#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fat n ASN 2 N 0.00 -1.78 -4.87 6.43 2.85 -0.67 -4.92 115.26 112.30 1fat n ASN 2 Ca 0.00 -2.98 -0.31 0.00 -0.11 0.00 0.00 54.58 51.18 1fat n ASN 2 Cb 0.00 0.82 -0.01 0.00 1.24 0.00 0.00 39.78 41.84 1fat n ASN 2 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 1fat s ASP 3 N -1.05 6.37 -0.05 1.20 1.01 -1.26 -3.29 116.67 119.60 1fat s ASP 3 Ca 0.33 1.36 -0.19 0.00 0.71 0.00 0.00 52.55 54.76 1fat s ASP 3 Cb 0.16 -2.43 0.04 0.00 1.01 0.00 0.00 42.92 41.70 1fat s ASP 3 CO -0.18 -0.70 0.42 -0.51 0.21 0.00 0.00 175.17 174.41 1fat s ILE 4 N -2.88 0.03 -0.27 0.77 1.10 -0.72 -4.99 121.20 114.25 1fat s ILE 4 Ca 0.55 -0.27 -0.25 0.00 -0.51 0.00 0.00 60.65 60.16 1fat s ILE 4 Cb -0.11 -0.70 0.10 0.00 0.15 0.00 0.00 42.46 41.90 1fat s ILE 4 CO 0.44 -0.15 0.89 -0.47 -2.11 0.00 0.00 174.94 173.54 1fat s TYR 5 N -0.97 -0.61 0.17 3.50 5.04 -1.26 -1.78 117.35 121.45 1fat s TYR 5 Ca -0.10 1.47 -0.15 0.00 -2.44 0.00 0.00 57.07 55.85 1fat s TYR 5 Cb -0.04 0.33 0.02 0.00 0.35 0.00 0.00 41.96 42.62 1fat s TYR 5 CO 0.05 -0.31 0.44 -0.59 -1.34 0.00 0.00 175.55 173.80 1fat s PHE 6 N 0.21 0.00 -0.29 4.97 -0.12 -0.54 -5.00 117.98 117.21 1fat s PHE 6 Ca 0.01 -0.35 -0.02 0.00 -0.05 0.00 0.00 56.93 56.53 1fat s PHE 6 Cb -0.05 0.25 0.17 0.00 -0.63 0.00 0.00 43.02 42.77 1fat s PHE 6 CO -0.02 -0.83 0.55 1.21 -0.05 0.00 0.00 175.22 176.08 1fat s ASN 7 N -2.88 -0.97 -0.28 1.98 2.47 -1.26 -1.99 114.94 112.00 1fat s ASN 7 Ca 0.10 0.75 -0.09 0.00 0.42 0.00 0.00 52.86 54.04 1fat s ASN 7 Cb 0.01 1.91 -0.02 0.00 -1.45 0.00 0.00 41.25 41.69 1fat s ASN 7 CO -0.04 -0.27 0.13 -0.36 -3.72 0.00 0.00 177.10 172.84 1fat s PHE 8 N 2.78 3.15 -2.56 0.43 0.08 0.64 -4.91 117.98 117.59 1fat s PHE 8 Ca 0.18 -0.37 0.23 0.00 0.12 0.00 0.00 56.93 57.10 1fat s PHE 8 Cb -0.15 -2.32 0.54 0.00 -0.57 0.00 0.00 43.02 40.53 1fat s PHE 8 CO -0.20 -0.36 1.45 1.04 -0.10 0.00 0.00 175.22 177.06 1fat n GLN 9 N 4.98 2.15 -3.55 0.44 6.02 -1.26 -1.58 117.38 124.57 1fat n GLN 9 Ca -0.15 -1.70 -0.01 0.00 -0.01 0.00 0.00 57.00 55.13 1fat n GLN 9 Cb 0.51 -1.47 -0.05 0.00 1.02 0.00 0.00 30.24 30.25 1fat n GLN 9 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1fat s ARG 10 N -1.77 0.35 0.51 -1.09 1.70 -1.26 -4.79 118.95 112.61 1fat s ARG 10 Ca 0.34 0.71 -0.14 0.00 -0.47 0.00 0.00 55.73 56.18 1fat s ARG 10 Cb 0.20 0.25 -0.07 0.00 -0.57 0.00 0.00 34.95 34.77 1fat s ARG 10 CO 0.30 -0.09 0.94 -0.06 -1.08 0.00 0.00 175.30 175.31 1fat s PHE 11 N 1.84 3.50 -0.10 5.89 0.40 -0.45 -5.03 117.98 124.02 1fat s PHE 11 Ca -0.06 1.31 -0.12 0.00 -0.60 0.00 0.00 56.93 57.46 1fat s PHE 11 Cb -0.05 -2.68 0.03 0.00 0.51 0.00 0.00 43.02 40.83 1fat s PHE 11 CO -0.16 -0.38 0.31 1.21 0.70 0.00 0.00 175.22 176.90 1fat s ASN 12 N -3.38 -0.30 0.00 1.36 3.84 -1.26 -4.42 114.94 110.78 1fat s ASN 12 Ca 0.56 0.53 0.23 0.00 0.21 0.00 0.00 52.86 54.39 1fat s ASN 12 Cb -0.10 0.59 1.13 0.00 -0.55 0.00 0.00 41.25 42.31 1fat s ASN 12 CO 0.37 -0.17 1.76 -1.84 -2.79 0.00 0.00 177.10 174.43 1fat n GLU 13 N 2.62 0.26 0.21 0.43 0.00 -1.26 -3.90 120.64 119.00 1fat n GLU 13 Ca -0.14 0.08 0.08 0.00 0.00 0.00 0.00 57.16 57.17 1fat n GLU 13 Cb 0.57 -1.50 0.43 0.00 0.00 0.00 0.00 31.44 30.94 1fat n GLU 13 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 1fat h THR 14 N 0.00 0.78 -0.28 3.84 1.35 -2.03 -3.06 112.91 113.52 1fat h THR 14 Ca 0.00 -1.25 -0.11 0.00 -0.55 0.00 0.00 66.41 64.49 1fat h THR 14 Cb 0.26 1.78 -0.07 0.00 -1.73 0.00 0.00 68.15 68.39 1fat h THR 14 CO 0.00 0.29 -0.08 -0.46 -0.25 0.00 0.00 175.52 175.02 1fat n ASN 15 N -3.55 2.74 -4.22 5.36 0.23 -1.25 -4.98 115.26 109.58 1fat n ASN 15 Ca -0.00 -3.56 -0.20 0.00 -0.53 0.00 0.00 54.58 50.28 1fat n ASN 15 Cb 0.44 -0.59 -0.12 0.00 -2.08 0.00 0.00 39.78 37.43 1fat n ASN 15 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1fat s LEU 16 N -3.12 2.29 -0.32 -4.53 1.02 -1.16 -1.04 118.68 111.82 1fat s LEU 16 Ca 0.43 -0.65 -0.07 0.00 0.02 0.00 0.00 54.13 53.86 1fat s LEU 16 Cb 0.38 -0.66 0.02 0.00 0.02 0.00 0.00 46.19 45.95 1fat s LEU 16 CO 0.02 -0.03 0.10 -0.63 0.02 0.00 0.00 176.35 175.83 1fat s ILE 17 N -1.25 4.01 -0.16 -0.59 1.01 0.13 -4.80 121.20 119.54 1fat s ILE 17 Ca 0.01 -0.82 -0.08 0.00 0.00 0.00 0.00 60.65 59.77 1fat s ILE 17 Cb -0.10 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 1fat s ILE 17 CO 0.03 -0.02 0.12 -0.76 0.00 0.00 0.00 174.94 174.31 1fat s LEU 18 N 1.48 4.21 -0.04 2.97 1.43 -1.26 -0.80 118.68 126.66 1fat s LEU 18 Ca 0.01 0.30 0.06 0.00 -1.03 0.00 0.00 54.13 53.47 1fat s LEU 18 Cb -0.18 -2.06 -0.01 0.00 0.03 0.00 0.00 46.19 43.97 1fat s LEU 18 CO 0.03 0.28 -0.21 -1.10 0.23 0.00 0.00 176.35 175.57 1fat s GLN 19 N -0.22 2.07 6.80 1.70 -0.21 0.59 -4.98 119.66 125.41 1fat s GLN 19 Ca 0.10 -0.76 0.00 0.00 0.02 0.00 0.00 55.36 54.72 1fat s GLN 19 Cb -0.12 -1.82 0.00 0.00 1.00 0.00 0.00 33.01 32.07 1fat s GLN 19 CO 0.01 0.35 0.00 0.54 -2.12 0.00 0.00 175.29 174.07 1fat n ARG 20 N 2.93 0.00 0.00 2.91 5.12 -1.26 -1.87 116.66 124.49 1fat n ARG 20 Ca -0.17 0.00 0.14 0.00 -1.93 0.00 0.00 57.85 55.88 1fat n ARG 20 Cb 0.52 0.00 0.78 0.00 -1.16 0.00 0.00 32.46 32.60 1fat n ARG 20 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1fat n ASP 21 N 6.20 0.00 -4.76 0.55 8.00 -0.61 -4.86 116.55 121.08 1fat n ASP 21 Ca 0.00 -0.64 -0.39 0.00 0.71 0.00 0.00 54.79 54.47 1fat n ASP 21 Cb 0.00 -0.09 0.02 0.00 -0.02 0.00 0.00 41.12 41.04 1fat n ASP 21 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fat s ALA 22 N -2.17 3.03 0.11 2.24 0.00 -1.06 -4.31 121.76 119.60 1fat s ALA 22 Ca 0.37 1.32 -0.25 0.00 0.00 0.00 0.00 51.96 53.39 1fat s ALA 22 Cb 0.19 -3.54 0.08 0.00 0.00 0.00 0.00 23.12 19.84 1fat s ALA 22 CO 0.35 -1.16 0.74 -1.54 0.00 0.00 0.00 175.76 174.15 1fat s SER 23 N -0.82 -0.44 -0.15 0.00 1.04 -0.28 -4.72 113.70 108.33 1fat s SER 23 Ca 0.65 -0.08 -0.02 0.00 0.48 0.00 0.00 55.95 56.98 1fat s SER 23 Cb -0.40 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.22 1fat s SER 23 CO 0.49 -0.87 -0.08 -0.69 0.98 0.00 0.00 173.24 173.08 1fat s VAL 24 N -3.50 3.52 0.75 5.02 1.01 -1.26 -0.32 120.40 125.62 1fat s VAL 24 Ca 0.04 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.41 1fat s VAL 24 Cb -0.01 -2.52 0.04 0.00 0.00 0.00 0.00 36.38 33.89 1fat s VAL 24 CO -0.09 0.50 1.12 -0.94 0.00 0.00 0.00 175.10 175.70 1fat s SER 25 N 0.38 5.00 0.64 3.32 1.04 -0.20 -4.87 113.70 119.01 1fat s SER 25 Ca -0.07 1.04 0.41 0.00 0.48 0.00 0.00 55.95 57.81 1fat s SER 25 Cb -0.15 -1.73 2.24 0.00 0.10 0.00 0.00 66.02 66.49 1fat s SER 25 CO 0.04 -1.62 2.26 0.77 0.98 0.00 0.00 173.24 175.68 1fat h SER 26 N -0.85 0.00 -0.44 7.02 4.64 -1.98 0.73 113.55 122.68 1fat h SER 26 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1fat h SER 26 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1fat h SER 26 CO 0.64 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.06 1fat n SER 27 N -2.98 3.00 -1.74 4.97 3.41 -1.26 -4.96 113.62 114.06 1fat n SER 27 Ca -0.03 -1.94 -0.09 0.00 -0.26 0.00 0.00 58.87 56.55 1fat n SER 27 Cb 0.10 -0.29 0.03 0.00 -0.26 0.00 0.00 64.21 63.80 1fat n SER 27 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fat n GLY 28 N 1.41 0.33 3.40 5.00 0.00 0.25 -4.85 105.19 110.74 1fat n GLY 28 Ca 0.19 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 1fat n GLY 28 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fat s GLN 29 N -5.29 2.53 -0.26 1.61 -0.21 -1.25 -1.35 119.66 115.44 1fat s GLN 29 Ca 0.18 -0.77 -0.26 0.00 0.02 0.00 0.00 55.36 54.53 1fat s GLN 29 Cb -0.08 -2.31 0.00 0.00 1.00 0.00 0.00 33.01 31.62 1fat s GLN 29 CO 0.28 0.53 0.89 -1.17 -2.12 0.00 0.00 175.29 173.70 1fat s LEU 30 N -0.51 4.07 -0.42 2.90 2.96 -0.00 -1.03 118.68 126.65 1fat s LEU 30 Ca 0.07 1.05 -0.05 0.00 -0.22 0.00 0.00 54.13 54.98 1fat s LEU 30 Cb -0.11 -3.27 0.11 0.00 0.50 0.00 0.00 46.19 43.41 1fat s LEU 30 CO 0.01 -0.60 0.23 -0.13 -1.32 0.00 0.00 176.35 174.55 1fat s ARG 31 N 3.01 2.16 0.47 1.98 0.52 0.56 -0.38 118.95 127.27 1fat s ARG 31 Ca 0.37 -1.76 0.21 0.00 -0.52 0.00 0.00 55.73 54.04 1fat s ARG 31 Cb -0.15 -3.65 1.18 0.00 0.52 0.00 0.00 34.95 32.85 1fat s ARG 31 CO 0.09 -1.07 2.00 -0.07 0.02 0.00 0.00 175.30 176.26 1fat h LEU 32 N 8.16 0.00 -8.43 2.53 3.38 -1.43 -0.73 115.31 118.79 1fat h LEU 32 Ca -0.16 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.42 1fat h LEU 32 Cb 1.06 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.60 1fat h LEU 32 CO 0.73 0.18 -0.77 0.42 0.09 0.00 0.00 178.44 179.10 1fat s THR 33 N -4.29 1.08 1.44 0.22 -4.23 -1.26 -2.60 115.64 106.00 1fat s THR 33 Ca -0.03 -1.39 -0.23 0.00 -1.18 0.00 0.00 61.69 58.86 1fat s THR 33 Cb 0.14 -1.14 0.37 0.00 1.34 0.00 0.00 72.50 73.21 1fat s THR 33 CO 0.64 -0.31 0.90 0.59 -0.54 0.00 0.00 174.62 175.90 1fat n ASN 34 N 1.09 -3.79 -4.25 3.99 3.02 -1.26 -4.72 115.26 109.34 1fat n ASN 34 Ca -0.20 -0.76 -0.14 0.00 -0.03 0.00 0.00 54.58 53.46 1fat n ASN 34 Cb 0.55 -1.05 -0.10 0.00 -0.61 0.00 0.00 39.78 38.56 1fat n ASN 34 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1fat s LEU 35 N -7.93 1.58 0.17 3.41 1.43 -1.26 -1.40 118.68 114.68 1fat s LEU 35 Ca 0.68 -1.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 1fat s LEU 35 Cb -0.15 0.15 0.00 0.00 0.03 0.00 0.00 46.19 46.22 1fat s LEU 35 CO 0.59 -0.74 0.00 -0.46 0.23 0.00 0.00 176.35 175.97 1fat n ASN 36 N -0.33 0.29 -3.98 2.29 6.94 -1.01 -4.50 115.26 114.95 1fat n ASN 36 Ca -0.01 0.28 -0.34 0.00 -0.02 0.00 0.00 54.58 54.49 1fat n ASN 36 Cb 0.65 0.08 -0.07 0.00 -2.36 0.00 0.00 39.78 38.09 1fat n ASN 36 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1fat n ASN 38 N -3.29 4.14 0.00 0.53 5.03 -1.26 -4.93 115.26 115.48 1fat n ASN 38 Ca 0.00 -3.21 0.00 0.00 0.87 0.00 0.00 54.58 52.24 1fat n ASN 38 Cb 0.00 -0.98 0.00 0.00 -1.02 0.00 0.00 39.78 37.78 1fat n ASN 38 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1fat n GLY 39 N 1.98 0.82 3.83 7.41 0.00 -1.26 -5.01 105.19 112.96 1fat n GLY 39 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 1fat n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fat s GLU 40 N -0.16 3.19 -0.00 1.61 0.41 -1.26 -5.02 118.70 117.47 1fat s GLU 40 Ca 0.00 -0.46 -0.34 0.00 -0.41 0.00 0.00 54.97 53.76 1fat s GLU 40 Cb 0.00 -2.93 -0.13 0.00 -1.78 0.00 0.00 34.13 29.29 1fat s GLU 40 CO 0.00 0.64 1.75 -2.30 -0.49 0.00 0.00 175.26 174.87 1fat n PRO 41 N 0.96 2.09 -2.14 0.39 -0.02 -1.26 -2.41 135.00 132.61 1fat n PRO 41 Ca -0.11 0.76 -0.36 0.00 -2.02 0.00 0.00 63.50 61.77 1fat n PRO 41 Cb 0.52 -2.57 0.01 0.00 -0.02 0.00 0.00 33.50 31.45 1fat n PRO 41 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1fat s ARG 42 N 2.83 3.33 0.32 -0.52 3.52 -0.50 -4.81 118.95 123.12 1fat s ARG 42 Ca 0.88 1.78 -0.18 0.00 -0.13 0.00 0.00 55.73 58.08 1fat s ARG 42 Cb -0.71 -2.12 -0.09 0.00 -1.56 0.00 0.00 34.95 30.47 1fat s ARG 42 CO 0.47 -0.91 0.79 0.08 -0.81 0.00 0.00 175.30 174.93 1fat s VAL 43 N -1.61 4.56 -1.55 7.11 1.01 -1.26 -3.98 120.40 124.68 1fat s VAL 43 Ca 0.72 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.91 1fat s VAL 43 Cb -0.29 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1fat s VAL 43 CO 0.33 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.95 1fat n GLY 44 N -0.07 -0.19 3.82 4.51 0.00 -0.49 -4.98 105.19 107.79 1fat n GLY 44 Ca 0.03 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 1fat n GLY 44 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1fat s SER 45 N -2.25 6.96 -0.11 1.61 0.15 -1.26 -4.88 113.70 113.93 1fat s SER 45 Ca 0.00 1.52 -0.04 0.00 0.70 0.00 0.00 55.95 58.13 1fat s SER 45 Cb 0.00 -2.47 0.05 0.00 -1.71 0.00 0.00 66.02 61.90 1fat s SER 45 CO 0.00 -0.20 0.22 -0.22 1.20 0.00 0.00 173.24 174.24 1fat s LEU 46 N -2.74 0.01 -0.08 3.45 0.20 -1.26 -1.45 118.68 116.82 1fat s LEU 46 Ca 0.54 0.48 -0.05 0.00 0.69 0.00 0.00 54.13 55.80 1fat s LEU 46 Cb -0.12 0.56 0.03 0.00 -0.43 0.00 0.00 46.19 46.23 1fat s LEU 46 CO 0.17 -0.22 0.19 -0.83 -0.29 0.00 0.00 176.35 175.37 1fat s GLY 47 N 2.01 -0.10 0.12 7.98 0.00 -0.47 -1.57 107.32 115.29 1fat s GLY 47 Ca -0.02 0.70 0.08 0.00 0.00 0.00 0.00 44.72 45.48 1fat s GLY 47 CO -0.08 0.84 -0.20 0.50 0.00 0.00 0.00 173.10 174.17 1fat s ARG 48 N 0.77 1.15 -0.12 2.90 0.52 -0.78 -1.61 118.95 121.78 1fat s ARG 48 Ca -0.06 -1.22 -0.06 0.00 -0.52 0.00 0.00 55.73 53.87 1fat s ARG 48 Cb -0.07 -1.36 0.05 0.00 0.52 0.00 0.00 34.95 34.08 1fat s ARG 48 CO -0.04 0.31 0.29 0.00 0.02 0.00 0.00 175.30 175.88 1fat s ALA 49 N -1.38 -0.70 0.13 2.13 0.00 -0.49 -0.30 121.76 121.16 1fat s ALA 49 Ca 0.08 1.15 0.05 0.00 0.00 0.00 0.00 51.96 53.24 1fat s ALA 49 Cb -0.09 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 1fat s ALA 49 CO 0.05 -0.22 -0.12 -0.06 0.00 0.00 0.00 175.76 175.41 1fat s PHE 50 N 1.31 1.28 0.20 0.00 0.08 0.02 -1.17 117.98 119.69 1fat s PHE 50 Ca -0.09 -0.65 -0.30 0.00 0.12 0.00 0.00 56.93 56.01 1fat s PHE 50 Cb -0.10 -0.67 -0.08 0.00 -0.57 0.00 0.00 43.02 41.60 1fat s PHE 50 CO -0.10 0.10 1.21 -0.47 -0.10 0.00 0.00 175.22 175.87 1fat s TYR 51 N -2.65 3.39 0.61 0.36 5.04 -0.02 0.18 117.35 124.26 1fat s TYR 51 Ca 0.11 1.40 0.38 0.00 -2.44 0.00 0.00 57.07 56.53 1fat s TYR 51 Cb -0.02 -3.46 2.15 0.00 0.35 0.00 0.00 41.96 40.98 1fat s TYR 51 CO 0.02 -1.31 2.31 0.66 -1.34 0.00 0.00 175.55 175.89 1fat h SER 52 N 5.13 0.00 -3.13 4.32 4.64 -1.40 -3.41 113.55 119.71 1fat h SER 52 Ca -0.45 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.26 1fat h SER 52 Cb 1.21 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.20 1fat h SER 52 CO 0.74 0.01 -0.48 0.00 -0.87 0.00 0.00 176.83 176.23 1fat s ALA 53 N -4.31 3.73 0.70 5.18 0.00 -1.26 -5.03 121.76 120.77 1fat s ALA 53 Ca -0.05 -0.66 -0.15 0.00 0.00 0.00 0.00 51.96 51.10 1fat s ALA 53 Cb 0.14 -2.14 0.02 0.00 0.00 0.00 0.00 23.12 21.14 1fat s ALA 53 CO 0.47 0.26 1.19 -2.14 0.00 0.00 0.00 175.76 175.54 1fat s PRO 54 N 0.04 2.36 -0.02 0.00 0.02 -1.26 -4.79 135.00 131.35 1fat s PRO 54 Ca 0.10 1.69 0.07 0.00 0.02 0.00 0.00 61.00 62.88 1fat s PRO 54 Cb -0.11 -1.87 -0.02 0.00 0.02 0.00 0.00 34.50 32.52 1fat s PRO 54 CO -0.00 -1.65 -0.23 0.42 -0.33 0.00 0.00 177.00 175.21 1fat s ILE 55 N -2.01 2.32 -0.37 2.83 -1.09 0.08 -4.95 121.20 118.02 1fat s ILE 55 Ca 0.73 -1.04 -0.18 0.00 -2.23 0.00 0.00 60.65 57.93 1fat s ILE 55 Cb -0.27 -1.84 0.00 0.00 -1.58 0.00 0.00 42.46 38.76 1fat s ILE 55 CO 0.43 0.56 0.50 -1.58 -1.23 0.00 0.00 174.94 173.62 1fat s GLN 56 N -0.71 3.50 0.03 2.79 0.74 -1.26 -0.95 119.66 123.79 1fat s GLN 56 Ca 0.11 -0.31 0.11 0.00 0.05 0.00 0.00 55.36 55.32 1fat s GLN 56 Cb -0.10 -3.85 -0.21 0.00 1.10 0.00 0.00 33.01 29.95 1fat s GLN 56 CO -0.00 -0.70 0.92 0.97 -0.55 0.00 0.00 175.29 175.93 1fat h ILE 57 N 5.65 1.15 -3.12 -2.34 6.09 0.85 -3.45 117.51 122.35 1fat h ILE 57 Ca -0.28 -2.93 0.02 0.00 -1.37 0.00 0.00 64.86 60.30 1fat h ILE 57 Cb 1.12 2.56 -0.08 0.00 0.47 0.00 0.00 36.82 40.89 1fat h ILE 57 CO 0.78 0.66 0.15 -1.66 -3.07 0.00 0.00 178.15 175.01 1fat s TRP 58 N -2.66 -0.22 -0.12 2.19 1.48 -1.01 -0.37 118.94 118.22 1fat s TRP 58 Ca -0.02 -0.14 0.01 0.00 -1.06 0.00 0.00 56.10 54.88 1fat s TRP 58 Cb 0.09 0.56 0.02 0.00 -1.16 0.00 0.00 33.47 32.98 1fat s TRP 58 CO 0.82 -1.05 -0.13 0.34 -4.06 0.00 0.00 176.95 172.88 1fat s ASP 59 N -2.87 2.41 0.30 -2.66 -1.08 0.31 -4.50 116.67 108.59 1fat s ASP 59 Ca 0.09 -0.41 0.13 0.00 -0.52 0.00 0.00 52.55 51.84 1fat s ASP 59 Cb -0.03 -1.04 0.43 0.00 -1.46 0.00 0.00 42.92 40.82 1fat s ASP 59 CO -0.00 -0.04 1.64 -1.13 0.52 0.00 0.00 175.17 176.15 1fat h ASN 60 N 7.78 0.00 0.03 -0.34 -1.24 -1.94 0.50 115.58 120.37 1fat h ASN 60 Ca -0.33 0.00 -0.19 0.00 0.71 0.00 0.00 56.30 56.48 1fat h ASN 60 Cb 1.15 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.20 1fat h ASN 60 CO 0.48 0.55 -0.70 0.71 -1.29 0.00 0.00 177.43 177.18 1fat h THR 61 N 0.00 1.32 0.00 -3.57 1.35 -1.97 -3.23 112.91 106.82 1fat h THR 61 Ca -0.01 -1.99 0.00 0.00 -0.55 0.00 0.00 66.41 63.86 1fat h THR 61 Cb 1.06 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.45 1fat h THR 61 CO 0.07 0.62 -1.52 0.35 -0.25 0.00 0.00 175.52 174.79 1fat n THR 62 N -3.91 0.20 -1.13 6.82 -2.24 -1.20 -4.97 114.28 107.86 1fat n THR 62 Ca -0.05 -0.45 -0.04 0.00 -2.27 0.00 0.00 64.05 61.24 1fat n THR 62 Cb 0.70 -0.01 -0.02 0.00 -2.10 0.00 0.00 70.33 68.90 1fat n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fat n GLY 63 N 1.27 0.71 3.92 3.38 0.00 0.17 -5.02 105.19 109.62 1fat n GLY 63 Ca -0.02 -0.50 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 1fat n GLY 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fat s THR 64 N -2.06 5.10 0.06 2.61 -4.23 -1.09 -4.89 115.64 111.15 1fat s THR 64 Ca 0.00 -0.24 0.08 0.00 -1.18 0.00 0.00 61.69 60.35 1fat s THR 64 Cb 0.00 -3.78 -0.03 0.00 1.34 0.00 0.00 72.50 70.03 1fat s THR 64 CO 0.00 -0.37 -0.21 -0.69 -0.54 0.00 0.00 174.62 172.81 1fat s VAL 65 N -2.11 1.69 0.40 2.29 1.01 -1.26 -0.53 120.40 121.88 1fat s VAL 65 Ca 0.41 -1.28 -0.15 0.00 0.00 0.00 0.00 61.98 60.95 1fat s VAL 65 Cb -0.10 -1.48 -0.09 0.00 0.00 0.00 0.00 36.38 34.71 1fat s VAL 65 CO 0.32 0.14 0.83 0.00 0.00 0.00 0.00 175.10 176.40 1fat s ALA 66 N -0.89 3.22 0.12 5.51 0.00 0.50 -4.44 121.76 125.79 1fat s ALA 66 Ca 0.07 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.12 1fat s ALA 66 Cb -0.09 -2.90 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 1fat s ALA 66 CO 0.02 0.11 0.28 -1.12 0.00 0.00 0.00 175.76 175.05 1fat s SER 67 N -2.60 6.37 0.25 0.00 0.01 -0.85 -4.41 113.70 112.47 1fat s SER 67 Ca 0.56 0.28 -0.15 0.00 1.31 0.00 0.00 55.95 57.95 1fat s SER 67 Cb -0.10 -1.96 0.00 0.00 0.21 0.00 0.00 66.02 64.17 1fat s SER 67 CO 0.22 0.08 0.54 0.72 0.41 0.00 0.00 173.24 175.21 1fat s PHE 68 N -1.66 0.22 -0.00 2.43 -0.12 -0.76 -1.51 117.98 116.57 1fat s PHE 68 Ca 0.36 -0.60 -0.25 0.00 -0.05 0.00 0.00 56.93 56.39 1fat s PHE 68 Cb -0.12 0.32 0.06 0.00 -0.63 0.00 0.00 43.02 42.65 1fat s PHE 68 CO 0.28 -1.05 0.56 0.00 -0.05 0.00 0.00 175.22 174.96 1fat s ALA 69 N -3.99 -1.43 0.09 1.99 0.00 -0.43 -1.01 121.76 116.97 1fat s ALA 69 Ca 0.19 0.86 -0.19 0.00 0.00 0.00 0.00 51.96 52.83 1fat s ALA 69 Cb -0.02 0.18 0.04 0.00 0.00 0.00 0.00 23.12 23.32 1fat s ALA 69 CO 0.08 -0.41 0.45 -0.08 0.00 0.00 0.00 175.76 175.80 1fat s THR 70 N -1.74 0.05 -0.15 0.00 -1.32 -0.46 -1.34 115.64 110.68 1fat s THR 70 Ca -0.09 -0.42 -0.17 0.00 -1.21 0.00 0.00 61.69 59.81 1fat s THR 70 Cb -0.01 -1.05 0.04 0.00 -1.51 0.00 0.00 72.50 69.97 1fat s THR 70 CO 0.04 -0.23 0.46 -0.94 -2.21 0.00 0.00 174.62 171.74 1fat s SER 71 N -2.40 -0.46 0.15 8.08 1.04 0.23 -1.88 113.70 118.47 1fat s SER 71 Ca -0.01 0.84 -0.14 0.00 0.48 0.00 0.00 55.95 57.12 1fat s SER 71 Cb 0.00 0.86 0.02 0.00 0.10 0.00 0.00 66.02 67.01 1fat s SER 71 CO -0.07 -0.21 0.39 0.72 0.98 0.00 0.00 173.24 175.05 1fat s PHE 72 N 0.03 -0.01 -0.19 5.02 -0.71 -1.05 -0.82 117.98 120.25 1fat s PHE 72 Ca -0.02 -0.34 0.01 0.00 -1.04 0.00 0.00 56.93 55.54 1fat s PHE 72 Cb -0.03 0.19 0.03 0.00 -1.21 0.00 0.00 43.02 42.00 1fat s PHE 72 CO 0.01 -0.75 -0.17 0.99 -1.34 0.00 0.00 175.22 173.97 1fat s THR 73 N -3.87 1.96 0.31 -4.49 2.01 -0.88 -1.13 115.64 109.56 1fat s THR 73 Ca 0.08 -1.02 0.11 0.00 0.31 0.00 0.00 61.69 61.16 1fat s THR 73 Cb 0.02 -1.86 -0.06 0.00 0.01 0.00 0.00 72.50 70.61 1fat s THR 73 CO -0.07 0.39 -0.14 0.72 -0.69 0.00 0.00 174.62 174.83 1fat s PHE 74 N 1.30 2.35 -0.07 4.92 -0.12 -0.85 0.53 117.98 126.03 1fat s PHE 74 Ca 0.02 -0.42 -0.03 0.00 -0.05 0.00 0.00 56.93 56.45 1fat s PHE 74 Cb -0.15 -1.20 0.04 0.00 -0.63 0.00 0.00 43.02 41.09 1fat s PHE 74 CO -0.11 0.65 0.07 1.21 -0.05 0.00 0.00 175.22 176.98 1fat s ASN 75 N -3.56 1.45 -0.18 1.98 3.84 0.20 -1.08 114.94 117.58 1fat s ASN 75 Ca 0.31 -0.09 -0.05 0.00 0.21 0.00 0.00 52.86 53.24 1fat s ASN 75 Cb -0.01 -0.17 -0.03 0.00 -0.55 0.00 0.00 41.25 40.49 1fat s ASN 75 CO 0.16 -0.27 -0.00 -0.63 -2.79 0.00 0.00 177.10 173.56 1fat s ILE 76 N 2.16 4.07 -0.10 -5.21 1.01 -1.26 -2.51 121.20 119.35 1fat s ILE 76 Ca 0.04 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.43 1fat s ILE 76 Cb -0.13 -2.82 0.02 0.00 0.01 0.00 0.00 42.46 39.53 1fat s ILE 76 CO -0.05 0.45 -0.14 -1.58 0.00 0.00 0.00 174.94 173.62 1fat s GLN 77 N 0.71 2.10 -0.16 2.79 0.74 -1.20 -0.57 119.66 124.07 1fat s GLN 77 Ca -0.00 -0.52 -0.07 0.00 0.05 0.00 0.00 55.36 54.82 1fat s GLN 77 Cb -0.14 -1.81 -0.04 0.00 1.10 0.00 0.00 33.01 32.12 1fat s GLN 77 CO 0.02 -0.07 0.10 0.08 -0.55 0.00 0.00 175.29 174.87 1fat s VAL 78 N 1.02 5.13 0.66 1.34 1.01 -1.26 -1.58 120.40 126.72 1fat s VAL 78 Ca -0.06 0.08 -0.14 0.00 0.00 0.00 0.00 61.98 61.85 1fat s VAL 78 Cb -0.15 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1fat s VAL 78 CO -0.02 0.52 1.09 -2.16 0.00 0.00 0.00 175.10 174.53 1fat s PRO 79 N -0.18 2.84 0.30 2.72 0.04 -1.26 -4.97 135.00 134.49 1fat s PRO 79 Ca 0.09 1.30 -0.29 0.00 0.04 0.00 0.00 61.00 62.14 1fat s PRO 79 Cb -0.12 -1.96 -0.13 0.00 0.04 0.00 0.00 34.50 32.33 1fat s PRO 79 CO 0.01 -1.20 1.32 0.09 0.04 0.00 0.00 177.00 177.26 1fat n ASN 80 N -2.53 2.70 -3.36 6.66 3.02 -1.26 -2.90 115.26 117.59 1fat n ASN 80 Ca 0.10 1.18 -0.17 0.00 -0.03 0.00 0.00 54.58 55.66 1fat n ASN 80 Cb 0.52 -1.46 0.05 0.00 -0.61 0.00 0.00 39.78 38.28 1fat n ASN 80 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1fat n ASN 81 N 1.32 -6.43 -3.54 6.41 3.02 -1.26 -5.01 115.26 109.77 1fat n ASN 81 Ca 0.07 -0.68 -0.08 0.00 -0.03 0.00 0.00 54.58 53.86 1fat n ASN 81 Cb 0.34 -4.54 -0.02 0.00 -0.61 0.00 0.00 39.78 34.95 1fat n ASN 81 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fat s ALA 82 N -3.31 -1.78 0.17 5.41 0.00 -1.14 -5.01 121.76 116.08 1fat s ALA 82 Ca 0.35 0.83 0.11 0.00 0.00 0.00 0.00 51.96 53.25 1fat s ALA 82 Cb -0.08 0.48 -0.04 0.00 0.00 0.00 0.00 23.12 23.48 1fat s ALA 82 CO 0.78 -0.75 -0.25 0.20 0.00 0.00 0.00 175.76 175.74 1fat s GLY 83 N -2.58 1.63 0.41 0.00 0.00 0.14 -4.83 107.32 102.09 1fat s GLY 83 Ca 0.06 -1.56 -0.27 0.00 0.00 0.00 0.00 44.72 42.95 1fat s GLY 83 CO -0.07 -1.57 1.44 -4.14 0.00 0.00 0.00 173.10 168.76 1fat s PRO 84 N -2.44 3.93 0.00 2.90 0.02 -1.26 -1.32 135.00 136.82 1fat s PRO 84 Ca 0.18 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.66 1fat s PRO 84 Cb -0.09 -2.82 0.00 0.00 0.02 0.00 0.00 34.50 31.61 1fat s PRO 84 CO 0.08 -0.64 0.00 0.00 -0.33 0.00 0.00 177.00 176.11 1fat n ALA 85 N 0.17 0.00 -0.03 -1.55 0.00 -1.26 -4.49 120.51 113.35 1fat n ALA 85 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.47 1fat n ALA 85 Cb 0.41 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.77 1fat n ALA 85 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1fat n ASP 86 N 0.00 2.46 0.00 0.00 -0.08 -0.68 -2.69 116.55 115.56 1fat n ASP 86 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1fat n ASP 86 Cb 0.00 1.10 0.00 0.00 2.34 0.00 0.00 41.12 44.56 1fat n ASP 86 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1fat n GLY 87 N 2.14 0.11 2.98 0.27 0.00 -1.22 -2.37 105.19 107.10 1fat n GLY 87 Ca -0.10 -1.51 -0.11 0.00 0.00 0.00 0.00 46.02 44.30 1fat n GLY 87 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1fat s LEU 88 N 0.00 1.87 -0.02 0.99 0.20 -0.33 -2.84 118.68 118.55 1fat s LEU 88 Ca 0.00 -0.13 -0.10 0.00 0.69 0.00 0.00 54.13 54.59 1fat s LEU 88 Cb 0.00 0.27 0.01 0.00 -0.43 0.00 0.00 46.19 46.04 1fat s LEU 88 CO 0.00 -0.17 0.21 0.00 -0.29 0.00 0.00 176.35 176.10 1fat s ALA 89 N -0.69 -0.52 -0.18 5.97 0.00 -0.10 0.74 121.76 126.98 1fat s ALA 89 Ca -0.08 0.17 -0.09 0.00 0.00 0.00 0.00 51.96 51.96 1fat s ALA 89 Cb -0.05 0.00 -0.05 0.00 0.00 0.00 0.00 23.12 23.03 1fat s ALA 89 CO 0.00 -0.21 0.13 0.12 0.00 0.00 0.00 175.76 175.80 1fat s PHE 90 N -1.07 3.44 0.05 0.00 5.36 -0.55 -1.16 117.98 124.05 1fat s PHE 90 Ca -0.11 0.35 0.01 0.00 -0.96 0.00 0.00 56.93 56.22 1fat s PHE 90 Cb -0.06 -2.11 -0.03 0.00 -0.34 0.00 0.00 43.02 40.48 1fat s PHE 90 CO 0.02 0.37 -0.06 0.00 -1.46 0.00 0.00 175.22 174.09 1fat s ALA 91 N 0.11 0.58 -0.23 11.12 0.00 0.11 -1.47 121.76 131.98 1fat s ALA 91 Ca 0.09 -0.93 -0.03 0.00 0.00 0.00 0.00 51.96 51.09 1fat s ALA 91 Cb -0.11 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.14 1fat s ALA 91 CO -0.01 -0.14 -0.06 -0.51 0.00 0.00 0.00 175.76 175.04 1fat s LEU 92 N -2.09 2.97 0.16 0.00 1.02 0.01 -1.73 118.68 119.02 1fat s LEU 92 Ca -0.04 -0.63 0.04 0.00 0.02 0.00 0.00 54.13 53.52 1fat s LEU 92 Cb -0.04 -1.69 -0.05 0.00 0.02 0.00 0.00 46.19 44.44 1fat s LEU 92 CO -0.02 -0.07 -0.06 0.54 0.02 0.00 0.00 176.35 176.75 1fat s VAL 93 N 1.40 1.03 0.66 -1.59 0.11 -0.81 -2.30 120.40 118.89 1fat s VAL 93 Ca 0.03 -2.03 -0.17 0.00 -2.93 0.00 0.00 61.98 56.88 1fat s VAL 93 Cb -0.15 -1.98 -0.00 0.00 -1.53 0.00 0.00 36.38 32.72 1fat s VAL 93 CO -0.05 -0.63 1.25 -2.84 -3.33 0.00 0.00 175.10 169.51 1fat s PRO 94 N -3.80 2.53 0.17 1.54 0.02 -1.26 -0.50 135.00 133.70 1fat s PRO 94 Ca 0.20 1.93 -0.19 0.00 0.02 0.00 0.00 61.00 62.97 1fat s PRO 94 Cb 0.04 -1.86 0.09 0.00 0.02 0.00 0.00 34.50 32.79 1fat s PRO 94 CO 0.02 -1.58 1.65 0.28 -0.33 0.00 0.00 177.00 177.04 1fat h VAL 95 N 0.40 0.48 -0.50 3.83 2.07 -1.89 -1.48 116.25 119.17 1fat h VAL 95 Ca -0.50 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1fat h VAL 95 Cb 1.32 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1fat h VAL 95 CO 0.53 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.73 1fat n GLY 96 N -1.35 1.91 3.37 2.17 0.00 -1.26 -4.73 105.19 105.29 1fat n GLY 96 Ca 0.02 -0.62 -0.56 0.00 0.00 0.00 0.00 46.02 44.87 1fat n GLY 96 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1fat n SER 97 N 0.85 -0.13 -4.82 1.61 2.88 -0.56 -4.98 113.62 108.47 1fat n SER 97 Ca 0.19 1.12 -0.22 0.00 -1.33 0.00 0.00 58.87 58.62 1fat n SER 97 Cb 0.63 -0.89 -0.05 0.00 -0.75 0.00 0.00 64.21 63.15 1fat n SER 97 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1fat s GLN 98 N -0.10 2.90 0.67 -1.46 -1.52 -1.26 -5.03 119.66 113.86 1fat s GLN 98 Ca 0.85 -1.05 -0.17 0.00 -1.95 0.00 0.00 55.36 53.04 1fat s GLN 98 Cb -1.19 -2.56 -0.01 0.00 -0.22 0.00 0.00 33.01 29.03 1fat s GLN 98 CO 0.55 0.41 1.08 -2.30 -0.25 0.00 0.00 175.29 174.78 1fat n PRO 99 N -1.09 0.78 0.00 2.91 -0.02 -1.26 -5.03 135.00 131.28 1fat n PRO 99 Ca -0.08 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1fat n PRO 99 Cb 0.58 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1fat n PRO 99 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1fat n LYS 100 N -1.75 2.66 -1.50 -0.52 4.76 0.15 -5.03 118.16 116.94 1fat n LYS 100 Ca 0.14 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.27 1fat n LYS 100 Cb 0.49 0.00 0.06 0.00 -1.84 0.00 0.00 35.03 33.74 1fat n LYS 100 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1fat s ASP 101 N -0.04 5.01 0.81 4.39 1.11 -0.61 -4.75 116.67 122.60 1fat s ASP 101 Ca 0.00 1.76 -0.04 0.00 0.18 0.00 0.00 52.55 54.45 1fat s ASP 101 Cb 0.00 -2.51 0.08 0.00 1.07 0.00 0.00 42.92 41.55 1fat s ASP 101 CO 0.00 -1.69 0.49 0.29 1.18 0.00 0.00 175.17 175.43 1fat n LYS 102 N -3.13 -0.18 0.00 8.23 5.02 -1.26 -0.92 118.16 125.91 1fat n LYS 102 Ca 0.09 -0.94 0.00 0.00 -2.02 0.00 0.00 58.31 55.43 1fat n LYS 102 Cb 0.53 -0.44 0.00 0.00 -0.02 0.00 0.00 35.03 35.10 1fat n LYS 102 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fat n GLY 103 N 1.64 2.70 0.25 0.72 0.00 -1.25 -1.81 105.19 107.44 1fat n GLY 103 Ca 0.07 0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.35 1fat n GLY 103 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1fat h GLY 104 N 0.00 0.00 -0.12 -0.02 0.00 -1.91 0.23 103.07 101.25 1fat h GLY 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1fat h GLY 104 CO 0.00 0.00 -0.01 0.69 0.00 0.00 0.00 176.54 177.22 1fat n PHE 105 N -2.48 0.00 -0.87 5.60 3.72 -0.75 -4.91 117.46 117.77 1fat n PHE 105 Ca -0.01 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.35 1fat n PHE 105 Cb 0.34 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 38.86 1fat n PHE 105 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1fat n LEU 106 N -0.11 0.33 0.00 4.37 4.77 0.82 -1.47 117.00 125.72 1fat n LEU 106 Ca 0.20 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1fat n LEU 106 Cb 0.30 -1.99 0.00 0.00 -2.33 0.00 0.00 43.42 39.40 1fat n LEU 106 CO 0.17 -0.73 0.00 0.61 -1.33 0.00 0.00 177.39 176.11 1fat n GLY 107 N 0.51 2.35 0.08 -0.72 0.00 -0.10 -3.57 105.19 103.74 1fat n GLY 107 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 1fat n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fat n LEU 108 N 0.00 0.43 -4.54 0.99 4.77 -0.54 0.34 117.00 118.44 1fat n LEU 108 Ca 0.00 0.19 -0.25 0.00 -0.03 0.00 0.00 56.01 55.92 1fat n LEU 108 Cb 0.00 0.21 -0.10 0.00 -2.33 0.00 0.00 43.42 41.20 1fat n LEU 108 CO 0.00 0.26 -0.25 -0.36 -1.33 0.00 0.00 177.39 175.71 1fat s PHE 109 N -2.86 1.99 -0.02 -1.77 0.08 -0.98 -4.80 117.98 109.63 1fat s PHE 109 Ca -0.06 -0.99 0.00 0.00 0.12 0.00 0.00 56.93 56.00 1fat s PHE 109 Cb 0.09 -1.38 -0.01 0.00 -0.57 0.00 0.00 43.02 41.14 1fat s PHE 109 CO 0.84 0.03 -0.01 -0.25 -0.10 0.00 0.00 175.22 175.73 1fat n ASP 110 N -0.97 4.09 0.00 1.36 9.92 -1.26 -1.57 116.55 128.12 1fat n ASP 110 Ca -0.06 -0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 1fat n ASP 110 Cb 0.66 0.14 0.00 0.00 -0.64 0.00 0.00 41.12 41.28 1fat n ASP 110 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1fat n GLY 111 N 3.26 0.80 0.43 0.44 0.00 -1.26 -4.94 105.19 103.92 1fat n GLY 111 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 1fat n GLY 111 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fat n SER 112 N 0.00 0.21 -1.12 1.61 3.41 -1.26 -5.03 113.62 111.44 1fat n SER 112 Ca 0.00 -1.16 -0.04 0.00 -0.26 0.00 0.00 58.87 57.41 1fat n SER 112 Cb 0.00 -0.05 0.18 0.00 -0.26 0.00 0.00 64.21 64.08 1fat n SER 112 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1fat n ASN 113 N -2.95 2.58 -4.77 4.04 3.02 -1.26 -4.98 115.26 110.95 1fat n ASN 113 Ca 0.02 -3.83 -0.39 0.00 -0.03 0.00 0.00 54.58 50.35 1fat n ASN 113 Cb 0.07 -0.59 -0.05 0.00 -0.61 0.00 0.00 39.78 38.60 1fat n ASN 113 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1fat s SER 114 N -2.82 7.21 -0.16 6.41 0.01 -1.26 -4.97 113.70 118.12 1fat s SER 114 Ca 0.44 2.10 -0.29 0.00 1.31 0.00 0.00 55.95 59.51 1fat s SER 114 Cb 0.40 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 64.02 1fat s SER 114 CO -0.02 -0.17 1.09 0.21 0.41 0.00 0.00 173.24 174.76 1fat s ASN 115 N -1.20 7.11 0.00 2.44 3.04 -1.26 -4.90 114.94 120.17 1fat s ASN 115 Ca 0.48 1.54 0.24 0.00 0.04 0.00 0.00 52.86 55.16 1fat s ASN 115 Cb -0.27 -2.55 0.27 0.00 -1.54 0.00 0.00 41.25 37.16 1fat s ASN 115 CO 0.34 -0.61 1.25 0.49 -3.04 0.00 0.00 177.10 175.53 1fat n PHE 116 N 5.83 0.00 -3.99 0.43 3.72 -1.26 -4.95 117.46 117.24 1fat n PHE 116 Ca 0.11 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.22 1fat n PHE 116 Cb 0.47 -0.14 -0.01 0.00 -0.94 0.00 0.00 39.48 38.86 1fat n PHE 116 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1fat n HIS 117 N -1.31 -1.82 -4.62 1.38 8.25 -1.26 -4.67 115.22 111.16 1fat n HIS 117 Ca 0.06 0.80 -0.26 0.00 -0.26 0.00 0.00 57.72 58.06 1fat n HIS 117 Cb 0.34 -3.64 -0.14 0.00 1.12 0.00 0.00 29.99 27.68 1fat n HIS 117 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1fat s THR 118 N -3.62 1.81 -0.02 1.59 2.01 -1.26 -4.11 115.64 112.04 1fat s THR 118 Ca 0.33 -1.33 0.01 0.00 0.31 0.00 0.00 61.69 61.01 1fat s THR 118 Cb -0.17 -1.58 0.01 0.00 0.01 0.00 0.00 72.50 70.77 1fat s THR 118 CO 0.88 0.19 -0.03 -0.69 -0.69 0.00 0.00 174.62 174.28 1fat s VAL 119 N -0.87 0.32 0.10 3.82 1.01 -0.97 -1.24 120.40 122.56 1fat s VAL 119 Ca 0.09 -0.08 -0.15 0.00 0.00 0.00 0.00 61.98 61.83 1fat s VAL 119 Cb -0.09 -0.33 0.03 0.00 0.00 0.00 0.00 36.38 35.99 1fat s VAL 119 CO 0.02 0.13 0.37 0.00 0.00 0.00 0.00 175.10 175.63 1fat s ALA 120 N 0.45 -0.84 -0.22 5.51 0.00 -0.25 -0.81 121.76 125.60 1fat s ALA 120 Ca -0.05 -0.07 0.01 0.00 0.00 0.00 0.00 51.96 51.85 1fat s ALA 120 Cb -0.08 0.60 0.03 0.00 0.00 0.00 0.00 23.12 23.67 1fat s ALA 120 CO -0.01 -0.59 -0.14 0.08 0.00 0.00 0.00 175.76 175.11 1fat s VAL 121 N -3.55 2.31 0.16 0.00 1.01 -0.54 -0.16 120.40 119.63 1fat s VAL 121 Ca 0.02 -1.11 0.03 0.00 0.00 0.00 0.00 61.98 60.92 1fat s VAL 121 Cb 0.02 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1fat s VAL 121 CO -0.10 0.32 0.24 -1.83 0.00 0.00 0.00 175.10 173.74 1fat s GLU 122 N 1.26 3.28 -0.53 2.72 -1.05 0.76 -1.48 118.70 123.66 1fat s GLU 122 Ca 0.01 -0.69 0.04 0.00 -0.15 0.00 0.00 54.97 54.17 1fat s GLU 122 Cb -0.16 -2.87 0.15 0.00 -0.44 0.00 0.00 34.13 30.81 1fat s GLU 122 CO -0.09 0.51 0.32 -0.06 0.95 0.00 0.00 175.26 176.89 1fat s PHE 123 N -1.76 2.71 -0.35 4.83 0.40 0.23 -1.26 117.98 122.77 1fat s PHE 123 Ca 0.33 -2.90 -0.28 0.00 -0.60 0.00 0.00 56.93 53.48 1fat s PHE 123 Cb -0.11 -2.32 0.02 0.00 0.51 0.00 0.00 43.02 41.13 1fat s PHE 123 CO 0.27 -0.71 1.05 0.34 0.70 0.00 0.00 175.22 176.87 1fat s ASP 124 N -0.36 6.84 -0.01 1.36 -1.08 -0.69 -1.18 116.67 121.55 1fat s ASP 124 Ca 0.21 0.88 0.18 0.00 -0.52 0.00 0.00 52.55 53.30 1fat s ASP 124 Cb -0.17 -2.53 0.52 0.00 -1.46 0.00 0.00 42.92 39.28 1fat s ASP 124 CO -0.06 -0.93 1.44 0.35 0.52 0.00 0.00 175.17 176.49 1fat n THR 125 N 6.02 1.06 -3.71 1.71 -2.24 -1.00 -2.93 114.28 113.18 1fat n THR 125 Ca 0.11 -1.02 -0.12 0.00 -2.27 0.00 0.00 64.05 60.75 1fat n THR 125 Cb 0.48 0.47 -0.12 0.00 -2.10 0.00 0.00 70.33 69.06 1fat n THR 125 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1fat s LEU 126 N -1.07 0.21 0.13 3.22 2.96 -1.24 -4.35 118.68 118.54 1fat s LEU 126 Ca 0.39 0.68 -0.31 0.00 -0.22 0.00 0.00 54.13 54.68 1fat s LEU 126 Cb 0.21 1.00 -0.08 0.00 0.50 0.00 0.00 46.19 47.83 1fat s LEU 126 CO 0.26 -0.18 1.30 -0.47 -1.32 0.00 0.00 176.35 175.94 1fat s TYR 127 N 1.29 3.32 -0.33 5.38 5.04 -1.26 -4.99 117.35 125.81 1fat s TYR 127 Ca -0.09 1.17 0.04 0.00 -2.44 0.00 0.00 57.07 55.74 1fat s TYR 127 Cb -0.09 -3.56 0.10 0.00 0.35 0.00 0.00 41.96 38.75 1fat s TYR 127 CO -0.10 -1.82 0.03 -0.80 -1.34 0.00 0.00 175.55 171.52 1fat s ASN 128 N 0.79 4.71 0.15 4.32 -0.87 -1.26 -5.00 114.94 117.78 1fat s ASN 128 Ca 0.60 -2.06 -0.04 0.00 -1.57 0.00 0.00 52.86 49.78 1fat s ASN 128 Cb -0.34 -1.60 0.24 0.00 -0.02 0.00 0.00 41.25 39.53 1fat s ASN 128 CO 0.33 -0.36 0.83 1.17 -2.57 0.00 0.00 177.10 176.49 1fat n LYS 129 N 4.29 -0.05 0.25 -0.60 3.00 -1.26 -0.70 118.16 123.09 1fat n LYS 129 Ca 0.02 0.83 0.15 0.00 -0.00 0.00 0.00 58.31 59.30 1fat n LYS 129 Cb 0.42 -1.23 0.84 0.00 0.00 0.00 0.00 35.03 35.06 1fat n LYS 129 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1fat h ASP 130 N 0.00 0.00 0.00 3.14 5.19 -2.02 -3.38 116.42 119.36 1fat h ASP 130 Ca 0.25 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.66 1fat h ASP 130 Cb 0.39 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.90 1fat h ASP 130 CO -0.54 0.00 0.00 -2.67 -3.12 0.00 0.00 179.24 172.91 1fat n TRP 131 N -3.96 0.00 -2.49 4.55 2.14 -0.55 -5.13 117.44 112.00 1fat n TRP 131 Ca -0.01 0.00 -0.32 0.00 2.07 0.00 0.00 57.50 59.24 1fat n TRP 131 Cb 0.18 0.00 -0.04 0.00 -0.81 0.00 0.00 31.31 30.64 1fat n TRP 131 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1fat s ASP 132 N 0.00 6.63 0.76 -0.67 1.01 0.12 -4.79 116.67 119.73 1fat s ASP 132 Ca 0.00 1.51 -0.12 0.00 0.71 0.00 0.00 52.55 54.65 1fat s ASP 132 Cb 0.00 -2.48 0.05 0.00 1.01 0.00 0.00 42.92 41.50 1fat s ASP 132 CO 0.00 -0.54 1.11 -2.16 0.21 0.00 0.00 175.17 173.78 1fat s PRO 133 N -3.98 2.38 0.37 8.23 0.04 -1.26 -4.75 135.00 136.03 1fat s PRO 133 Ca 0.58 0.49 0.07 0.00 0.04 0.00 0.00 61.00 62.17 1fat s PRO 133 Cb -0.10 -1.96 0.73 0.00 0.04 0.00 0.00 34.50 33.20 1fat s PRO 133 CO 0.30 -1.38 1.93 1.15 0.04 0.00 0.00 177.00 179.05 1fat h THR 134 N -0.91 1.17 -2.39 1.26 2.02 -1.97 -3.44 112.91 108.64 1fat h THR 134 Ca -0.46 -0.63 -0.52 0.00 0.77 0.00 0.00 66.41 65.57 1fat h THR 134 Cb 1.27 0.91 -0.05 0.00 -1.74 0.00 0.00 68.15 68.55 1fat h THR 134 CO 0.62 0.22 -0.52 -1.61 0.37 0.00 0.00 175.52 174.60 1fat s GLU 135 N -5.03 3.05 0.24 6.66 2.02 -1.26 -4.81 118.70 119.57 1fat s GLU 135 Ca -0.07 -0.90 -0.31 0.00 0.02 0.00 0.00 54.97 53.70 1fat s GLU 135 Cb 0.16 -2.68 -0.13 0.00 0.10 0.00 0.00 34.13 31.58 1fat s GLU 135 CO 0.75 0.44 1.55 0.54 0.02 0.00 0.00 175.26 178.56 1fat n ARG 136 N -0.89 2.41 -4.20 1.61 1.74 -1.26 -4.87 116.66 111.20 1fat n ARG 136 Ca -0.08 0.86 -0.12 0.00 -0.77 0.00 0.00 57.85 57.74 1fat n ARG 136 Cb 0.56 -2.61 -0.10 0.00 -1.02 0.00 0.00 32.46 29.29 1fat n ARG 136 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 1fat s HIS 137 N 0.32 1.08 -0.15 -1.55 -3.43 -1.15 -0.01 115.29 110.40 1fat s HIS 137 Ca 0.70 -1.21 -0.05 0.00 -0.80 0.00 0.00 55.06 53.70 1fat s HIS 137 Cb -0.58 -0.59 -0.04 0.00 -1.43 0.00 0.00 32.58 29.94 1fat s HIS 137 CO 0.45 -0.45 0.03 0.42 -2.00 0.00 0.00 174.74 173.19 1fat s ILE 138 N -3.95 4.54 0.02 -5.38 1.01 -0.70 -1.70 121.20 115.04 1fat s ILE 138 Ca 0.29 -0.14 -0.00 0.00 0.00 0.00 0.00 60.65 60.79 1fat s ILE 138 Cb 0.07 -2.99 -0.02 0.00 0.01 0.00 0.00 42.46 39.53 1fat s ILE 138 CO 0.06 0.52 -0.02 -0.83 0.00 0.00 0.00 174.94 174.67 1fat s GLY 139 N -0.07 0.22 -0.39 6.18 0.00 -0.39 -1.88 107.32 110.99 1fat s GLY 139 Ca 0.05 -0.53 -0.16 0.00 0.00 0.00 0.00 44.72 44.09 1fat s GLY 139 CO 0.02 -0.60 0.36 -0.42 0.00 0.00 0.00 173.10 172.45 1fat s ILE 140 N -1.37 5.18 -0.18 0.90 1.01 -0.78 -0.17 121.20 125.78 1fat s ILE 140 Ca -0.15 -0.32 -0.07 0.00 0.00 0.00 0.00 60.65 60.11 1fat s ILE 140 Cb -0.09 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 1fat s ILE 140 CO -0.01 -0.26 0.06 -1.81 0.00 0.00 0.00 174.94 172.93 1fat s ASP 141 N 1.74 5.64 -0.36 3.58 1.01 0.77 -0.24 116.67 128.82 1fat s ASP 141 Ca 0.09 0.08 0.02 0.00 0.71 0.00 0.00 52.55 53.45 1fat s ASP 141 Cb -0.17 -1.97 0.11 0.00 1.01 0.00 0.00 42.92 41.90 1fat s ASP 141 CO 0.12 0.17 0.12 -0.69 0.21 0.00 0.00 175.17 175.10 1fat s VAL 142 N 0.40 1.63 0.00 -1.27 1.01 -1.26 -1.09 120.40 119.81 1fat s VAL 142 Ca 0.03 -2.12 0.00 0.00 0.00 0.00 0.00 61.98 59.89 1fat s VAL 142 Cb -0.12 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.07 1fat s VAL 142 CO 0.00 -0.70 0.00 0.59 0.00 0.00 0.00 175.10 174.99 1fat n ASN 143 N 4.25 -2.89 -3.68 3.32 3.02 -0.38 -4.96 115.26 113.93 1fat n ASN 143 Ca 0.03 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.44 1fat n ASN 143 Cb 0.40 -1.74 -0.09 0.00 -0.61 0.00 0.00 39.78 37.74 1fat n ASN 143 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1fat s SER 144 N -2.18 -0.56 0.00 6.41 0.15 -1.26 -4.68 113.70 111.58 1fat s SER 144 Ca 0.00 1.07 0.10 0.00 0.70 0.00 0.00 55.95 57.82 1fat s SER 144 Cb 0.00 1.08 0.58 0.00 -1.71 0.00 0.00 66.02 65.98 1fat s SER 144 CO 0.00 -0.21 1.09 0.00 1.20 0.00 0.00 173.24 175.32 1fat n ILE 145 N 2.70 0.19 -3.19 6.45 0.13 -1.26 -4.02 119.36 120.35 1fat n ILE 145 Ca -0.14 0.05 -0.46 0.00 -1.10 0.00 0.00 62.75 61.10 1fat n ILE 145 Cb 0.56 -0.89 -0.02 0.00 -0.84 0.00 0.00 39.64 38.46 1fat n ILE 145 CO 0.00 0.00 0.00 -0.60 2.80 0.00 0.00 176.55 178.75 1fat s ARG 146 N -2.14 3.65 0.14 9.51 3.52 -1.26 -4.91 118.95 127.46 1fat s ARG 146 Ca 0.14 -2.28 -0.33 0.00 -0.13 0.00 0.00 55.73 53.12 1fat s ARG 146 Cb 0.07 -4.61 -0.17 0.00 -1.56 0.00 0.00 34.95 28.67 1fat s ARG 146 CO 0.13 -1.46 0.94 0.43 -0.81 0.00 0.00 175.30 174.53 1fat n SER 147 N 4.78 0.21 0.17 -2.12 7.64 -1.26 -4.78 113.62 118.27 1fat n SER 147 Ca 0.18 1.15 0.13 0.00 1.01 0.00 0.00 58.87 61.34 1fat n SER 147 Cb 0.47 -1.06 0.56 0.00 -1.01 0.00 0.00 64.21 63.17 1fat n SER 147 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 1fat h ILE 148 N 2.23 0.00 -1.35 0.44 -0.00 -0.93 -3.45 117.51 114.45 1fat h ILE 148 Ca -0.41 -0.27 0.20 0.00 -0.00 0.00 0.00 64.86 64.39 1fat h ILE 148 Cb 1.39 1.04 -0.23 0.00 -0.00 0.00 0.00 36.82 39.03 1fat h ILE 148 CO 0.64 0.00 0.79 -0.75 -0.00 0.00 0.00 178.15 178.84 1fat s LYS 149 N -3.43 0.29 0.34 2.19 2.20 -1.24 -5.01 119.74 115.08 1fat s LYS 149 Ca 0.03 -0.00 -0.08 0.00 -0.36 0.00 0.00 55.97 55.55 1fat s LYS 149 Cb 0.09 0.14 0.02 0.00 -1.51 0.00 0.00 37.83 36.57 1fat s LYS 149 CO 0.41 -0.11 0.58 0.95 -0.36 0.00 0.00 175.35 176.82 1fat s THR 150 N -1.58 0.00 -0.08 3.43 -4.23 -1.26 -1.86 115.64 110.06 1fat s THR 150 Ca 0.06 -1.38 -0.20 0.00 -1.18 0.00 0.00 61.69 58.99 1fat s THR 150 Cb -0.01 -2.63 0.04 0.00 1.34 0.00 0.00 72.50 71.24 1fat s THR 150 CO -0.04 0.00 0.48 0.28 -0.54 0.00 0.00 174.62 174.79 1fat s THR 151 N -2.99 0.02 0.26 3.99 -1.32 -0.79 -4.99 115.64 109.83 1fat s THR 151 Ca 0.24 -0.19 -0.30 0.00 -1.21 0.00 0.00 61.69 60.24 1fat s THR 151 Cb -0.02 -0.75 -0.10 0.00 -1.51 0.00 0.00 72.50 70.11 1fat s THR 151 CO 0.16 -0.10 1.48 -0.60 -2.21 0.00 0.00 174.62 173.35 1fat s ARG 152 N -0.78 4.23 -0.12 7.08 3.52 -1.26 -1.72 118.95 129.90 1fat s ARG 152 Ca -0.08 2.38 0.01 0.00 -0.13 0.00 0.00 55.73 57.90 1fat s ARG 152 Cb -0.03 -3.09 0.02 0.00 -1.56 0.00 0.00 34.95 30.29 1fat s ARG 152 CO 0.05 -0.48 -0.14 -0.46 -0.81 0.00 0.00 175.30 173.46 1fat s TRP 153 N -0.00 1.98 -1.10 5.12 -0.00 0.98 -4.79 118.94 121.13 1fat s TRP 153 Ca 0.60 -0.99 -0.16 0.00 -0.00 0.00 0.00 56.10 55.55 1fat s TRP 153 Cb -0.43 -1.45 0.15 0.00 -0.00 0.00 0.00 33.47 31.73 1fat s TRP 153 CO 0.44 -0.54 1.33 -0.51 -0.00 0.00 0.00 176.95 177.67 1fat s ASP 154 N 1.21 6.87 -0.07 5.86 1.01 -1.26 -4.43 116.67 125.86 1fat s ASP 154 Ca -0.02 -2.55 -0.35 0.00 0.71 0.00 0.00 52.55 50.34 1fat s ASP 154 Cb -0.14 -2.41 -0.13 0.00 1.01 0.00 0.00 42.92 41.25 1fat s ASP 154 CO -0.05 -0.91 1.80 0.33 0.21 0.00 0.00 175.17 176.54 1fat n PHE 155 N 6.21 2.25 -4.07 4.23 7.35 -1.26 -4.96 117.46 127.22 1fat n PHE 155 Ca 0.32 0.13 -0.35 0.00 -0.76 0.00 0.00 57.45 56.80 1fat n PHE 155 Cb 0.46 -2.61 -0.13 0.00 0.35 0.00 0.00 39.48 37.55 1fat n PHE 155 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1fat s VAL 156 N 3.37 3.60 0.11 -2.13 1.01 -1.26 -5.09 120.40 120.01 1fat s VAL 156 Ca 0.91 -0.43 -0.31 0.00 0.00 0.00 0.00 61.98 62.16 1fat s VAL 156 Cb -0.75 -2.62 -0.07 0.00 0.00 0.00 0.00 36.38 32.94 1fat s VAL 156 CO 0.51 0.43 1.25 0.21 0.00 0.00 0.00 175.10 177.51 1fat s ASN 157 N 1.16 7.01 0.00 3.32 3.04 -1.26 -3.74 114.94 124.47 1fat s ASN 157 Ca 0.02 2.16 0.00 0.00 0.04 0.00 0.00 52.86 55.08 1fat s ASN 157 Cb -0.15 -2.59 0.00 0.00 -1.54 0.00 0.00 41.25 36.98 1fat s ASN 157 CO -0.00 -0.49 0.00 0.61 -3.04 0.00 0.00 177.10 174.18 1fat n GLY 158 N 3.02 0.67 3.87 1.21 0.00 0.27 -4.97 105.19 109.26 1fat n GLY 158 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1fat n GLY 158 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fat s GLU 159 N -0.33 3.77 0.04 1.61 0.41 -1.25 -4.91 118.70 118.04 1fat s GLU 159 Ca 0.00 0.19 -0.30 0.00 -0.41 0.00 0.00 54.97 54.44 1fat s GLU 159 Cb 0.00 -2.81 -0.05 0.00 -1.78 0.00 0.00 34.13 29.50 1fat s GLU 159 CO 0.00 0.43 1.14 -0.80 -0.49 0.00 0.00 175.26 175.54 1fat s ASN 160 N -2.18 7.16 -0.12 -0.19 0.01 -1.26 -4.41 114.94 113.96 1fat s ASN 160 Ca 0.42 1.91 -0.04 0.00 -0.71 0.00 0.00 52.86 54.44 1fat s ASN 160 Cb -0.12 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 38.92 1fat s ASN 160 CO 0.21 -0.42 0.03 0.00 -1.51 0.00 0.00 177.10 175.42 1fat s ALA 161 N 1.08 3.39 -0.39 0.60 0.00 -0.24 -4.36 121.76 121.83 1fat s ALA 161 Ca 0.57 -0.77 -0.07 0.00 0.00 0.00 0.00 51.96 51.70 1fat s ALA 161 Cb -0.27 -1.66 0.08 0.00 0.00 0.00 0.00 23.12 21.27 1fat s ALA 161 CO 0.29 0.48 0.20 -1.21 0.00 0.00 0.00 175.76 175.52 1fat s GLU 162 N -0.56 2.46 0.13 0.00 2.02 -0.41 -2.00 118.70 120.34 1fat s GLU 162 Ca 0.10 -1.47 -0.10 0.00 0.02 0.00 0.00 54.97 53.52 1fat s GLU 162 Cb -0.12 -3.63 -0.06 0.00 0.10 0.00 0.00 34.13 30.42 1fat s GLU 162 CO 0.02 -0.90 0.46 0.08 0.02 0.00 0.00 175.26 174.94 1fat s VAL 163 N 1.34 5.02 -0.18 2.63 1.01 -0.28 -2.00 120.40 127.95 1fat s VAL 163 Ca 0.03 0.47 -0.04 0.00 0.00 0.00 0.00 61.98 62.43 1fat s VAL 163 Cb -0.22 -3.65 0.08 0.00 0.00 0.00 0.00 36.38 32.59 1fat s VAL 163 CO 0.01 0.16 0.21 -0.22 0.00 0.00 0.00 175.10 175.26 1fat s LEU 164 N -2.23 -0.09 -0.06 3.92 2.96 -0.81 -2.52 118.68 119.86 1fat s LEU 164 Ca 0.38 -0.13 0.04 0.00 -0.22 0.00 0.00 54.13 54.19 1fat s LEU 164 Cb -0.13 0.36 -0.02 0.00 0.50 0.00 0.00 46.19 46.89 1fat s LEU 164 CO 0.20 -0.31 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.13 1fat s ILE 165 N 2.32 2.98 -0.05 6.68 1.01 -0.79 -1.97 121.20 131.38 1fat s ILE 165 Ca 0.06 -0.75 -0.04 0.00 0.00 0.00 0.00 60.65 59.92 1fat s ILE 165 Cb -0.15 -2.16 0.02 0.00 0.01 0.00 0.00 42.46 40.17 1fat s ILE 165 CO -0.11 0.58 0.13 0.42 0.00 0.00 0.00 174.94 175.97 1fat s THR 166 N -0.60 -0.01 -0.09 2.92 -4.23 -0.83 -1.35 115.64 111.45 1fat s THR 166 Ca 0.09 0.03 0.04 0.00 -1.18 0.00 0.00 61.69 60.67 1fat s THR 166 Cb -0.11 -0.20 -0.00 0.00 1.34 0.00 0.00 72.50 73.53 1fat s THR 166 CO 0.01 0.01 -0.23 -0.47 -0.54 0.00 0.00 174.62 173.40 1fat s TYR 167 N 0.26 2.43 -0.25 3.99 5.04 -0.18 -1.10 117.35 127.54 1fat s TYR 167 Ca -0.02 -0.93 -0.01 0.00 -2.44 0.00 0.00 57.07 53.67 1fat s TYR 167 Cb -0.03 -1.62 0.03 0.00 0.35 0.00 0.00 41.96 40.69 1fat s TYR 167 CO -0.01 -0.36 -0.08 0.34 -1.34 0.00 0.00 175.55 174.10 1fat s ASP 168 N 0.26 4.24 0.21 4.32 -1.08 -1.01 -1.82 116.67 121.79 1fat s ASP 168 Ca -0.15 -0.96 -0.09 0.00 -0.52 0.00 0.00 52.55 50.82 1fat s ASP 168 Cb -0.17 -1.63 0.31 0.00 -1.46 0.00 0.00 42.92 39.98 1fat s ASP 168 CO 0.07 -0.13 1.71 0.28 0.52 0.00 0.00 175.17 177.62 1fat h SER 169 N 7.96 0.03 0.37 -0.34 0.02 -1.87 0.58 113.55 120.29 1fat h SER 169 Ca -0.31 0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.73 1fat h SER 169 Cb 1.10 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1fat h SER 169 CO 0.56 0.02 -0.18 0.77 -1.14 0.00 0.00 176.83 176.86 1fat h SER 170 N 0.28 -0.42 0.46 3.07 4.64 -1.95 -3.23 113.55 116.41 1fat h SER 170 Ca 0.33 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1fat h SER 170 Cb 0.48 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1fat h SER 170 CO -0.40 -0.26 -0.34 0.35 -0.87 0.00 0.00 176.83 175.30 1fat n THR 171 N -5.28 0.00 -1.43 2.95 -2.24 -1.13 -4.94 114.28 102.20 1fat n THR 171 Ca -0.11 -0.04 -0.15 0.00 -2.27 0.00 0.00 64.05 61.48 1fat n THR 171 Cb 0.23 0.18 -0.07 0.00 -2.10 0.00 0.00 70.33 68.56 1fat n THR 171 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1fat n ASN 172 N -1.21 -5.16 -4.65 3.42 3.02 0.20 -4.90 115.26 105.98 1fat n ASN 172 Ca 0.08 0.38 -0.43 0.00 -0.03 0.00 0.00 54.58 54.59 1fat n ASN 172 Cb 0.33 -4.27 -0.02 0.00 -0.61 0.00 0.00 39.78 35.21 1fat n ASN 172 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1fat s LEU 173 N -3.65 4.04 -0.18 3.41 0.20 -1.17 -0.57 118.68 120.76 1fat s LEU 173 Ca 0.00 1.22 -0.10 0.00 0.69 0.00 0.00 54.13 55.95 1fat s LEU 173 Cb 0.00 -3.51 -0.05 0.00 -0.43 0.00 0.00 46.19 42.20 1fat s LEU 173 CO 0.00 -0.73 0.14 -0.22 -0.29 0.00 0.00 176.35 175.25 1fat s LEU 174 N 3.33 4.25 -0.09 -0.68 2.96 0.81 -2.39 118.68 126.86 1fat s LEU 174 Ca 0.44 0.29 -0.02 0.00 -0.22 0.00 0.00 54.13 54.61 1fat s LEU 174 Cb -0.14 -2.10 0.04 0.00 0.50 0.00 0.00 46.19 44.49 1fat s LEU 174 CO 0.10 0.22 0.03 -0.69 -1.32 0.00 0.00 176.35 174.68 1fat s VAL 175 N 0.10 0.25 -0.03 1.68 1.01 -0.26 -1.61 120.40 121.54 1fat s VAL 175 Ca 0.10 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.16 1fat s VAL 175 Cb -0.11 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 1fat s VAL 175 CO -0.01 0.12 -0.11 0.00 0.00 0.00 0.00 175.10 175.10 1fat s ALA 176 N 2.01 2.81 0.04 5.51 0.00 0.47 -1.97 121.76 130.63 1fat s ALA 176 Ca 0.04 -1.00 -0.03 0.00 0.00 0.00 0.00 51.96 50.97 1fat s ALA 176 Cb -0.13 -1.03 -0.02 0.00 0.00 0.00 0.00 23.12 21.93 1fat s ALA 176 CO -0.06 0.58 0.04 -1.54 0.00 0.00 0.00 175.76 174.78 1fat s SER 177 N -1.01 0.27 -0.04 0.00 1.04 -0.83 0.09 113.70 113.22 1fat s SER 177 Ca 0.13 -0.65 -0.07 0.00 0.48 0.00 0.00 55.95 55.85 1fat s SER 177 Cb -0.11 0.20 0.01 0.00 0.10 0.00 0.00 66.02 66.22 1fat s SER 177 CO 0.03 -0.49 0.16 -0.22 0.98 0.00 0.00 173.24 173.70 1fat s LEU 178 N -2.20 1.43 -0.02 2.42 0.20 0.18 -1.92 118.68 118.76 1fat s LEU 178 Ca -0.04 0.12 -0.04 0.00 0.69 0.00 0.00 54.13 54.86 1fat s LEU 178 Cb -0.01 0.63 0.00 0.00 -0.43 0.00 0.00 46.19 46.38 1fat s LEU 178 CO -0.05 -0.18 0.10 0.68 -0.29 0.00 0.00 176.35 176.60 1fat s VAL 179 N -0.50 0.04 -0.43 1.68 -7.23 -0.84 -0.65 120.40 112.47 1fat s VAL 179 Ca -0.06 -0.37 -0.09 0.00 -1.81 0.00 0.00 61.98 59.66 1fat s VAL 179 Cb -0.04 -0.27 0.09 0.00 0.56 0.00 0.00 36.38 36.73 1fat s VAL 179 CO 0.01 -0.20 0.28 -0.31 -0.31 0.00 0.00 175.10 174.57 1fat s TYR 180 N -0.65 3.37 0.44 2.82 2.02 -0.41 -1.29 117.35 123.66 1fat s TYR 180 Ca -0.07 -1.67 0.15 0.00 -0.37 0.00 0.00 57.07 55.11 1fat s TYR 180 Cb -0.04 -3.13 1.07 0.00 -0.40 0.00 0.00 41.96 39.46 1fat s TYR 180 CO 0.00 -0.90 1.98 -1.35 -1.57 0.00 0.00 175.55 173.72 1fat h PRO 181 N 8.41 0.35 -0.45 -1.71 0.11 -1.85 0.66 132.00 137.52 1fat h PRO 181 Ca -0.22 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.74 1fat h PRO 181 Cb 1.08 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1fat h PRO 181 CO 0.79 0.23 -0.24 0.66 -0.21 0.00 0.00 178.00 179.23 1fat h SER 182 N 0.36 0.98 0.66 -2.05 4.64 -1.92 -3.27 113.55 112.95 1fat h SER 182 Ca 0.28 -0.41 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1fat h SER 182 Cb 0.61 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1fat h SER 182 CO -0.07 1.18 -1.24 0.00 -0.87 0.00 0.00 176.83 175.82 1fat n GLN 183 N -4.14 0.56 -1.90 4.77 1.13 -0.84 -4.97 117.38 111.99 1fat n GLN 183 Ca -0.01 0.02 -0.12 0.00 -1.94 0.00 0.00 57.00 54.96 1fat n GLN 183 Cb 0.47 -1.71 -0.02 0.00 0.11 0.00 0.00 30.24 29.08 1fat n GLN 183 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1fat n LYS 184 N -2.45 -0.92 -3.45 -1.09 5.02 0.23 -5.01 118.16 110.50 1fat n LYS 184 Ca -0.01 0.71 -0.21 0.00 -2.02 0.00 0.00 58.31 56.79 1fat n LYS 184 Cb 0.53 -4.82 -0.00 0.00 -0.02 0.00 0.00 35.03 30.72 1fat n LYS 184 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1fat s THR 185 N -2.54 4.41 -0.09 -0.18 -4.23 -1.18 -4.92 115.64 106.91 1fat s THR 185 Ca 0.00 -0.82 -0.25 0.00 -1.18 0.00 0.00 61.69 59.45 1fat s THR 185 Cb 0.00 -3.57 0.06 0.00 1.34 0.00 0.00 72.50 70.33 1fat s THR 185 CO 0.00 -0.28 0.57 -0.94 -0.54 0.00 0.00 174.62 173.44 1fat s SER 186 N -4.13 -0.54 0.01 3.99 1.04 -1.26 -1.29 113.70 111.52 1fat s SER 186 Ca 0.43 0.70 -0.02 0.00 0.48 0.00 0.00 55.95 57.53 1fat s SER 186 Cb -0.10 0.66 -0.01 0.00 0.10 0.00 0.00 66.02 66.68 1fat s SER 186 CO 0.33 -0.47 0.03 -0.36 0.98 0.00 0.00 173.24 173.75 1fat s PHE 187 N -0.84 0.13 -0.00 5.02 0.40 0.18 -4.97 117.98 117.90 1fat s PHE 187 Ca -0.09 -0.27 -0.08 0.00 -0.60 0.00 0.00 56.93 55.89 1fat s PHE 187 Cb -0.02 -0.11 0.00 0.00 0.51 0.00 0.00 43.02 43.41 1fat s PHE 187 CO 0.06 -0.17 0.16 -1.50 0.70 0.00 0.00 175.22 174.46 1fat s ILE 188 N -1.08 0.08 0.02 0.64 2.07 -1.26 -0.65 121.20 121.02 1fat s ILE 188 Ca -0.12 -0.63 -0.03 0.00 -1.41 0.00 0.00 60.65 58.45 1fat s ILE 188 Cb -0.07 -0.44 -0.01 0.00 0.13 0.00 0.00 42.46 42.07 1fat s ILE 188 CO -0.00 -0.35 0.04 -0.69 -1.91 0.00 0.00 174.94 172.03 1fat s VAL 189 N -1.30 0.11 -0.27 4.00 1.01 0.11 -4.88 120.40 119.18 1fat s VAL 189 Ca -0.14 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 60.74 1fat s VAL 189 Cb -0.07 -0.48 0.08 0.00 0.00 0.00 0.00 36.38 35.91 1fat s VAL 189 CO 0.02 -0.50 0.68 -0.94 0.00 0.00 0.00 175.10 174.36 1fat s SER 190 N -1.62 -0.86 0.18 3.32 1.04 -1.26 -0.40 113.70 114.10 1fat s SER 190 Ca -0.13 1.46 -0.14 0.00 0.48 0.00 0.00 55.95 57.62 1fat s SER 190 Cb -0.07 1.38 0.01 0.00 0.10 0.00 0.00 66.02 67.44 1fat s SER 190 CO -0.01 -0.24 0.42 -0.62 0.98 0.00 0.00 173.24 173.77 1fat s ASP 191 N 1.22 -0.14 -0.12 7.02 2.15 -0.63 -4.99 116.67 121.17 1fat s ASP 191 Ca -0.07 -0.61 -0.17 0.00 0.43 0.00 0.00 52.55 52.13 1fat s ASP 191 Cb -0.05 0.52 -0.04 0.00 -0.30 0.00 0.00 42.92 43.04 1fat s ASP 191 CO -0.13 -0.98 0.44 0.42 -0.17 0.00 0.00 175.17 174.76 1fat s THR 192 N -3.90 5.19 -0.01 1.71 -4.23 -1.26 -0.13 115.64 113.01 1fat s THR 192 Ca 0.11 0.88 0.05 0.00 -1.18 0.00 0.00 61.69 61.55 1fat s THR 192 Cb 0.01 -3.78 -0.01 0.00 1.34 0.00 0.00 72.50 70.06 1fat s THR 192 CO -0.03 0.35 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.57 1fat s VAL 193 N 0.47 1.14 -0.53 2.29 1.01 0.26 -4.92 120.40 120.13 1fat s VAL 193 Ca 0.24 -0.65 -0.11 0.00 0.00 0.00 0.00 61.98 61.46 1fat s VAL 193 Cb -0.15 -0.96 0.13 0.00 0.00 0.00 0.00 36.38 35.40 1fat s VAL 193 CO 0.09 0.30 0.43 -0.62 0.00 0.00 0.00 175.10 175.30 1fat s ASP 194 N -0.41 5.92 0.30 3.32 2.15 -1.26 -4.67 116.67 122.02 1fat s ASP 194 Ca 0.05 -1.99 0.01 0.00 0.43 0.00 0.00 52.55 51.06 1fat s ASP 194 Cb -0.06 -2.08 0.55 0.00 -0.30 0.00 0.00 42.92 41.03 1fat s ASP 194 CO -0.00 -0.72 1.90 -0.07 -0.17 0.00 0.00 175.17 176.10 1fat h LEU 195 N 8.46 0.89 -1.10 -1.34 4.07 -1.97 -1.94 115.31 122.38 1fat h LEU 195 Ca -0.20 0.01 0.10 0.00 0.08 0.00 0.00 57.88 57.87 1fat h LEU 195 Cb 1.07 -0.17 -0.07 0.00 1.08 0.00 0.00 40.66 42.57 1fat h LEU 195 CO 0.90 0.55 0.61 0.11 -1.08 0.00 0.00 178.44 179.53 1fat h LYS 196 N 1.00 0.95 -0.39 1.13 1.57 -1.93 0.10 116.57 119.00 1fat h LYS 196 Ca 0.41 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 59.04 1fat h LYS 196 Cb 0.28 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1fat h LYS 196 CO -0.17 0.63 -0.15 0.77 -0.57 0.00 0.00 179.45 179.97 1fat h SER 197 N 0.98 0.71 0.00 0.86 0.02 -1.78 -3.38 113.55 110.97 1fat h SER 197 Ca 0.44 -0.22 -0.26 0.00 -0.84 0.00 0.00 61.79 60.91 1fat h SER 197 Cb 0.39 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.68 1fat h SER 197 CO -0.20 0.88 -1.99 0.55 -1.14 0.00 0.00 176.83 174.93 1fat n VAL 198 N -4.15 0.99 -3.64 2.27 3.14 -0.87 -5.04 118.33 111.03 1fat n VAL 198 Ca 0.01 -0.53 -0.28 0.00 -2.96 0.00 0.00 64.34 60.58 1fat n VAL 198 Cb 0.38 -0.80 -0.03 0.00 -1.06 0.00 0.00 33.84 32.32 1fat n VAL 198 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1fat s LEU 199 N -5.39 4.20 0.64 6.55 1.43 0.29 -4.33 118.68 122.08 1fat s LEU 199 Ca -0.13 0.46 -0.10 0.00 -1.03 0.00 0.00 54.13 53.33 1fat s LEU 199 Cb 0.05 -3.23 -0.01 0.00 0.03 0.00 0.00 46.19 43.03 1fat s LEU 199 CO 0.52 -0.06 1.02 -2.16 0.23 0.00 0.00 176.35 175.90 1fat s PRO 200 N -3.32 3.14 0.40 1.29 0.04 -1.26 -4.70 135.00 130.58 1fat s PRO 200 Ca 0.39 0.44 0.10 0.00 0.04 0.00 0.00 61.00 61.97 1fat s PRO 200 Cb -0.11 -2.11 0.89 0.00 0.04 0.00 0.00 34.50 33.21 1fat s PRO 200 CO 0.29 -0.77 1.96 0.93 0.04 0.00 0.00 177.00 179.45 1fat h GLU 201 N -0.40 0.56 -6.29 4.56 5.08 -1.96 -3.42 114.58 112.72 1fat h GLU 201 Ca -0.45 -0.03 -0.69 0.00 -1.00 0.00 0.00 59.36 57.18 1fat h GLU 201 Cb 1.23 -0.13 -0.30 0.00 0.50 0.00 0.00 28.75 30.05 1fat h GLU 201 CO 0.63 0.37 -0.88 -1.58 -1.00 0.00 0.00 179.01 176.54 1fat s TRP 202 N -5.53 2.41 0.05 4.33 0.52 -1.26 0.13 118.94 119.59 1fat s TRP 202 Ca -0.09 -0.56 -0.05 0.00 0.02 0.00 0.00 56.10 55.42 1fat s TRP 202 Cb 0.20 -1.56 -0.01 0.00 -1.15 0.00 0.00 33.47 30.94 1fat s TRP 202 CO 0.76 -0.12 0.09 0.14 0.02 0.00 0.00 176.95 177.84 1fat s VAL 203 N -0.39 0.15 0.30 4.03 -7.23 -0.13 -4.09 120.40 113.04 1fat s VAL 203 Ca 0.03 -1.24 -0.05 0.00 -1.81 0.00 0.00 61.98 58.91 1fat s VAL 203 Cb -0.12 -1.10 -0.05 0.00 0.56 0.00 0.00 36.38 35.67 1fat s VAL 203 CO 0.01 -0.69 0.56 -0.44 -0.31 0.00 0.00 175.10 174.24 1fat s SER 204 N -2.42 6.44 -0.01 4.85 0.01 0.35 -0.74 113.70 122.19 1fat s SER 204 Ca -0.01 0.73 0.04 0.00 1.31 0.00 0.00 55.95 58.02 1fat s SER 204 Cb 0.02 -2.15 -0.01 0.00 0.21 0.00 0.00 66.02 64.09 1fat s SER 204 CO -0.07 -0.21 -0.12 -0.69 0.41 0.00 0.00 173.24 172.56 1fat s VAL 205 N -2.10 0.96 -0.66 3.43 1.01 -1.26 -1.93 120.40 119.85 1fat s VAL 205 Ca 0.44 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1fat s VAL 205 Cb -0.11 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.47 1fat s VAL 205 CO 0.30 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.29 1fat n GLY 206 N 2.81 -0.72 3.25 4.51 0.00 -0.71 -0.84 105.19 113.48 1fat n GLY 206 Ca -0.14 -0.29 -0.17 0.00 0.00 0.00 0.00 46.02 45.42 1fat n GLY 206 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fat s PHE 207 N -4.00 1.38 -0.03 1.61 0.08 -0.32 0.09 117.98 116.79 1fat s PHE 207 Ca 0.00 -0.60 -0.09 0.00 0.12 0.00 0.00 56.93 56.36 1fat s PHE 207 Cb 0.00 -0.71 0.01 0.00 -0.57 0.00 0.00 43.02 41.75 1fat s PHE 207 CO 0.00 0.14 0.20 0.45 -0.10 0.00 0.00 175.22 175.91 1fat s SER 208 N -2.66 -0.11 -0.05 1.36 0.15 -0.31 -1.39 113.70 110.69 1fat s SER 208 Ca 0.11 0.09 -0.30 0.00 0.70 0.00 0.00 55.95 56.55 1fat s SER 208 Cb -0.03 0.32 0.08 0.00 -1.71 0.00 0.00 66.02 64.67 1fat s SER 208 CO 0.03 -0.28 0.72 0.00 1.20 0.00 0.00 173.24 174.91 1fat s ALA 209 N -0.82 -1.78 0.06 5.45 0.00 -0.63 -0.92 121.76 123.11 1fat s ALA 209 Ca -0.09 1.31 -0.03 0.00 0.00 0.00 0.00 51.96 53.15 1fat s ALA 209 Cb -0.05 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 1fat s ALA 209 CO 0.02 -0.39 0.02 0.95 0.00 0.00 0.00 175.76 176.36 1fat s THR 210 N -1.33 0.20 0.26 0.00 -4.23 -1.13 -1.37 115.64 108.03 1fat s THR 210 Ca -0.09 -1.61 0.09 0.00 -1.18 0.00 0.00 61.69 58.90 1fat s THR 210 Cb -0.00 -1.41 -0.04 0.00 1.34 0.00 0.00 72.50 72.38 1fat s THR 210 CO 0.08 -0.89 -0.00 0.42 -0.54 0.00 0.00 174.62 173.68 1fat s THR 211 N -3.77 3.48 0.65 3.99 -4.23 -0.53 -1.68 115.64 113.55 1fat s THR 211 Ca 0.05 -1.86 -0.17 0.00 -1.18 0.00 0.00 61.69 58.53 1fat s THR 211 Cb 0.06 -2.85 -0.02 0.00 1.34 0.00 0.00 72.50 71.03 1fat s THR 211 CO -0.10 -0.35 1.03 0.61 -0.54 0.00 0.00 174.62 175.27 1fat n GLY 212 N -0.82 -0.19 0.40 3.99 0.00 -0.23 -3.90 105.19 104.44 1fat n GLY 212 Ca -0.07 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 45.87 1fat n GLY 212 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1fat n ILE 213 N -2.01 0.10 -4.76 -0.61 -5.35 -1.26 -1.40 119.36 104.07 1fat n ILE 213 Ca 0.14 -0.23 -0.26 0.00 -0.27 0.00 0.00 62.75 62.13 1fat n ILE 213 Cb 0.48 0.22 -0.16 0.00 -1.74 0.00 0.00 39.64 38.44 1fat n ILE 213 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 1fat s ASN 214 N -1.73 2.05 0.00 7.28 0.01 -1.26 -4.72 114.94 116.56 1fat s ASN 214 Ca 0.35 -0.34 0.00 0.00 -0.71 0.00 0.00 52.86 52.16 1fat s ASN 214 Cb 0.18 -0.70 0.00 0.00 0.41 0.00 0.00 41.25 41.14 1fat s ASN 214 CO 0.29 0.11 0.00 0.29 -1.51 0.00 0.00 177.10 176.28 1fat n LYS 215 N 3.37 0.00 -0.47 -0.60 5.02 -1.26 -0.88 118.16 123.34 1fat n LYS 215 Ca -0.20 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.16 1fat n LYS 215 Cb 0.53 0.00 0.26 0.00 -0.02 0.00 0.00 35.03 35.80 1fat n LYS 215 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fat n GLY 216 N -0.45 2.05 3.06 0.72 0.00 -1.26 -4.59 105.19 104.73 1fat n GLY 216 Ca 0.00 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 1fat n GLY 216 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1fat s ASN 217 N -0.75 5.05 0.02 1.61 0.02 -0.06 0.28 114.94 121.12 1fat s ASN 217 Ca 0.37 -2.93 -0.12 0.00 -1.02 0.00 0.00 52.86 49.16 1fat s ASN 217 Cb 0.24 -1.81 0.01 0.00 0.02 0.00 0.00 41.25 39.72 1fat s ASN 217 CO 0.17 -0.33 0.25 0.68 0.02 0.00 0.00 177.10 177.89 1fat s VAL 218 N -0.17 0.08 0.17 1.60 -7.23 -0.44 -1.06 120.40 113.35 1fat s VAL 218 Ca 0.17 -0.70 -0.14 0.00 -1.81 0.00 0.00 61.98 59.51 1fat s VAL 218 Cb -0.21 -0.79 0.02 0.00 0.56 0.00 0.00 36.38 35.95 1fat s VAL 218 CO -0.03 -0.38 0.41 -1.83 -0.31 0.00 0.00 175.10 172.96 1fat s GLU 219 N -2.12 1.23 0.16 4.82 -1.05 -1.10 -4.32 118.70 116.32 1fat s GLU 219 Ca -0.08 -0.93 -0.06 0.00 -0.15 0.00 0.00 54.97 53.74 1fat s GLU 219 Cb -0.03 0.46 -0.06 0.00 -0.44 0.00 0.00 34.13 34.06 1fat s GLU 219 CO -0.01 -0.49 0.41 0.95 0.95 0.00 0.00 175.26 177.07 1fat s THR 220 N -3.89 5.12 -0.45 1.83 -4.23 -0.61 -4.80 115.64 108.60 1fat s THR 220 Ca 0.10 0.14 0.03 0.00 -1.18 0.00 0.00 61.69 60.78 1fat s THR 220 Cb 0.01 -3.62 0.13 0.00 1.34 0.00 0.00 72.50 70.36 1fat s THR 220 CO -0.04 0.03 0.23 0.20 -0.54 0.00 0.00 174.62 174.50 1fat s ASN 221 N -2.38 3.88 -0.07 3.99 0.01 -1.26 -3.26 114.94 115.85 1fat s ASN 221 Ca 0.42 -2.68 0.03 0.00 -0.71 0.00 0.00 52.86 49.91 1fat s ASN 221 Cb -0.12 -1.21 -0.02 0.00 0.41 0.00 0.00 41.25 40.31 1fat s ASN 221 CO 0.24 -0.27 -0.15 -1.81 -1.51 0.00 0.00 177.10 173.60 1fat s ASP 222 N 0.24 3.91 -0.14 -1.22 1.01 -1.04 -1.29 116.67 118.13 1fat s ASP 222 Ca 0.17 -0.27 -0.04 0.00 0.71 0.00 0.00 52.55 53.11 1fat s ASP 222 Cb -0.25 -1.07 -0.03 0.00 1.01 0.00 0.00 42.92 42.58 1fat s ASP 222 CO -0.01 0.28 0.00 -0.69 0.21 0.00 0.00 175.17 174.97 1fat s VAL 223 N -0.34 4.29 -0.05 -1.27 1.01 0.49 -0.63 120.40 123.90 1fat s VAL 223 Ca 0.03 -0.23 0.18 0.00 0.00 0.00 0.00 61.98 61.97 1fat s VAL 223 Cb -0.13 -2.88 -0.28 0.00 0.00 0.00 0.00 36.38 33.10 1fat s VAL 223 CO 0.02 0.52 0.35 0.18 0.00 0.00 0.00 175.10 176.17 1fat n LEU 224 N 3.13 0.00 -3.56 3.92 4.77 0.19 -0.82 117.00 124.62 1fat n LEU 224 Ca -0.17 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.69 1fat n LEU 224 Cb 0.53 0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.65 1fat n LEU 224 CO 0.32 0.08 0.72 -0.94 -1.33 0.00 0.00 177.39 176.25 1fat s SER 225 N -4.38 -0.41 -0.03 -1.43 1.04 -1.24 -4.44 113.70 102.81 1fat s SER 225 Ca -0.07 0.41 -0.15 0.00 0.48 0.00 0.00 55.95 56.62 1fat s SER 225 Cb 0.11 0.34 0.03 0.00 0.10 0.00 0.00 66.02 66.60 1fat s SER 225 CO 0.78 -0.40 0.33 0.86 0.98 0.00 0.00 173.24 175.78 1fat s TRP 226 N -1.29 -0.22 -0.17 5.02 -0.00 -0.62 -2.08 118.94 119.59 1fat s TRP 226 Ca -0.02 0.36 -0.09 0.00 -0.00 0.00 0.00 56.10 56.35 1fat s TRP 226 Cb -0.00 0.11 0.06 0.00 -0.00 0.00 0.00 33.47 33.64 1fat s TRP 226 CO 0.02 -0.38 0.39 -1.54 -0.00 0.00 0.00 176.95 175.45 1fat s SER 227 N -1.18 -0.46 0.17 5.86 1.04 -0.00 -0.26 113.70 118.86 1fat s SER 227 Ca -0.12 0.86 0.09 0.00 0.48 0.00 0.00 55.95 57.26 1fat s SER 227 Cb -0.05 0.78 -0.04 0.00 0.10 0.00 0.00 66.02 66.82 1fat s SER 227 CO 0.04 -0.20 -0.19 0.12 0.98 0.00 0.00 173.24 174.00 1fat s PHE 228 N 1.50 1.86 -0.26 5.02 5.36 -0.84 -0.60 117.98 130.02 1fat s PHE 228 Ca -0.09 -0.46 -0.14 0.00 -0.96 0.00 0.00 56.93 55.28 1fat s PHE 228 Cb -0.09 -0.93 0.08 0.00 -0.34 0.00 0.00 43.02 41.74 1fat s PHE 228 CO -0.12 0.34 0.63 0.00 -1.46 0.00 0.00 175.22 174.61 1fat s ALA 229 N -2.00 -1.72 -0.01 11.12 0.00 -0.45 -1.47 121.76 127.23 1fat s ALA 229 Ca 0.16 2.25 0.00 0.00 0.00 0.00 0.00 51.96 54.37 1fat s ALA 229 Cb -0.06 -1.35 0.01 0.00 0.00 0.00 0.00 23.12 21.72 1fat s ALA 229 CO 0.07 -0.38 0.00 0.45 0.00 0.00 0.00 175.76 175.90 1fat s SER 230 N 1.65 0.12 -0.19 0.00 0.15 -0.73 -1.31 113.70 113.39 1fat s SER 230 Ca -0.10 -0.00 -0.00 0.00 0.70 0.00 0.00 55.95 56.55 1fat s SER 230 Cb -0.06 -0.04 0.05 0.00 -1.71 0.00 0.00 66.02 64.25 1fat s SER 230 CO -0.19 -0.03 -0.06 -0.75 1.20 0.00 0.00 173.24 173.41 1fat s LYS 231 N 0.32 1.56 -0.26 5.44 2.20 -0.57 -1.75 119.74 126.68 1fat s LYS 231 Ca -0.03 -0.66 -0.09 0.00 -0.36 0.00 0.00 55.97 54.84 1fat s LYS 231 Cb -0.04 -2.20 -0.04 0.00 -1.51 0.00 0.00 37.83 34.04 1fat s LYS 231 CO -0.01 -0.47 0.12 -1.17 -0.36 0.00 0.00 175.35 173.46 1fat s LEU 232 N 1.56 3.68 0.00 5.43 2.96 -1.21 -2.01 118.68 129.09 1fat s LEU 232 Ca -0.01 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.78 1fat s LEU 232 Cb -0.16 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.53 1fat s LEU 232 CO -0.08 -0.03 0.00 -0.24 -1.32 0.00 0.00 176.35 174.68