00 0.00 175.17 175.88 1m6p s SER 149 N -2.60 -0.46 0.52 0.27 0.15 -0.65 -1.99 113.70 108.95 1m6p s SER 149 Ca 0.34 0.79 0.30 0.00 0.70 0.00 0.00 55.95 58.08 1m6p s SER 149 Cb -0.12 1.02 1.32 0.00 -1.71 0.00 0.00 66.02 66.53 1m6p s SER 149 CO 0.27 -0.13 1.98 0.77 1.20 0.00 0.00 173.24 177.33 1m6p h SER 150 N 5.19 0.00 0.37 5.45 4.64 -0.06 -2.29 113.55 126.86 1m6p h SER 150 Ca -0.28 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1m6p h SER 150 Cb 1.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1m6p h SER 150 CO 0.16 0.10 -0.01 -0.07 -0.87 0.00 0.00 176.83 176.14 1m6p h LEU 151 N 0.00 0.00 -0.20 5.97 3.38 -1.83 -0.96 115.31 121.67 1m6p h LEU 151 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1m6p h LEU 151 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1m6p h LEU 151 CO 0.01 0.01 -0.15 0.00 0.09 0.00 0.00 178.44 178.40 1m6p n ALA 152 N -2.10 2.83 -2.00 1.53 0.00 -0.89 -4.87 120.51 115.00 1m6p n ALA 152 Ca -0.02 -0.27 -0.39 0.00 0.00 0.00 0.00 53.44 52.76 1m6p n ALA 152 Cb 0.16 -1.31 -0.06 0.00 0.00 0.00 0.00 19.45 18.24 1m6p n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50