#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9e s GLU 2 N 0.00 4.26 -0.04 2.12 -6.30 -1.26 -4.72 118.70 112.76 3i9e s GLU 2 Ca 0.00 0.83 0.04 0.00 -2.50 0.00 0.00 54.97 53.34 3i9e s GLU 2 Cb 0.00 -3.08 -0.00 0.00 0.00 0.00 0.00 34.13 31.05 3i9e s GLU 2 CO 0.00 0.52 -0.15 0.71 0.02 0.00 0.00 175.26 176.36 3i9e s TYR 3 N -1.30 1.54 0.06 5.30 1.51 -1.23 -5.07 117.35 118.15 3i9e s TYR 3 Ca 0.36 -0.45 0.06 0.00 -1.01 0.00 0.00 57.07 56.03 3i9e s TYR 3 Cb -0.19 -1.06 -0.04 0.00 -0.11 0.00 0.00 41.96 40.57 3i9e s TYR 3 CO 0.21 -0.17 -0.11 1.03 -1.11 0.00 0.00 175.55 175.41 3i9e s ARG 4 N 0.14 2.27 0.00 -0.62 0.52 -1.26 -0.55 118.95 119.45 3i9e s ARG 4 Ca -0.05 -0.91 0.00 0.00 -0.52 0.00 0.00 55.73 54.25 3i9e s ARG 4 Cb -0.11 -2.35 0.00 0.00 0.52 0.00 0.00 34.95 33.01 3i9e s ARG 4 CO 0.02 0.55 0.00 -0.11 0.02 0.00 0.00 175.30 175.78 3i9e n LEU 5 N 1.18 0.98 0.00 2.53 -0.00 -1.26 -4.85 117.00 115.58 3i9e n LEU 5 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.86 3i9e n LEU 5 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 3i9e n LEU 5 CO 0.31 0.16 0.00 0.29 -0.00 0.00 0.00 177.39 178.15 3i9e n LYS 6 N -1.79 0.00 -0.64 1.96 5.02 0.56 -4.87 118.16 118.40 3i9e n LYS 6 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 3i9e n LYS 6 Cb 0.18 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.17 3i9e n LYS 6 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i9e n ALA 7 N 0.35 -1.34 -3.19 7.82 0.00 -1.26 -0.36 120.51 122.52 3i9e n ALA 7 Ca 0.00 0.30 -0.13 0.00 0.00 0.00 0.00 53.44 53.61 3i9e n ALA 7 Cb 0.00 -0.80 -0.09 0.00 0.00 0.00 0.00 19.45 18.56 3i9e n ALA 7 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3i9e s TYR 8 N -4.12 -0.13 1.09 0.00 4.12 -1.19 -4.00 117.35 113.12 3i9e s TYR 8 Ca 0.00 0.21 -0.12 0.00 0.02 0.00 0.00 57.07 57.18 3i9e s TYR 8 Cb 0.00 0.06 0.24 0.00 -1.52 0.00 0.00 41.96 40.74 3i9e s TYR 8 CO 0.00 -0.33 1.06 0.71 0.02 0.00 0.00 175.55 177.00 3i9e s TYR 9 N -1.17 1.64 0.04 2.71 4.12 -1.26 -2.43 117.35 120.99 3i9e s TYR 9 Ca -0.12 1.16 -0.25 0.00 0.02 0.00 0.00 57.07 57.88 3i9e s TYR 9 Cb -0.06 -3.16 0.06 0.00 -1.52 0.00 0.00 41.96 37.28 3i9e s TYR 9 CO 0.03 -3.46 0.57 0.50 0.02 0.00 0.00 175.55 173.22 3i9e s ARG 10 N -4.65 1.08 0.00 -0.62 3.00 0.20 -4.76 118.95 113.20 3i9e s ARG 10 Ca 0.67 -0.14 0.00 0.00 -1.00 0.00 0.00 55.73 55.26 3i9e s ARG 10 Cb -0.23 0.50 0.00 0.00 0.00 0.00 0.00 34.95 35.22 3i9e s ARG 10 CO 0.62 -0.39 0.00 -1.91 0.00 0.00 0.00 175.30 173.61 3i9e n GLU 11 N 0.41 0.00 0.00 5.12 4.07 -1.26 -4.39 120.64 124.59 3i9e n GLU 11 Ca -0.18 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.92 3i9e n GLU 11 Cb 0.60 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.98 3i9e n GLU 11 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3i9e n GLY 12 N 3.08 1.22 1.80 8.31 0.00 -1.26 -5.05 105.19 113.30 3i9e n GLY 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i9e n GLY 12 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i9e n GLU 13 N 0.00 -1.02 -1.68 1.61 1.02 -1.26 -4.69 120.64 114.62 3i9e n GLU 13 Ca 0.00 0.73 -0.47 0.00 -0.02 0.00 0.00 57.16 57.40 3i9e n GLU 13 Cb 0.00 -1.25 -0.04 0.00 -0.02 0.00 0.00 31.44 30.13 3i9e n GLU 13 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3i9e n LYS 14 N 1.75 2.28 -0.29 3.49 4.76 -1.26 -4.81 118.16 124.07 3i9e n LYS 14 Ca 0.00 0.83 0.10 0.00 -2.87 0.00 0.00 58.31 56.37 3i9e n LYS 14 Cb 0.00 -2.67 0.24 0.00 -1.84 0.00 0.00 35.03 30.76 3i9e n LYS 14 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 3i9e h PRO 15 N 8.52 0.14 -0.70 1.97 0.11 -2.00 0.72 132.00 140.75 3i9e h PRO 15 Ca -0.48 -0.01 0.19 0.00 0.11 0.00 0.00 66.00 65.82 3i9e h PRO 15 Cb 1.26 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 3i9e h PRO 15 CO 0.93 0.09 0.50 0.66 -0.21 0.00 0.00 178.00 179.98 3i9e h SER 16 N 0.15 0.06 0.41 -2.05 4.64 -1.97 0.40 113.55 115.18 3i9e h SER 16 Ca 0.50 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.81 3i9e h SER 16 Cb 0.98 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3i9e h SER 16 CO -0.69 0.03 -0.19 0.00 -0.87 0.00 0.00 176.83 175.10 3i9e h ALA 17 N 1.65 -0.99 -0.24 5.18 0.00 0.11 0.29 119.26 125.26 3i9e h ALA 17 Ca 0.34 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.19 3i9e h ALA 17 Cb 1.26 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 19.18 3i9e h ALA 17 CO -0.02 -0.95 -0.34 -0.07 0.00 0.00 0.00 179.25 177.87 3i9e h LEU 18 N -0.62 -1.08 -1.21 0.00 4.07 -1.29 0.43 115.31 115.60 3i9e h LEU 18 Ca -0.06 0.17 0.30 0.00 0.08 0.00 0.00 57.88 58.38 3i9e h LEU 18 Cb 0.42 0.48 -0.12 0.00 1.08 0.00 0.00 40.66 42.52 3i9e h LEU 18 CO 0.09 -0.35 0.66 -0.09 -1.08 0.00 0.00 178.44 177.67 3i9e h ARG 19 N -0.35 0.36 0.00 1.13 2.43 0.27 1.22 114.38 119.44 3i9e h ARG 19 Ca 0.12 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3i9e h ARG 19 Cb 0.55 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3i9e h ARG 19 CO -0.44 0.24 0.00 -2.13 -1.51 0.00 0.00 179.97 176.13 3i9e n ARG 20 N -4.79 0.22 -0.85 0.20 0.00 0.14 -2.89 116.66 108.69 3i9e n ARG 20 Ca 0.29 0.23 0.07 0.00 -0.00 0.00 0.00 57.85 58.45 3i9e n ARG 20 Cb 0.97 -1.78 0.39 0.00 0.00 0.00 0.00 32.46 32.04 3i9e n ARG 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i9e n ALA 21 N -1.75 3.78 -1.00 5.13 0.00 0.42 -4.92 120.51 122.17 3i9e n ALA 21 Ca 0.05 -1.95 0.00 0.00 0.00 0.00 0.00 53.44 51.54 3i9e n ALA 21 Cb 0.38 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3i9e n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i9e n GLY 22 N 0.54 0.75 3.55 0.00 0.00 -1.08 -5.02 105.19 103.93 3i9e n GLY 22 Ca 0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 3i9e n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i9e s LYS 23 N -0.00 3.23 -0.46 1.61 -0.14 -0.99 -0.86 119.74 122.13 3i9e s LYS 23 Ca 0.00 -0.52 -0.16 0.00 -1.36 0.00 0.00 55.97 53.93 3i9e s LYS 23 Cb 0.00 -2.77 0.06 0.00 -1.68 0.00 0.00 37.83 33.44 3i9e s LYS 23 CO 0.00 0.46 0.42 -1.17 -0.76 0.00 0.00 175.35 174.30 3i9e s LEU 24 N -0.24 5.36 0.93 3.17 2.96 -0.21 -2.17 118.68 128.48 3i9e s LEU 24 Ca 0.04 -1.12 -0.13 0.00 -0.22 0.00 0.00 54.13 52.69 3i9e s LEU 24 Cb -0.13 -2.24 0.02 0.00 0.50 0.00 0.00 46.19 44.34 3i9e s LEU 24 CO 0.02 -0.65 0.34 -2.65 -1.32 0.00 0.00 176.35 172.10 3i9e n PRO 25 N 5.40 -0.22 0.00 0.98 -0.02 -1.26 -2.71 135.00 137.16 3i9e n PRO 25 Ca -0.11 -0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 3i9e n PRO 25 Cb 0.45 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 3i9e n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i9e n GLY 26 N 1.63 1.13 3.81 -1.23 0.00 -1.20 -1.81 105.19 107.51 3i9e n GLY 26 Ca 0.06 -0.51 -0.07 0.00 0.00 0.00 0.00 46.02 45.51 3i9e n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i9e s VAL 27 N -1.77 0.00 -0.04 1.61 0.11 0.24 -2.68 120.40 117.87 3i9e s VAL 27 Ca 0.00 -0.87 0.01 0.00 -2.93 0.00 0.00 61.98 58.20 3i9e s VAL 27 Cb 0.00 -1.90 0.02 0.00 -1.53 0.00 0.00 36.38 32.97 3i9e s VAL 27 CO 0.00 0.00 -0.05 -0.04 -3.33 0.00 0.00 175.10 171.68 3i9e s MET 28 N -3.83 0.80 0.08 1.54 -1.94 -0.62 0.29 119.30 115.62 3i9e s MET 28 Ca 0.10 -0.14 -0.26 0.00 -1.71 0.00 0.00 55.69 53.69 3i9e s MET 28 Cb -0.05 -0.79 0.09 0.00 2.01 0.00 0.00 34.83 36.09 3i9e s MET 28 CO 0.05 -0.03 0.74 1.52 -0.01 0.00 0.00 175.02 177.28 3i9e s TYR 29 N 0.70 -0.45 0.00 -0.03 -0.85 -1.06 0.48 117.35 116.14 3i9e s TYR 29 Ca -0.09 0.29 0.00 0.00 -0.52 0.00 0.00 57.07 56.75 3i9e s TYR 29 Cb -0.13 0.55 0.00 0.00 0.38 0.00 0.00 41.96 42.76 3i9e s TYR 29 CO 0.00 -0.70 0.00 0.27 -1.52 0.00 0.00 175.55 173.61 3i9e n ASN 30 N -0.28 0.00 0.00 -0.18 6.94 0.16 -3.26 115.26 118.65 3i9e n ASN 30 Ca -0.13 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.43 3i9e n ASN 30 Cb 0.63 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.05 3i9e n ASN 30 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3i9e n ARG 31 N -0.72 0.00 -0.01 -3.83 1.74 -1.26 -1.22 116.66 111.35 3i9e n ARG 31 Ca 0.00 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.06 3i9e n ARG 31 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 3i9e n ARG 31 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3i9e n HIS 32 N -1.10 0.00 -3.57 -1.55 -0.00 -1.26 -5.08 115.22 102.66 3i9e n HIS 32 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.52 3i9e n HIS 32 Cb 0.00 -0.10 -0.02 0.00 -0.00 0.00 0.00 29.99 29.88 3i9e n HIS 32 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 3i9e s LEU 33 N -5.69 3.78 -0.30 2.41 2.96 -0.36 -5.12 118.68 116.37 3i9e s LEU 33 Ca -0.06 -0.35 -0.06 0.00 -0.22 0.00 0.00 54.13 53.44 3i9e s LEU 33 Cb 0.01 -2.50 0.19 0.00 0.50 0.00 0.00 46.19 44.38 3i9e s LEU 33 CO 0.08 -0.44 0.81 0.21 -1.32 0.00 0.00 176.35 175.70 3i9e s ASN 34 N -4.12 -0.97 0.04 3.68 3.84 -1.23 -0.66 114.94 115.53 3i9e s ASN 34 Ca 0.44 0.52 0.03 0.00 0.21 0.00 0.00 52.86 54.06 3i9e s ASN 34 Cb -0.08 1.78 -0.02 0.00 -0.55 0.00 0.00 41.25 42.38 3i9e s ASN 34 CO 0.29 -0.18 -0.09 -0.13 -2.79 0.00 0.00 177.10 174.20 3i9e s ARG 35 N 2.90 0.61 -0.46 0.43 0.52 0.18 -4.94 118.95 118.19 3i9e s ARG 35 Ca 0.12 -0.74 -0.28 0.00 -0.52 0.00 0.00 55.73 54.30 3i9e s ARG 35 Cb -0.12 -0.47 0.00 0.00 0.52 0.00 0.00 34.95 34.89 3i9e s ARG 35 CO -0.18 0.10 1.50 0.15 0.02 0.00 0.00 175.30 176.89 3i9e s LYS 36 N -1.43 3.39 0.00 3.54 1.02 -1.26 -1.59 119.74 123.42 3i9e s LYS 36 Ca -0.06 0.84 0.00 0.00 0.02 0.00 0.00 55.97 56.77 3i9e s LYS 36 Cb -0.09 -4.10 0.00 0.00 -0.52 0.00 0.00 37.83 33.12 3i9e s LYS 36 CO 0.01 -1.80 0.00 1.33 -0.92 0.00 0.00 175.35 173.97 3i9e n VAL 37 N 7.08 0.00 0.00 3.17 0.24 -1.09 0.61 118.33 128.34 3i9e n VAL 37 Ca 0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.46 3i9e n VAL 37 Cb 0.48 -0.54 0.00 0.00 -1.47 0.00 0.00 33.84 32.31 3i9e n VAL 37 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i9e n TYR 38 N -0.16 0.00 -2.43 6.34 0.18 -1.02 -3.24 117.16 116.84 3i9e n TYR 38 Ca 0.00 0.00 -0.25 0.00 1.88 0.00 0.00 57.90 59.53 3i9e n TYR 38 Cb 0.00 0.00 0.13 0.00 -0.38 0.00 0.00 39.34 39.09 3i9e n TYR 38 CO 0.00 0.00 0.00 0.14 -2.08 0.00 0.00 176.86 174.92 3i9e s VAL 39 N 0.00 2.07 -0.09 -3.48 -7.23 -1.10 -3.14 120.40 107.43 3i9e s VAL 39 Ca 0.00 -0.45 -0.22 0.00 -1.81 0.00 0.00 61.98 59.50 3i9e s VAL 39 Cb 0.00 -2.62 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 3i9e s VAL 39 CO 0.00 0.00 0.65 -0.62 -0.31 0.00 0.00 175.10 174.82 3i9e s ASP 40 N -4.80 6.90 0.08 4.85 -1.08 -1.26 -1.05 116.67 120.31 3i9e s ASP 40 Ca 0.69 1.08 -0.36 0.00 -0.52 0.00 0.00 52.55 53.43 3i9e s ASP 40 Cb -0.04 -2.38 -0.18 0.00 -1.46 0.00 0.00 42.92 38.85 3i9e s ASP 40 CO 0.47 -0.11 1.57 0.25 0.52 0.00 0.00 175.17 177.87 3i9e h LEU 41 N 6.92 -1.30 -0.92 -1.34 6.46 -1.28 -0.69 115.31 123.17 3i9e h LEU 41 Ca -0.40 0.09 0.08 0.00 -0.12 0.00 0.00 57.88 57.53 3i9e h LEU 41 Cb 1.19 0.41 -0.11 0.00 -0.73 0.00 0.00 40.66 41.41 3i9e h LEU 41 CO 0.76 -0.70 -0.54 0.52 -0.62 0.00 0.00 178.44 177.85 3i9e n VAL 42 N -5.59 -0.63 0.22 1.05 0.31 -1.25 -0.86 118.33 111.58 3i9e n VAL 42 Ca -0.13 2.25 -0.15 0.00 -0.01 0.00 0.00 64.34 66.30 3i9e n VAL 42 Cb 0.48 -2.78 -0.08 0.00 -0.91 0.00 0.00 33.84 30.55 3i9e n VAL 42 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3i9e h GLU 43 N 0.00 -0.57 -0.85 5.55 4.39 -1.90 -2.75 114.58 118.45 3i9e h GLU 43 Ca 0.15 0.04 0.22 0.00 0.34 0.00 0.00 59.36 60.10 3i9e h GLU 43 Cb 0.38 0.13 -0.14 0.00 -0.10 0.00 0.00 28.75 29.02 3i9e h GLU 43 CO -0.87 -0.38 0.20 0.35 -1.16 0.00 0.00 179.01 177.15 3i9e h PHE 44 N -0.59 0.29 0.05 4.33 3.04 -0.12 -0.43 116.94 123.50 3i9e h PHE 44 Ca -0.03 0.05 0.01 0.00 3.98 0.00 0.00 57.97 61.97 3i9e h PHE 44 Cb 0.50 0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.99 3i9e h PHE 44 CO -0.11 -0.20 -0.31 0.22 -2.02 0.00 0.00 178.31 175.88 3i9e h ASP 45 N 0.20 -0.95 -0.93 0.41 1.82 -0.70 0.86 116.42 117.12 3i9e h ASP 45 Ca 0.52 0.10 0.26 0.00 -0.39 0.00 0.00 57.03 57.52 3i9e h ASP 45 Cb 1.02 0.35 -0.14 0.00 0.68 0.00 0.00 39.33 41.24 3i9e h ASP 45 CO -0.65 -0.32 0.41 0.11 -1.61 0.00 0.00 179.24 177.19 3i9e h LYS 46 N -0.43 0.32 0.51 0.28 1.57 -1.00 -1.94 116.57 115.87 3i9e h LYS 46 Ca -0.00 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3i9e h LYS 46 Cb 0.44 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3i9e h LYS 46 CO -0.18 0.21 -0.24 0.28 -0.57 0.00 0.00 179.45 178.95 3i9e h VAL 47 N 0.33 0.00 -0.38 0.50 2.07 -0.56 -3.35 116.25 114.85 3i9e h VAL 47 Ca 0.62 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 3i9e h VAL 47 Cb 1.29 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3i9e h VAL 47 CO -0.59 0.00 0.14 0.15 0.02 0.00 0.00 177.57 177.29 3i9e h PHE 48 N -1.18 0.54 -1.05 1.57 3.04 -0.74 0.44 116.94 119.56 3i9e h PHE 48 Ca -0.07 -0.02 0.29 0.00 3.98 0.00 0.00 57.97 62.15 3i9e h PHE 48 Cb 0.52 -0.17 -0.06 0.00 2.56 0.00 0.00 35.95 38.80 3i9e h PHE 48 CO 0.00 0.43 0.73 0.00 -2.02 0.00 0.00 178.31 177.45 3i9e h ARG 49 N 0.54 0.15 0.00 1.11 2.47 -1.48 -0.79 114.38 116.38 3i9e h ARG 49 Ca 0.13 -0.01 -0.14 0.00 -1.26 0.00 0.00 59.98 58.70 3i9e h ARG 49 Cb 0.13 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.39 3i9e h ARG 49 CO -0.01 0.10 -1.14 1.04 0.56 0.00 0.00 179.97 180.51 3i9e n GLN 50 N -4.37 0.52 0.00 0.04 1.13 -0.38 -4.76 117.38 109.56 3i9e n GLN 50 Ca 0.23 0.45 0.00 0.00 -1.94 0.00 0.00 57.00 55.74 3i9e n GLN 50 Cb 1.02 -1.63 0.00 0.00 0.11 0.00 0.00 30.24 29.74 3i9e n GLN 50 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i9e n ALA 51 N -3.81 0.00 -2.23 -1.58 0.00 0.14 -4.90 120.51 108.12 3i9e n ALA 51 Ca -0.23 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.18 3i9e n ALA 51 Cb 0.53 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.00 3i9e n ALA 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i9e n SER 52 N 0.00 -4.40 -1.39 0.00 2.88 -0.36 -3.76 113.62 106.60 3i9e n SER 52 Ca 0.00 -0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 3i9e n SER 52 Cb 0.00 -2.81 0.00 0.00 -0.75 0.00 0.00 64.21 60.65 3i9e n SER 52 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3i9e n ILE 53 N -1.71 0.00 -0.01 2.46 -6.64 -1.26 -4.56 119.36 107.64 3i9e n ILE 53 Ca -0.01 0.00 -0.01 0.00 -1.77 0.00 0.00 62.75 60.96 3i9e n ILE 53 Cb 0.52 0.00 -0.01 0.00 -1.44 0.00 0.00 39.64 38.71 3i9e n ILE 53 CO 0.00 0.00 0.00 1.41 -1.77 0.00 0.00 176.55 176.19 3i9e n HIS 54 N -1.37 0.00 -4.64 4.28 8.25 -1.25 -4.45 115.22 116.04 3i9e n HIS 54 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 3i9e n HIS 54 Cb 0.15 -0.06 -0.15 0.00 1.12 0.00 0.00 29.99 31.05 3i9e n HIS 54 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3i9e s HIS 55 N -2.03 1.30 0.54 4.41 3.76 -1.26 -4.94 115.29 117.07 3i9e s HIS 55 Ca -0.01 -0.29 -0.21 0.00 -0.15 0.00 0.00 55.06 54.40 3i9e s HIS 55 Cb 0.00 -0.86 -0.05 0.00 1.11 0.00 0.00 32.58 32.78 3i9e s HIS 55 CO 0.05 -0.07 1.28 0.08 -0.85 0.00 0.00 174.74 175.22 3i9e s VAL 56 N -0.15 2.45 0.34 -0.90 1.01 -1.26 -4.74 120.40 117.15 3i9e s VAL 56 Ca 0.02 0.32 0.09 0.00 0.00 0.00 0.00 61.98 62.41 3i9e s VAL 56 Cb -0.07 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 3i9e s VAL 56 CO 0.00 -0.02 0.04 -0.63 0.00 0.00 0.00 175.10 174.50 3i9e s ILE 57 N -1.43 2.77 -0.02 2.22 1.09 0.10 -3.54 121.20 122.39 3i9e s ILE 57 Ca 0.71 -1.90 0.03 0.00 -1.10 0.00 0.00 60.65 58.39 3i9e s ILE 57 Cb -0.35 -2.84 -0.04 0.00 -1.06 0.00 0.00 42.46 38.17 3i9e s ILE 57 CO 0.41 -0.20 0.03 0.52 -0.10 0.00 0.00 174.94 175.59 3i9e n VAL 58 N -1.00 0.12 0.00 2.92 0.31 0.29 0.43 118.33 121.40 3i9e n VAL 58 Ca -0.04 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 3i9e n VAL 58 Cb 0.62 -0.47 0.00 0.00 -0.91 0.00 0.00 33.84 33.08 3i9e n VAL 58 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3i9e n LEU 59 N -1.93 0.00 0.00 7.52 4.77 -1.26 -2.83 117.00 123.27 3i9e n LEU 59 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3i9e n LEU 59 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3i9e n LEU 59 CO 0.06 0.00 0.00 -1.84 -1.33 0.00 0.00 177.39 174.28 3i9e n GLU 60 N 0.00 0.00 -0.64 3.23 0.28 -1.25 -0.33 120.64 121.93 3i9e n GLU 60 Ca 0.00 0.00 0.09 0.00 -0.16 0.00 0.00 57.16 57.09 3i9e n GLU 60 Cb 0.00 -0.15 -0.02 0.00 1.43 0.00 0.00 31.44 32.70 3i9e n GLU 60 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3i9e n LEU 61 N 0.00 0.00 0.00 -1.84 4.77 0.51 -2.90 117.00 117.54 3i9e n LEU 61 Ca 0.00 0.69 -0.01 0.00 -0.03 0.00 0.00 56.01 56.66 3i9e n LEU 61 Cb 0.00 -2.07 0.01 0.00 -2.33 0.00 0.00 43.42 39.03 3i9e n LEU 61 CO 0.00 -1.58 0.02 -2.65 -1.33 0.00 0.00 177.39 171.86 3i9e n PRO 62 N -2.41 0.44 -3.33 3.23 -0.02 -1.26 -4.40 135.00 127.25 3i9e n PRO 62 Ca 0.00 -0.10 -0.16 0.00 -2.02 0.00 0.00 63.50 61.23 3i9e n PRO 62 Cb 0.29 -0.03 0.08 0.00 -0.02 0.00 0.00 33.50 33.83 3i9e n PRO 62 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3i9e n ASP 63 N -3.01 -2.14 -3.28 2.55 2.03 -1.26 -3.48 116.55 107.96 3i9e n ASP 63 Ca 0.01 -0.57 -0.03 0.00 0.52 0.00 0.00 54.79 54.72 3i9e n ASP 63 Cb 0.02 -4.78 -0.00 0.00 -0.72 0.00 0.00 41.12 35.64 3i9e n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3i9e n GLY 64 N -1.14 -0.03 3.95 0.27 0.00 -1.26 -4.88 105.19 102.09 3i9e n GLY 64 Ca -0.26 0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 3i9e n GLY 64 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i9e s GLN 65 N -4.38 2.25 -0.40 1.61 -1.52 -1.14 -5.10 119.66 110.98 3i9e s GLN 65 Ca 0.02 -1.92 0.01 0.00 -1.95 0.00 0.00 55.36 51.52 3i9e s GLN 65 Cb -0.01 -2.27 0.26 0.00 -0.22 0.00 0.00 33.01 30.76 3i9e s GLN 65 CO 0.06 -0.74 1.07 0.43 -0.25 0.00 0.00 175.29 175.87 3i9e n SER 66 N -1.96 -2.04 -4.62 5.90 7.64 -1.22 -4.53 113.62 112.80 3i9e n SER 66 Ca 0.04 -2.43 -0.42 0.00 1.01 0.00 0.00 58.87 57.07 3i9e n SER 66 Cb 0.63 1.21 -0.05 0.00 -1.01 0.00 0.00 64.21 65.00 3i9e n SER 66 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3i9e s LEU 67 N -0.31 4.08 -0.45 -3.43 1.43 -1.13 -4.84 118.68 114.03 3i9e s LEU 67 Ca 0.29 0.79 -0.29 0.00 -1.03 0.00 0.00 54.13 53.88 3i9e s LEU 67 Cb 0.21 -3.10 0.03 0.00 0.03 0.00 0.00 46.19 43.35 3i9e s LEU 67 CO -0.15 -0.57 1.18 -2.16 0.23 0.00 0.00 176.35 174.87 3i9e s PRO 68 N 2.91 3.73 0.04 1.29 0.04 -1.26 -4.12 135.00 137.64 3i9e s PRO 68 Ca 0.33 0.68 0.08 0.00 0.04 0.00 0.00 61.00 62.13 3i9e s PRO 68 Cb -0.14 -3.91 -0.03 0.00 0.04 0.00 0.00 34.50 30.46 3i9e s PRO 68 CO 0.11 -1.37 -0.23 0.95 0.04 0.00 0.00 177.00 176.50 3i9e s THR 69 N 4.54 1.86 -0.32 1.26 -4.23 0.17 -2.03 115.64 116.88 3i9e s THR 69 Ca 0.50 -1.28 0.04 0.00 -1.18 0.00 0.00 61.69 59.77 3i9e s THR 69 Cb -0.09 -1.61 0.09 0.00 1.34 0.00 0.00 72.50 72.24 3i9e s THR 69 CO 0.30 0.27 0.01 -0.22 -0.54 0.00 0.00 174.62 174.45 3i9e s LEU 70 N -1.20 4.45 0.03 4.79 0.20 0.37 0.02 118.68 127.33 3i9e s LEU 70 Ca 0.09 -1.97 -0.37 0.00 0.69 0.00 0.00 54.13 52.57 3i9e s LEU 70 Cb -0.09 -1.61 -0.17 0.00 -0.43 0.00 0.00 46.19 43.89 3i9e s LEU 70 CO 0.02 -0.33 1.38 0.55 -0.29 0.00 0.00 176.35 177.67 3i9e n VAL 71 N 4.30 0.04 0.41 1.68 3.14 -1.26 -3.31 118.33 123.32 3i9e n VAL 71 Ca -0.01 -0.01 0.05 0.00 -2.96 0.00 0.00 64.34 61.41 3i9e n VAL 71 Cb 0.42 -0.82 0.01 0.00 -1.06 0.00 0.00 33.84 32.39 3i9e n VAL 71 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 3i9e n ARG 72 N 2.85 1.71 -3.64 1.45 0.63 -1.07 -4.33 116.66 114.25 3i9e n ARG 72 Ca 0.20 -0.70 -0.04 0.00 -0.92 0.00 0.00 57.85 56.40 3i9e n ARG 72 Cb 0.17 -1.09 -0.07 0.00 0.45 0.00 0.00 32.46 31.93 3i9e n ARG 72 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 3i9e s GLN 73 N -1.17 0.33 -0.19 -0.14 0.74 -1.25 -5.07 119.66 112.92 3i9e s GLN 73 Ca 0.08 0.49 0.00 0.00 0.05 0.00 0.00 55.36 55.99 3i9e s GLN 73 Cb 0.08 0.10 0.04 0.00 1.10 0.00 0.00 33.01 34.33 3i9e s GLN 73 CO 0.20 -0.06 -0.08 0.08 -0.55 0.00 0.00 175.29 174.89 3i9e s VAL 74 N 0.86 1.39 -0.51 1.34 1.01 -1.26 -2.58 120.40 120.64 3i9e s VAL 74 Ca -0.04 -0.85 -0.16 0.00 0.00 0.00 0.00 61.98 60.93 3i9e s VAL 74 Cb -0.04 -1.52 0.10 0.00 0.00 0.00 0.00 36.38 34.91 3i9e s VAL 74 CO -0.12 0.14 0.47 0.20 0.00 0.00 0.00 175.10 175.78 3i9e s ASN 75 N 1.50 6.17 0.27 3.32 0.02 -0.75 -5.03 114.94 120.45 3i9e s ASN 75 Ca -0.01 -1.52 0.02 0.00 -1.02 0.00 0.00 52.86 50.33 3i9e s ASN 75 Cb -0.16 -2.21 -0.03 0.00 0.02 0.00 0.00 41.25 38.87 3i9e s ASN 75 CO -0.08 -0.78 0.44 -1.48 0.02 0.00 0.00 177.10 175.23 3i9e s LEU 76 N 1.72 4.17 -0.49 0.60 2.34 -1.26 -1.93 118.68 123.84 3i9e s LEU 76 Ca 0.04 0.31 -0.27 0.00 0.06 0.00 0.00 54.13 54.28 3i9e s LEU 76 Cb -0.27 -3.12 -0.04 0.00 -0.56 0.00 0.00 46.19 42.20 3i9e s LEU 76 CO 0.05 -0.15 2.08 -0.62 -1.06 0.00 0.00 176.35 176.65 3i9e s ASP 77 N -3.76 5.09 0.12 1.48 2.15 0.39 -4.82 116.67 117.31 3i9e s ASP 77 Ca 0.38 0.90 -0.11 0.00 0.43 0.00 0.00 52.55 54.14 3i9e s ASP 77 Cb -0.10 -2.52 0.10 0.00 -0.30 0.00 0.00 42.92 40.10 3i9e s ASP 77 CO 0.32 -2.41 0.87 0.29 -0.17 0.00 0.00 175.17 174.06 3i9e n LYS 78 N 8.96 -0.16 0.00 4.34 4.76 -1.26 -0.57 118.16 134.23 3i9e n LYS 78 Ca 0.27 0.86 0.00 0.00 -2.87 0.00 0.00 58.31 56.57 3i9e n LYS 78 Cb 0.52 -1.27 0.00 0.00 -1.84 0.00 0.00 35.03 32.43 3i9e n LYS 78 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 3i9e n ARG 79 N -4.80 0.00 0.00 1.97 0.63 -1.26 -3.66 116.66 109.54 3i9e n ARG 79 Ca 0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 3i9e n ARG 79 Cb 0.21 -0.55 0.00 0.00 0.45 0.00 0.00 32.46 32.57 3i9e n ARG 79 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3i9e n ARG 80 N -0.08 0.12 -1.78 -0.14 1.74 -1.17 -4.85 116.66 110.50 3i9e n ARG 80 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 3i9e n ARG 80 Cb 0.00 -1.02 0.01 0.00 -1.02 0.00 0.00 32.46 30.43 3i9e n ARG 80 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3i9e n ARG 81 N -0.11 -0.52 -3.60 5.56 -4.01 0.26 -4.95 116.66 109.29 3i9e n ARG 81 Ca 0.00 0.37 -0.16 0.00 -1.04 0.00 0.00 57.85 57.02 3i9e n ARG 81 Cb 0.01 -0.55 -0.07 0.00 -3.04 0.00 0.00 32.46 28.82 3i9e n ARG 81 CO 0.00 0.00 0.00 0.50 -3.04 0.00 0.00 177.63 175.09 3i9e s ARG 82 N -0.84 0.91 0.44 2.89 3.52 -1.24 -4.93 118.95 119.70 3i9e s ARG 82 Ca 0.10 0.27 -0.25 0.00 -0.13 0.00 0.00 55.73 55.72 3i9e s ARG 82 Cb -0.01 0.43 -0.08 0.00 -1.56 0.00 0.00 34.95 33.73 3i9e s ARG 82 CO 0.24 -0.25 1.35 -2.14 -0.81 0.00 0.00 175.30 173.69 3i9e s PRO 83 N -0.94 3.77 0.00 5.12 0.02 -1.26 0.15 135.00 141.86 3i9e s PRO 83 Ca -0.10 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.18 3i9e s PRO 83 Cb -0.02 -2.66 0.00 0.00 0.02 0.00 0.00 34.50 31.84 3i9e s PRO 83 CO 0.07 -0.69 0.10 -0.85 -0.33 0.00 0.00 177.00 175.30 3i9e n GLU 84 N -0.13 0.40 -3.57 5.54 0.28 -0.81 -4.71 120.64 117.63 3i9e n GLU 84 Ca 0.05 -0.10 -0.01 0.00 -0.16 0.00 0.00 57.16 56.93 3i9e n GLU 84 Cb 0.43 -0.50 -0.06 0.00 1.43 0.00 0.00 31.44 32.74 3i9e n GLU 84 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 3i9e s HIS 85 N -0.09 -0.69 -0.12 -1.84 5.04 -1.03 -4.47 115.29 112.09 3i9e s HIS 85 Ca 0.00 1.30 0.03 0.00 -1.54 0.00 0.00 55.06 54.85 3i9e s HIS 85 Cb 0.00 0.41 0.00 0.00 0.04 0.00 0.00 32.58 33.03 3i9e s HIS 85 CO 0.00 -0.34 -0.23 0.08 -2.34 0.00 0.00 174.74 171.92 3i9e s VAL 86 N 1.78 2.10 -0.26 0.89 1.01 -0.75 -1.81 120.40 123.37 3i9e s VAL 86 Ca -0.07 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 60.90 3i9e s VAL 86 Cb -0.05 -1.82 0.02 0.00 0.00 0.00 0.00 36.38 34.53 3i9e s VAL 86 CO -0.16 0.55 -0.04 1.51 0.00 0.00 0.00 175.10 176.96 3i9e s ASP 87 N 0.59 4.44 -0.12 3.32 1.47 -1.07 -0.59 116.67 124.70 3i9e s ASP 87 Ca -0.12 -0.86 -0.20 0.00 1.18 0.00 0.00 52.55 52.55 3i9e s ASP 87 Cb -0.17 -1.69 -0.04 0.00 -0.34 0.00 0.00 42.92 40.68 3i9e s ASP 87 CO 0.03 -0.14 0.56 -0.36 0.68 0.00 0.00 175.17 175.95 3i9e s PHE 88 N 1.35 3.50 -0.20 2.11 2.99 0.15 -2.60 117.98 125.27 3i9e s PHE 88 Ca 0.00 0.98 -0.13 0.00 0.00 0.00 0.00 56.93 57.78 3i9e s PHE 88 Cb -0.17 -2.67 -0.05 0.00 0.00 0.00 0.00 43.02 40.14 3i9e s PHE 88 CO -0.03 0.07 0.28 0.12 -0.00 0.00 0.00 175.22 175.66 3i9e s PHE 89 N 0.96 3.39 -0.29 0.36 5.99 -1.21 -2.56 117.98 124.62 3i9e s PHE 89 Ca 0.29 0.48 -0.21 0.00 0.00 0.00 0.00 56.93 57.50 3i9e s PHE 89 Cb -0.16 -2.37 -0.01 0.00 0.00 0.00 0.00 43.02 40.48 3i9e s PHE 89 CO 0.12 0.11 0.64 0.08 -0.00 0.00 0.00 175.22 176.18 3i9e s VAL 90 N 0.90 4.94 0.51 3.12 1.01 -1.20 -0.48 120.40 129.20 3i9e s VAL 90 Ca 0.14 0.97 -0.21 0.00 0.00 0.00 0.00 61.98 62.89 3i9e s VAL 90 Cb -0.13 -3.99 -0.06 0.00 0.00 0.00 0.00 36.38 32.20 3i9e s VAL 90 CO 0.05 -0.09 1.18 -0.76 0.00 0.00 0.00 175.10 175.47 3i9e s LEU 91 N 2.60 3.86 0.00 3.92 2.01 -0.86 -4.88 118.68 125.32 3i9e s LEU 91 Ca 0.26 2.32 0.00 0.00 0.01 0.00 0.00 54.13 56.72 3i9e s LEU 91 Cb -0.15 -4.41 0.00 0.00 0.01 0.00 0.00 46.19 41.64 3i9e s LEU 91 CO 0.11 -1.17 0.00 -0.24 1.01 0.00 0.00 176.35 176.05 3i9e n SER 92 N -0.96 0.00 0.34 2.29 2.88 -1.26 -4.83 113.62 112.08 3i9e n SER 92 Ca 0.10 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.46 3i9e n SER 92 Cb 0.49 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.86 3i9e n SER 92 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 3i9e h ASP 93 N 0.00 -0.72 -4.49 -3.46 3.04 -2.04 -3.47 116.42 105.27 3i9e h ASP 93 Ca 0.00 0.03 0.00 0.00 -3.24 0.00 0.00 57.03 53.82 3i9e h ASP 93 Cb 0.00 0.19 0.00 0.00 -1.04 0.00 0.00 39.33 38.48 3i9e h ASP 93 CO 0.00 -0.51 0.00 -1.84 -2.04 0.00 0.00 179.24 174.85 3i9e n GLU 94 N -5.45 0.00 -0.19 4.15 0.00 -1.26 -4.92 120.64 112.97 3i9e n GLU 94 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.03 3i9e n GLU 94 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.79 3i9e n GLU 94 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 3i9e n PRO 95 N -0.27 0.63 -3.62 3.44 -0.04 -1.26 -5.10 135.00 128.77 3i9e n PRO 95 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 3i9e n PRO 95 Cb 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.39 3i9e n PRO 95 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3i9e s VAL 96 N -0.19 0.00 0.69 0.52 -7.23 -0.94 -4.98 120.40 108.27 3i9e s VAL 96 Ca 0.00 0.00 -0.15 0.00 -1.81 0.00 0.00 61.98 60.02 3i9e s VAL 96 Cb 0.00 -1.00 0.02 0.00 0.56 0.00 0.00 36.38 35.96 3i9e s VAL 96 CO 0.00 0.00 1.13 -1.61 -0.31 0.00 0.00 175.10 174.31 3i9e s GLU 97 N 0.17 2.55 -0.14 4.82 8.01 -1.26 -3.03 118.70 129.81 3i9e s GLU 97 Ca -0.01 1.48 -0.33 0.00 0.01 0.00 0.00 54.97 56.12 3i9e s GLU 97 Cb -0.04 -1.91 0.13 0.00 -4.31 0.00 0.00 34.13 27.99 3i9e s GLU 97 CO 0.01 -1.46 1.12 0.00 0.01 0.00 0.00 175.26 174.93 3i9e s MET 98 N -4.10 0.45 -0.26 1.61 0.23 0.50 -4.93 119.30 112.80 3i9e s MET 98 Ca 0.69 -0.16 -0.14 0.00 -1.03 0.00 0.00 55.69 55.05 3i9e s MET 98 Cb -0.23 0.21 -0.04 0.00 -1.53 0.00 0.00 34.83 33.24 3i9e s MET 98 CO 0.44 -0.20 0.31 0.71 -2.03 0.00 0.00 175.02 174.25 3i9e s TYR 99 N -2.57 3.27 -0.19 3.16 2.02 -1.26 0.33 117.35 122.11 3i9e s TYR 99 Ca 0.08 0.36 -0.02 0.00 -0.37 0.00 0.00 57.07 57.11 3i9e s TYR 99 Cb -0.01 -2.49 -0.01 0.00 -0.40 0.00 0.00 41.96 39.05 3i9e s TYR 99 CO -0.06 -0.15 -0.08 0.08 -1.57 0.00 0.00 175.55 173.77 3i9e s VAL 100 N 1.77 3.19 1.05 0.71 1.01 -1.13 -4.50 120.40 122.50 3i9e s VAL 100 Ca 0.13 -0.57 -0.13 0.00 0.00 0.00 0.00 61.98 61.41 3i9e s VAL 100 Cb -0.15 -2.41 0.18 0.00 0.00 0.00 0.00 36.38 34.00 3i9e s VAL 100 CO 0.09 0.47 0.82 -0.81 0.00 0.00 0.00 175.10 175.68 3i9e n PRO 101 N 4.31 -1.39 -4.50 2.72 -0.04 -1.26 -2.79 135.00 132.05 3i9e n PRO 101 Ca -0.18 -0.36 -0.29 0.00 -0.04 0.00 0.00 63.50 62.62 3i9e n PRO 101 Cb 0.51 -2.12 -0.13 0.00 -0.04 0.00 0.00 33.50 31.72 3i9e n PRO 101 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3i9e s LEU 102 N -5.29 2.40 -0.40 1.53 1.43 -0.93 -3.40 118.68 114.01 3i9e s LEU 102 Ca 0.65 -0.65 -0.10 0.00 -1.03 0.00 0.00 54.13 53.00 3i9e s LEU 102 Cb -0.22 -1.33 0.06 0.00 0.03 0.00 0.00 46.19 44.73 3i9e s LEU 102 CO 0.63 0.20 0.23 -0.13 0.23 0.00 0.00 176.35 177.52 3i9e s ARG 103 N -1.86 2.68 -1.00 1.70 3.00 0.15 -4.91 118.95 118.71 3i9e s ARG 103 Ca 0.14 -1.32 -0.23 0.00 0.00 0.00 0.00 55.73 54.32 3i9e s ARG 103 Cb -0.10 -3.75 0.05 0.00 0.00 0.00 0.00 34.95 31.14 3i9e s ARG 103 CO 0.06 -0.86 1.45 -0.06 0.00 0.00 0.00 175.30 175.90 3i9e s PHE 104 N 1.47 2.50 -0.02 -0.53 2.99 -1.26 -0.41 117.98 122.72 3i9e s PHE 104 Ca 0.02 -0.76 0.03 0.00 0.00 0.00 0.00 56.93 56.22 3i9e s PHE 104 Cb -0.22 -4.68 0.04 0.00 0.00 0.00 0.00 43.02 38.17 3i9e s PHE 104 CO 0.04 -1.94 1.01 1.55 -0.00 0.00 0.00 175.22 175.87 3i9e n VAL 105 N 6.88 0.29 -2.97 -0.44 3.14 -1.26 -5.02 118.33 118.94 3i9e n VAL 105 Ca 0.31 -0.34 -0.28 0.00 -2.96 0.00 0.00 64.34 61.07 3i9e n VAL 105 Cb 0.51 0.40 -0.02 0.00 -1.06 0.00 0.00 33.84 33.67 3i9e n VAL 105 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 3i9e s GLY 106 N -1.25 1.71 0.16 7.55 0.00 -1.17 -4.72 107.32 109.59 3i9e s GLY 106 Ca 0.05 -0.47 -0.12 0.00 0.00 0.00 0.00 44.72 44.17 3i9e s GLY 106 CO 0.00 -0.33 0.14 2.41 0.00 0.00 0.00 173.10 175.33 3i9e n THR 107 N -1.56 0.63 -2.88 0.90 -1.04 0.13 -3.82 114.28 106.64 3i9e n THR 107 Ca -0.00 -0.25 -0.41 0.00 -2.04 0.00 0.00 64.05 61.34 3i9e n THR 107 Cb 0.55 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.06 3i9e n THR 107 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3i9e n PRO 108 N 0.59 4.75 0.00 -2.82 -0.04 -1.26 -4.84 135.00 131.38 3i9e n PRO 108 Ca 0.07 -4.61 0.00 0.00 -0.04 0.00 0.00 63.50 58.92 3i9e n PRO 108 Cb 0.17 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 3i9e n PRO 108 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i9e n ALA 109 N 0.77 0.00 0.06 0.55 0.00 -1.25 -2.89 120.51 117.75 3i9e n ALA 109 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3i9e n ALA 109 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 3i9e n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i9e n GLY 110 N 0.00 -1.23 2.68 0.00 0.00 -1.26 -4.92 105.19 100.46 3i9e n GLY 110 Ca 0.00 0.26 -0.05 0.00 0.00 0.00 0.00 46.02 46.23 3i9e n GLY 110 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3i9e n VAL 111 N -2.77 0.00 -1.41 1.61 3.14 -1.14 -5.06 118.33 112.70 3i9e n VAL 111 Ca 0.00 -0.73 -0.23 0.00 -2.96 0.00 0.00 64.34 60.42 3i9e n VAL 111 Cb 0.00 1.09 -0.21 0.00 -1.06 0.00 0.00 33.84 33.67 3i9e n VAL 111 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 3i9e n ARG 112 N 1.63 0.00 -0.26 1.45 0.63 -1.23 -4.56 116.66 114.33 3i9e n ARG 112 Ca 0.03 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 57.00 3i9e n ARG 112 Cb 0.69 -1.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.58 3i9e n ARG 112 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i9e n ALA 113 N 5.79 -0.67 0.00 5.13 0.00 -1.26 -4.60 120.51 124.91 3i9e n ALA 113 Ca 0.64 0.14 0.00 0.00 0.00 0.00 0.00 53.44 54.21 3i9e n ALA 113 Cb 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.30 3i9e n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i9e n GLY 114 N -2.71 0.00 0.00 0.00 0.00 -1.26 -4.74 105.19 96.47 3i9e n GLY 114 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3i9e n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9e n GLY 115 N 0.00 -1.83 0.02 -0.02 0.00 -1.26 -5.10 105.19 97.00 3i9e n GLY 115 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.72 3i9e n GLY 115 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i9e n VAL 116 N -0.01 0.00 0.00 1.61 0.24 -1.26 -4.84 118.33 114.07 3i9e n VAL 116 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3i9e n VAL 116 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3i9e n VAL 116 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3i9e n LEU 117 N 0.02 0.00 -3.06 1.34 -0.00 -1.26 -4.90 117.00 109.14 3i9e n LEU 117 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.92 3i9e n LEU 117 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.39 3i9e n LEU 117 CO 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 177.39 177.25 3i9e n GLN 118 N -0.97 -0.98 -1.62 1.96 6.02 -1.26 -4.85 117.38 115.68 3i9e n GLN 118 Ca 0.00 0.02 -0.31 0.00 -0.01 0.00 0.00 57.00 56.70 3i9e n GLN 118 Cb 0.00 -1.06 0.05 0.00 1.02 0.00 0.00 30.24 30.26 3i9e n GLN 118 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 3i9e s GLU 119 N -4.34 2.84 0.16 -1.09 4.04 -1.26 -5.00 118.70 114.05 3i9e s GLU 119 Ca 0.00 0.84 -0.32 0.00 0.04 0.00 0.00 54.97 55.54 3i9e s GLU 119 Cb -0.00 -1.99 -0.11 0.00 0.02 0.00 0.00 34.13 32.06 3i9e s GLU 119 CO 0.30 -1.14 1.68 0.42 -1.84 0.00 0.00 175.26 174.68 3i9e s ILE 120 N -3.10 2.45 0.44 1.83 1.01 -1.11 -4.95 121.20 117.76 3i9e s ILE 120 Ca 0.58 0.23 0.05 0.00 0.00 0.00 0.00 60.65 61.52 3i9e s ILE 120 Cb -0.14 -3.15 -0.06 0.00 0.01 0.00 0.00 42.46 39.13 3i9e s ILE 120 CO 0.55 0.01 0.02 -1.38 0.00 0.00 0.00 174.94 174.14 3i9e s HIS 121 N 1.62 2.33 0.00 3.97 -3.43 -1.26 -4.67 115.29 113.85 3i9e s HIS 121 Ca 0.74 -0.75 0.00 0.00 -0.80 0.00 0.00 55.06 54.25 3i9e s HIS 121 Cb -0.46 -1.75 0.00 0.00 -1.43 0.00 0.00 32.58 28.95 3i9e s HIS 121 CO 0.32 0.36 0.00 0.54 -2.00 0.00 0.00 174.74 173.96 3i9e n ARG 122 N -1.08 0.00 0.00 -0.38 3.00 -1.26 -4.95 116.66 111.99 3i9e n ARG 122 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.75 3i9e n ARG 122 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.13 3i9e n ARG 122 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3i9e n ASP 123 N 3.96 0.00 0.00 0.55 10.43 -1.26 -2.18 116.55 128.05 3i9e n ASP 123 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 3i9e n ASP 123 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 3i9e n ASP 123 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3i9e n ILE 124 N 0.00 0.00 -1.85 0.53 0.13 -1.12 -4.80 119.36 112.25 3i9e n ILE 124 Ca 0.00 0.00 -0.42 0.00 -1.10 0.00 0.00 62.75 61.23 3i9e n ILE 124 Cb 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 39.64 38.77 3i9e n ILE 124 CO 0.00 0.00 0.00 -0.22 2.80 0.00 0.00 176.55 179.13 3i9e s LEU 125 N 0.00 4.37 -0.05 9.51 2.96 -1.26 -2.85 118.68 131.37 3i9e s LEU 125 Ca 0.00 2.68 -0.12 0.00 -0.22 0.00 0.00 54.13 56.48 3i9e s LEU 125 Cb 0.00 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 43.12 3i9e s LEU 125 CO 0.00 -0.90 0.27 0.68 -1.32 0.00 0.00 176.35 175.08 3i9e s VAL 126 N 1.62 0.04 0.15 1.68 -7.23 0.15 -2.80 120.40 114.01 3i9e s VAL 126 Ca 0.73 -0.34 -0.13 0.00 -1.81 0.00 0.00 61.98 60.44 3i9e s VAL 126 Cb -0.45 -0.50 -0.07 0.00 0.56 0.00 0.00 36.38 35.92 3i9e s VAL 126 CO 0.32 -0.19 0.52 -0.75 -0.31 0.00 0.00 175.10 174.70 3i9e s LYS 127 N -0.79 3.91 0.14 4.82 2.20 -0.28 -0.37 119.74 129.38 3i9e s LYS 127 Ca -0.09 0.40 -0.25 0.00 -0.36 0.00 0.00 55.97 55.67 3i9e s LYS 127 Cb -0.04 -2.90 0.07 0.00 -1.51 0.00 0.00 37.83 33.45 3i9e s LYS 127 CO 0.02 0.47 1.00 0.54 -0.36 0.00 0.00 175.35 177.03 3i9e s VAL 128 N -1.51 0.00 0.13 4.02 0.11 -1.17 -2.99 120.40 118.99 3i9e s VAL 128 Ca 0.38 -0.61 -0.02 0.00 -2.93 0.00 0.00 61.98 58.80 3i9e s VAL 128 Cb -0.14 -2.12 -0.05 0.00 -1.53 0.00 0.00 36.38 32.54 3i9e s VAL 128 CO 0.19 0.00 0.33 -0.55 -3.33 0.00 0.00 175.10 171.74 3i9e s SER 129 N -3.01 6.42 0.00 3.54 0.15 -1.26 -2.22 113.70 117.31 3i9e s SER 129 Ca 0.14 0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.21 3i9e s SER 129 Cb -0.01 -2.02 0.00 0.00 -1.71 0.00 0.00 66.02 62.28 3i9e s SER 129 CO 0.02 0.06 0.11 -2.65 1.20 0.00 0.00 173.24 171.98 3i9e n PRO 130 N -0.07 0.19 0.08 5.44 -0.02 -1.26 -3.01 135.00 136.35 3i9e n PRO 130 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 3i9e n PRO 130 Cb 0.52 -1.08 0.00 0.00 -0.02 0.00 0.00 33.50 32.92 3i9e n PRO 130 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i9e n ARG 131 N 0.29 0.00 0.00 -0.52 1.74 -1.26 -4.75 116.66 112.16 3i9e n ARG 131 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i9e n ARG 131 Cb 0.04 -0.33 0.00 0.00 -1.02 0.00 0.00 32.46 31.16 3i9e n ARG 131 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3i9e n ASN 132 N -3.47 1.38 -4.56 0.55 0.23 -1.17 -4.76 115.26 103.47 3i9e n ASN 132 Ca 0.00 -1.04 -0.32 0.00 -0.53 0.00 0.00 54.58 52.70 3i9e n ASN 132 Cb 0.02 -0.26 -0.04 0.00 -2.08 0.00 0.00 39.78 37.42 3i9e n ASN 132 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3i9e s ILE 133 N 0.23 3.42 -0.28 1.53 1.01 -1.22 -4.42 121.20 121.47 3i9e s ILE 133 Ca 0.00 -0.14 -0.28 0.00 0.00 0.00 0.00 60.65 60.24 3i9e s ILE 133 Cb 0.00 -4.00 -0.05 0.00 0.01 0.00 0.00 42.46 38.41 3i9e s ILE 133 CO 0.00 -0.96 2.25 -2.16 0.00 0.00 0.00 174.94 174.07 3i9e s PRO 134 N 6.98 2.90 0.57 2.79 0.04 -1.26 -4.79 135.00 142.24 3i9e s PRO 134 Ca 0.68 1.87 0.09 0.00 0.04 0.00 0.00 61.00 63.69 3i9e s PRO 134 Cb -0.09 -4.42 0.51 0.00 0.04 0.00 0.00 34.50 30.55 3i9e s PRO 134 CO 0.08 -2.36 1.24 1.05 0.04 0.00 0.00 177.00 177.04 3i9e h GLU 135 N 16.01 0.00 0.00 4.56 4.11 -1.92 -3.43 114.58 133.90 3i9e h GLU 135 Ca -0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.06 3i9e h GLU 135 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3i9e h GLU 135 CO 1.01 0.00 0.00 1.97 0.07 0.00 0.00 179.01 182.06 3i9e n PHE 136 N -2.43 -0.09 -3.58 2.06 1.16 -1.26 -4.79 117.46 108.53 3i9e n PHE 136 Ca -0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 57.45 55.55 3i9e n PHE 136 Cb 0.72 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.53 3i9e n PHE 136 CO 0.00 0.00 0.00 0.96 -1.87 0.00 0.00 176.76 175.85 3i9e s ILE 137 N -2.35 -0.29 -0.17 1.97 -4.36 -1.22 -4.95 121.20 109.84 3i9e s ILE 137 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 60.65 60.15 3i9e s ILE 137 Cb 0.00 -1.00 -0.02 0.00 1.25 0.00 0.00 42.46 42.69 3i9e s ILE 137 CO 0.00 0.00 0.78 -0.70 0.24 0.00 0.00 174.94 175.26 3i9e s GLU 138 N 1.93 4.29 0.02 0.37 2.12 -1.26 0.29 118.70 126.46 3i9e s GLU 138 Ca -0.07 0.93 -0.30 0.00 0.36 0.00 0.00 54.97 55.89 3i9e s GLU 138 Cb -0.06 -3.57 -0.05 0.00 0.26 0.00 0.00 34.13 30.71 3i9e s GLU 138 CO -0.17 -0.28 1.29 0.54 -0.54 0.00 0.00 175.26 176.10 3i9e s VAL 139 N 2.00 3.89 0.14 3.70 0.11 0.46 -4.48 120.40 126.21 3i9e s VAL 139 Ca 0.36 1.30 -0.02 0.00 -2.93 0.00 0.00 61.98 60.69 3i9e s VAL 139 Cb -0.17 -3.84 0.03 0.00 -1.53 0.00 0.00 36.38 30.88 3i9e s VAL 139 CO 0.12 0.04 0.18 0.47 -3.33 0.00 0.00 175.10 172.59 3i9e n ASP 140 N 4.75 0.03 -1.68 3.54 8.00 -1.26 -3.06 116.55 126.87 3i9e n ASP 140 Ca 0.11 -1.08 0.00 0.00 0.71 0.00 0.00 54.79 54.53 3i9e n ASP 140 Cb 0.45 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 3i9e n ASP 140 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3i9e n VAL 141 N -2.20 -3.95 -1.48 2.53 0.31 -1.26 -4.32 118.33 107.96 3i9e n VAL 141 Ca 0.02 1.02 -0.15 0.00 -0.01 0.00 0.00 64.34 65.22 3i9e n VAL 141 Cb 0.08 -1.95 0.15 0.00 -0.91 0.00 0.00 33.84 31.22 3i9e n VAL 141 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3i9e n SER 142 N 1.59 3.83 0.00 4.52 3.41 -1.26 0.18 113.62 125.88 3i9e n SER 142 Ca 0.00 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 54.85 3i9e n SER 142 Cb 0.00 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 3i9e n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i9e n GLY 143 N -1.04 1.09 3.58 5.00 0.00 -1.26 -4.67 105.19 107.88 3i9e n GLY 143 Ca 0.44 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.26 3i9e n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i9e s LEU 144 N -0.58 2.71 1.08 0.99 1.43 -1.26 -4.90 118.68 118.15 3i9e s LEU 144 Ca 0.00 -1.04 -0.12 0.00 -1.03 0.00 0.00 54.13 51.94 3i9e s LEU 144 Cb 0.00 -2.59 0.23 0.00 0.03 0.00 0.00 46.19 43.87 3i9e s LEU 144 CO 0.00 -3.94 1.06 -1.61 0.23 0.00 0.00 176.35 172.09 3i9e s GLU 145 N 7.74 -0.22 -0.14 1.70 2.02 -1.26 -4.57 118.70 123.97 3i9e s GLU 145 Ca 0.78 0.92 -0.40 0.00 0.02 0.00 0.00 54.97 56.29 3i9e s GLU 145 Cb -0.05 -1.63 -0.17 0.00 0.10 0.00 0.00 34.13 32.38 3i9e s GLU 145 CO 0.14 -3.28 1.48 -0.89 0.02 0.00 0.00 175.26 172.73 3i9e n ILE 146 N -4.61 0.11 -1.83 -1.63 5.41 -1.26 -1.97 119.36 113.57 3i9e n ILE 146 Ca 0.05 -0.02 -0.03 0.00 1.00 0.00 0.00 62.75 63.75 3i9e n ILE 146 Cb 0.54 -0.79 -0.00 0.00 -0.71 0.00 0.00 39.64 38.68 3i9e n ILE 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i9e n GLY 147 N 3.18 0.33 0.35 7.39 0.00 -1.26 -5.06 105.19 110.11 3i9e n GLY 147 Ca 0.23 -0.79 -0.03 0.00 0.00 0.00 0.00 46.02 45.44 3i9e n GLY 147 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i9e n ASP 148 N 1.38 0.03 -2.87 1.61 2.03 -0.83 -5.11 116.55 112.78 3i9e n ASP 148 Ca -0.04 -1.05 0.01 0.00 0.52 0.00 0.00 54.79 54.23 3i9e n ASP 148 Cb 0.43 -0.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.75 3i9e n ASP 148 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3i9e s SER 149 N -1.42 -0.65 -1.19 1.67 0.15 -1.26 -5.04 113.70 105.96 3i9e s SER 149 Ca 0.07 -0.37 -0.10 0.00 0.70 0.00 0.00 55.95 56.25 3i9e s SER 149 Cb -0.00 0.83 0.21 0.00 -1.71 0.00 0.00 66.02 65.35 3i9e s SER 149 CO 0.05 -0.07 1.50 -0.11 1.20 0.00 0.00 173.24 175.81 3i9e n LEU 150 N 3.78 5.87 0.00 3.45 7.94 -1.18 -5.00 117.00 131.85 3i9e n LEU 150 Ca 0.08 -4.74 0.00 0.00 -1.11 0.00 0.00 56.01 50.23 3i9e n LEU 150 Cb 0.62 -1.50 0.00 0.00 0.53 0.00 0.00 43.42 43.07 3i9e n LEU 150 CO -0.08 1.18 0.00 1.41 -1.11 0.00 0.00 177.39 178.79 3i9e n HIS 151 N 3.89 0.00 -0.35 1.96 8.25 -1.24 -4.54 115.22 123.20 3i9e n HIS 151 Ca 0.33 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.93 3i9e n HIS 151 Cb 0.39 0.00 0.27 0.00 1.12 0.00 0.00 29.99 31.77 3i9e n HIS 151 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i9e n ALA 152 N 0.00 0.47 -1.00 -1.41 0.00 0.17 -4.12 120.51 114.62 3i9e n ALA 152 Ca 0.00 1.07 0.00 0.00 0.00 0.00 0.00 53.44 54.51 3i9e n ALA 152 Cb 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3i9e n ALA 152 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i9e n SER 153 N -5.50 0.00 0.00 0.00 3.41 -1.13 -4.82 113.62 105.57 3i9e n SER 153 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 3i9e n SER 153 Cb 0.73 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.68 3i9e n SER 153 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3i9e n ASP 154 N 0.00 0.00 0.00 4.04 2.03 -1.26 -4.98 116.55 116.38 3i9e n ASP 154 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3i9e n ASP 154 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3i9e n ASP 154 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3i9e n LEU 155 N 0.00 0.00 0.00 -2.67 -0.00 -1.26 -4.30 117.00 108.77 3i9e n LEU 155 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3i9e n LEU 155 Cb 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 43.42 43.33 3i9e n LEU 155 CO 0.00 0.00 0.00 2.29 -0.00 0.00 0.00 177.39 179.68 3i9e n LYS 156 N -0.09 0.00 -3.58 1.47 2.85 -1.26 -4.83 118.16 112.72 3i9e n LYS 156 Ca 0.00 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.04 3i9e n LYS 156 Cb 0.00 0.00 0.05 0.00 -0.65 0.00 0.00 35.03 34.43 3i9e n LYS 156 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3i9e n LEU 157 N -0.01 -3.66 0.00 -5.58 4.32 -1.26 -4.97 117.00 105.84 3i9e n LEU 157 Ca 0.00 -0.82 -0.01 0.00 -0.02 0.00 0.00 56.01 55.16 3i9e n LEU 157 Cb 0.00 -2.77 0.01 0.00 -1.62 0.00 0.00 43.42 39.05 3i9e n LEU 157 CO 0.00 0.36 0.02 -2.65 -1.22 0.00 0.00 177.39 173.89 3i9e n PRO 158 N -4.03 0.63 0.00 3.23 -0.02 -1.26 -4.82 135.00 128.72 3i9e n PRO 158 Ca -0.21 -0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.20 3i9e n PRO 158 Cb 0.65 -0.20 0.00 0.00 -0.02 0.00 0.00 33.50 33.93 3i9e n PRO 158 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3i9e n PRO 159 N -0.48 0.00 -2.00 0.52 -0.04 -1.26 -3.86 135.00 127.88 3i9e n PRO 159 Ca 0.01 0.13 -0.32 0.00 -0.04 0.00 0.00 63.50 63.28 3i9e n PRO 159 Cb 0.03 -0.71 -0.04 0.00 -0.04 0.00 0.00 33.50 32.74 3i9e n PRO 159 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3i9e s GLY 160 N 0.00 0.12 -0.16 0.55 0.00 -1.26 -4.90 107.32 101.66 3i9e s GLY 160 Ca 0.00 -1.03 -0.14 0.00 0.00 0.00 0.00 44.72 43.55 3i9e s GLY 160 CO 0.00 3.52 0.43 0.14 0.00 0.00 0.00 173.10 177.19 3i9e s VAL 161 N 9.93 -0.00 -0.29 1.40 1.01 -1.25 -4.77 120.40 126.43 3i9e s VAL 161 Ca 0.71 0.01 -0.14 0.00 0.00 0.00 0.00 61.98 62.56 3i9e s VAL 161 Cb -0.10 -0.61 0.11 0.00 0.00 0.00 0.00 36.38 35.78 3i9e s VAL 161 CO 0.10 0.00 0.74 -0.70 0.00 0.00 0.00 175.10 175.25 3i9e s GLU 162 N 0.36 0.60 1.09 2.72 2.12 -1.16 -5.03 118.70 119.40 3i9e s GLU 162 Ca -0.01 1.18 -0.17 0.00 0.36 0.00 0.00 54.97 56.33 3i9e s GLU 162 Cb -0.04 0.36 0.15 0.00 0.26 0.00 0.00 34.13 34.87 3i9e s GLU 162 CO -0.01 -0.15 0.18 1.28 -0.54 0.00 0.00 175.26 176.01 3i9e n LEU 163 N 4.60 -1.73 0.00 2.70 4.77 -1.26 -1.12 117.00 124.96 3i9e n LEU 163 Ca -0.17 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 3i9e n LEU 163 Cb 0.56 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 3i9e n LEU 163 CO -0.02 -3.25 0.00 0.00 -1.33 0.00 0.00 177.39 172.79 3i9e n ALA 164 N -4.50 0.00 -2.67 -1.18 0.00 -1.12 -3.58 120.51 107.47 3i9e n ALA 164 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.16 3i9e n ALA 164 Cb 0.49 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.89 3i9e n ALA 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3i9e s VAL 165 N 0.00 1.20 -0.25 0.00 -7.23 -1.25 -4.90 120.40 107.97 3i9e s VAL 165 Ca 0.00 -1.84 -0.29 0.00 -1.81 0.00 0.00 61.98 58.04 3i9e s VAL 165 Cb 0.00 -2.05 -0.01 0.00 0.56 0.00 0.00 36.38 34.88 3i9e s VAL 165 CO 0.00 0.00 1.35 -0.55 -0.31 0.00 0.00 175.10 175.59 3i9e s SER 166 N -4.03 6.69 0.56 4.85 0.15 -1.26 -4.87 113.70 115.78 3i9e s SER 166 Ca 0.11 1.41 0.44 0.00 0.70 0.00 0.00 55.95 58.61 3i9e s SER 166 Cb -0.00 -2.54 1.63 0.00 -1.71 0.00 0.00 66.02 63.40 3i9e s SER 166 CO 0.07 -1.03 1.65 -0.65 1.20 0.00 0.00 173.24 174.47 3i9e h PRO 167 N 9.29 0.00 -4.00 5.44 0.11 -1.98 -3.17 132.00 137.68 3i9e h PRO 167 Ca -0.28 0.00 -0.78 0.00 0.11 0.00 0.00 66.00 65.06 3i9e h PRO 167 Cb 1.11 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 31.97 3i9e h PRO 167 CO 1.01 0.00 0.28 -1.21 -0.21 0.00 0.00 178.00 177.87 3i9e s GLU 168 N -4.87 3.69 0.00 1.05 8.01 -1.26 -2.84 118.70 122.48 3i9e s GLU 168 Ca -0.05 -2.46 0.00 0.00 0.01 0.00 0.00 54.97 52.48 3i9e s GLU 168 Cb 0.25 -4.53 0.00 0.00 -4.31 0.00 0.00 34.13 25.53 3i9e s GLU 168 CO 0.84 -1.37 0.00 -1.91 0.01 0.00 0.00 175.26 172.83 3i9e n GLU 169 N 4.24 0.00 0.00 1.61 4.07 -1.20 -4.93 120.64 124.43 3i9e n GLU 169 Ca 0.17 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.27 3i9e n GLU 169 Cb 0.46 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.84 3i9e n GLU 169 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 3i9e n THR 170 N -1.29 0.00 0.00 6.31 -2.24 -1.26 -4.58 114.28 111.22 3i9e n THR 170 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3i9e n THR 170 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3i9e n THR 170 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i9e n ILE 171 N 0.00 0.00 -1.97 2.28 0.00 -1.26 0.42 119.36 118.83 3i9e n ILE 171 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.75 3i9e n ILE 171 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39.64 39.64 3i9e n ILE 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55