#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r3i n GLU 2 N 0.00 0.01 0.00 2.12 0.00 -1.26 -1.60 120.64 119.92 2r3i n GLU 2 Ca 0.00 0.36 0.14 0.00 0.00 0.00 0.00 57.16 57.66 2r3i n GLU 2 Cb 0.00 -1.53 0.60 0.00 0.00 0.00 0.00 31.44 30.51 2r3i n GLU 2 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2r3i n ASN 3 N -1.55 0.80 -4.11 -1.84 3.02 -1.26 -4.87 115.26 105.45 2r3i n ASN 3 Ca 0.02 -0.97 -0.22 0.00 -0.03 0.00 0.00 54.58 53.38 2r3i n ASN 3 Cb 0.11 -0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.12 2r3i n ASN 3 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2r3i s PHE 4 N -2.27 1.28 -0.25 3.10 0.08 -0.62 -0.20 117.98 119.10 2r3i s PHE 4 Ca 0.34 -0.25 -0.06 0.00 0.12 0.00 0.00 56.93 57.08 2r3i s PHE 4 Cb 0.20 -0.83 -0.01 0.00 -0.57 0.00 0.00 43.02 41.81 2r3i s PHE 4 CO 0.43 -0.03 0.03 -1.14 -0.10 0.00 0.00 175.22 174.41 2r3i s GLN 5 N -0.31 3.45 0.17 0.44 0.74 0.43 -4.90 119.66 119.67 2r3i s GLN 5 Ca 0.05 -0.60 -0.30 0.00 0.05 0.00 0.00 55.36 54.56 2r3i s GLN 5 Cb -0.06 -3.22 -0.08 0.00 1.10 0.00 0.00 33.01 30.76 2r3i s GLN 5 CO -0.00 -0.24 1.27 0.15 -0.55 0.00 0.00 175.29 175.91 2r3i s LYS 6 N 1.54 4.42 -0.24 1.67 1.02 -1.26 -0.42 119.74 126.47 2r3i s LYS 6 Ca 0.05 1.96 -0.16 0.00 0.02 0.00 0.00 55.97 57.84 2r3i s LYS 6 Cb -0.15 -3.23 -0.13 0.00 -0.52 0.00 0.00 37.83 33.80 2r3i s LYS 6 CO 0.01 -0.22 -0.19 0.28 -0.92 0.00 0.00 175.35 174.32 2r3i n VAL 7 N 2.88 1.52 -3.53 3.17 0.31 0.11 -4.91 118.33 117.88 2r3i n VAL 7 Ca 0.06 -0.20 -0.09 0.00 -0.01 0.00 0.00 64.34 64.10 2r3i n VAL 7 Cb 0.44 -2.00 -0.03 0.00 -0.91 0.00 0.00 33.84 31.34 2r3i n VAL 7 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2r3i s GLU 8 N -2.49 0.72 0.04 5.55 -1.05 -1.12 -5.01 118.70 115.33 2r3i s GLU 8 Ca -0.34 -0.12 -0.30 0.00 -0.15 0.00 0.00 54.97 54.06 2r3i s GLU 8 Cb 0.11 0.33 -0.04 0.00 -0.44 0.00 0.00 34.13 34.09 2r3i s GLU 8 CO 0.50 -0.28 1.06 0.21 0.95 0.00 0.00 175.26 177.70 2r3i s LYS 9 N -2.34 4.53 0.00 -4.83 2.20 -1.26 -0.67 119.74 117.36 2r3i s LYS 9 Ca 0.03 1.56 0.04 0.00 -0.36 0.00 0.00 55.97 57.24 2r3i s LYS 9 Cb -0.01 -3.41 0.11 0.00 -1.51 0.00 0.00 37.83 33.01 2r3i s LYS 9 CO -0.05 -0.10 1.01 0.44 -0.36 0.00 0.00 175.35 176.29 2r3i n ILE 10 N 3.77 0.80 0.00 5.43 -5.35 -0.14 -4.88 119.36 118.99 2r3i n ILE 10 Ca 0.07 -0.90 0.00 0.00 -0.27 0.00 0.00 62.75 61.65 2r3i n ILE 10 Cb 0.49 0.62 0.00 0.00 -1.74 0.00 0.00 39.64 39.01 2r3i n ILE 10 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2r3i n GLY 11 N -0.02 2.49 3.15 3.28 0.00 -1.19 -4.98 105.19 107.91 2r3i n GLY 11 Ca 0.04 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.76 2r3i n GLY 11 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2r3i s GLU 12 N -2.00 2.37 0.81 1.61 2.02 -1.26 -1.40 118.70 120.84 2r3i s GLU 12 Ca 0.00 -1.30 -0.05 0.00 0.02 0.00 0.00 54.97 53.63 2r3i s GLU 12 Cb 0.00 -3.12 0.16 0.00 0.10 0.00 0.00 34.13 31.27 2r3i s GLU 12 CO 0.00 -0.62 1.11 0.20 0.02 0.00 0.00 175.26 175.97 2r3i s GLY 13 N 1.23 1.77 0.26 -1.39 0.00 0.12 -4.96 107.32 104.34 2r3i s GLY 13 Ca -0.06 -1.64 -0.02 0.00 0.00 0.00 0.00 44.72 43.00 2r3i s GLY 13 CO -0.02 -0.98 1.79 -0.84 0.00 0.00 0.00 173.10 173.04 2r3i h THR 14 N -0.91 0.82 0.00 0.90 2.02 -1.99 -3.21 112.91 110.55 2r3i h THR 14 Ca -0.38 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.56 2r3i h THR 14 Cb 1.25 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2r3i h THR 14 CO 0.38 0.13 -1.16 -1.22 0.37 0.00 0.00 175.52 174.01 2r3i n TYR 15 N -4.80 0.00 -1.28 3.16 4.01 -1.26 -2.98 117.16 114.00 2r3i n TYR 15 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 2r3i n TYR 15 Cb 0.36 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.28 2r3i n TYR 15 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2r3i n GLY 16 N 1.44 -2.08 3.77 2.72 0.00 -1.19 0.49 105.19 110.34 2r3i n GLY 16 Ca 0.02 -1.20 -0.36 0.00 0.00 0.00 0.00 46.02 44.48 2r3i n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r3i s VAL 17 N -2.34 3.16 -0.13 1.61 0.11 -1.26 -0.70 120.40 120.84 2r3i s VAL 17 Ca 0.00 0.77 0.01 0.00 -2.93 0.00 0.00 61.98 59.84 2r3i s VAL 17 Cb 0.00 -3.34 -0.00 0.00 -1.53 0.00 0.00 36.38 31.50 2r3i s VAL 17 CO 0.00 -0.11 -0.17 -0.69 -3.33 0.00 0.00 175.10 170.80 2r3i s VAL 18 N -1.69 2.59 0.14 2.04 1.01 -0.49 -2.17 120.40 121.82 2r3i s VAL 18 Ca 0.69 -0.81 0.11 0.00 0.00 0.00 0.00 61.98 61.97 2r3i s VAL 18 Cb -0.25 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 2r3i s VAL 18 CO 0.29 0.53 -0.25 -0.31 0.00 0.00 0.00 175.10 175.36 2r3i s TYR 19 N 0.54 2.33 0.03 5.22 1.51 -0.01 -0.97 117.35 126.01 2r3i s TYR 19 Ca -0.11 -0.36 -0.23 0.00 -1.01 0.00 0.00 57.07 55.36 2r3i s TYR 19 Cb -0.16 -1.24 -0.06 0.00 -0.11 0.00 0.00 41.96 40.39 2r3i s TYR 19 CO 0.04 0.38 0.68 0.21 -1.11 0.00 0.00 175.55 175.74 2r3i s LYS 20 N -2.19 4.40 0.14 -0.62 2.20 0.15 -0.17 119.74 123.65 2r3i s LYS 20 Ca 0.16 0.90 -0.04 0.00 -0.36 0.00 0.00 55.97 56.62 2r3i s LYS 20 Cb -0.10 -3.34 -0.03 0.00 -1.51 0.00 0.00 37.83 32.85 2r3i s LYS 20 CO 0.07 0.35 0.15 0.00 -0.36 0.00 0.00 175.35 175.56 2r3i s ALA 21 N -0.20 0.46 -0.07 3.13 0.00 -0.17 0.06 121.76 124.96 2r3i s ALA 21 Ca 0.34 -1.19 0.04 0.00 0.00 0.00 0.00 51.96 51.15 2r3i s ALA 21 Cb -0.19 0.83 -0.00 0.00 0.00 0.00 0.00 23.12 23.75 2r3i s ALA 21 CO 0.20 -0.55 -0.20 0.50 0.00 0.00 0.00 175.76 175.71 2r3i s ARG 22 N -4.00 2.32 -0.44 0.00 3.52 0.44 -0.68 118.95 120.11 2r3i s ARG 22 Ca 0.20 -0.71 -0.28 0.00 -0.13 0.00 0.00 55.73 54.81 2r3i s ARG 22 Cb 0.06 -1.88 -0.01 0.00 -1.56 0.00 0.00 34.95 31.55 2r3i s ARG 22 CO 0.00 0.21 1.76 1.21 -0.81 0.00 0.00 175.30 177.67 2r3i s ASN 23 N 0.22 5.74 0.61 -2.12 3.84 0.90 -0.43 114.94 123.71 2r3i s ASN 23 Ca -0.11 0.89 0.27 0.00 0.21 0.00 0.00 52.86 54.12 2r3i s ASN 23 Cb -0.15 -2.53 1.33 0.00 -0.55 0.00 0.00 41.25 39.36 2r3i s ASN 23 CO 0.05 -1.90 1.75 0.11 -2.79 0.00 0.00 177.10 174.32 2r3i h LYS 24 N 13.26 0.00 0.00 0.43 1.57 -0.92 0.34 116.57 131.25 2r3i h LYS 24 Ca -0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 2r3i h LYS 24 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 2r3i h LYS 24 CO 1.11 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 181.27 2r3i n LEU 25 N -3.40 0.00 0.14 2.94 4.77 -1.26 -4.54 117.00 115.65 2r3i n LEU 25 Ca 0.08 0.00 0.19 0.00 -0.03 0.00 0.00 56.01 56.25 2r3i n LEU 25 Cb 0.77 0.00 0.71 0.00 -2.33 0.00 0.00 43.42 42.57 2r3i n LEU 25 CO 0.22 0.00 1.16 0.71 -1.33 0.00 0.00 177.39 178.16 2r3i h THR 26 N 0.00 0.22 0.00 -5.08 1.35 -1.95 -3.44 112.91 104.01 2r3i h THR 26 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2r3i h THR 26 Cb 0.00 0.57 0.00 0.00 -1.73 0.00 0.00 68.15 66.99 2r3i h THR 26 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2r3i n GLY 27 N -1.43 0.84 3.71 5.82 0.00 0.12 -5.02 105.19 109.23 2r3i n GLY 27 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 2r3i n GLY 27 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2r3i n GLU 28 N -2.00 2.27 -3.59 1.61 2.13 -1.25 -4.53 120.64 115.27 2r3i n GLU 28 Ca 0.00 0.80 -0.36 0.00 0.66 0.00 0.00 57.16 58.26 2r3i n GLU 28 Cb 0.00 -2.45 -0.08 0.00 0.27 0.00 0.00 31.44 29.17 2r3i n GLU 28 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2r3i s VAL 29 N -0.64 5.33 0.25 6.31 1.01 -1.26 -0.07 120.40 131.33 2r3i s VAL 29 Ca 0.60 0.37 0.01 0.00 0.00 0.00 0.00 61.98 62.96 2r3i s VAL 29 Cb -0.57 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 2r3i s VAL 29 CO 0.57 0.36 0.09 0.68 0.00 0.00 0.00 175.10 176.80 2r3i s VAL 30 N 0.83 0.50 -0.16 2.92 -7.23 0.15 -4.27 120.40 113.14 2r3i s VAL 30 Ca 0.12 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.23 2r3i s VAL 30 Cb -0.13 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 2r3i s VAL 30 CO 0.04 -0.03 0.06 0.00 -0.31 0.00 0.00 175.10 174.85 2r3i s ALA 31 N -3.80 3.45 -0.11 1.32 0.00 -0.12 -1.00 121.76 121.49 2r3i s ALA 31 Ca 0.37 -0.74 -0.01 0.00 0.00 0.00 0.00 51.96 51.58 2r3i s ALA 31 Cb 0.08 -1.85 -0.03 0.00 0.00 0.00 0.00 23.12 21.32 2r3i s ALA 31 CO 0.13 0.30 -0.07 -0.51 0.00 0.00 0.00 175.76 175.61 2r3i s LEU 32 N -0.02 3.12 -0.15 0.00 1.43 0.76 -0.72 118.68 123.10 2r3i s LEU 32 Ca 0.06 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 2r3i s LEU 32 Cb -0.12 -1.71 0.03 0.00 0.03 0.00 0.00 46.19 44.41 2r3i s LEU 32 CO 0.01 0.25 -0.13 -0.54 0.23 0.00 0.00 176.35 176.17 2r3i s LYS 33 N -0.15 2.18 0.13 1.70 1.02 0.26 -0.83 119.74 124.06 2r3i s LYS 33 Ca 0.02 -0.57 -0.28 0.00 0.02 0.00 0.00 55.97 55.16 2r3i s LYS 33 Cb -0.13 -2.11 -0.07 0.00 -0.52 0.00 0.00 37.83 35.01 2r3i s LYS 33 CO 0.03 -0.27 0.87 0.21 -0.92 0.00 0.00 175.35 175.27 2r3i s LYS 34 N 1.50 4.65 -0.30 1.68 2.20 -0.92 -0.82 119.74 127.72 2r3i s LYS 34 Ca 0.04 1.30 -0.06 0.00 -0.36 0.00 0.00 55.97 56.89 2r3i s LYS 34 Cb -0.13 -3.33 0.02 0.00 -1.51 0.00 0.00 37.83 32.88 2r3i s LYS 34 CO -0.10 0.36 0.07 0.42 -0.36 0.00 0.00 175.35 175.74 2r3i s ILE 35 N -0.48 3.77 0.00 5.43 -1.09 -0.16 -3.16 121.20 125.52 2r3i s ILE 35 Ca 0.41 -0.88 0.00 0.00 -2.23 0.00 0.00 60.65 57.95 2r3i s ILE 35 Cb -0.23 -3.01 0.00 0.00 -1.58 0.00 0.00 42.46 37.64 2r3i s ILE 35 CO 0.28 0.01 0.00 -1.14 -1.23 0.00 0.00 174.94 172.86 2r3i n ARG 36 N 4.82 0.00 -3.64 2.79 0.00 0.18 -4.41 116.66 116.41 2r3i n ARG 36 Ca -0.14 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.66 2r3i n ARG 36 Cb 0.47 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.86 2r3i n ARG 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2r3i s VAL 44 N 0.00 -0.12 0.36 5.15 1.01 -1.26 -5.54 120.40 120.00 2r3i s VAL 44 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 61.98 61.70 2r3i s VAL 44 Cb 0.00 -1.00 -0.12 0.00 0.00 0.00 0.00 36.38 35.26 2r3i s VAL 44 CO 0.00 0.00 1.35 -2.65 0.00 0.00 0.00 175.10 173.80 2r3i n PRO 45 N 4.34 2.30 -0.22 2.72 -0.02 -1.26 -4.83 135.00 138.03 2r3i n PRO 45 Ca -0.19 0.81 0.10 0.00 -2.02 0.00 0.00 63.50 62.20 2r3i n PRO 45 Cb 0.58 -2.44 0.39 0.00 -0.02 0.00 0.00 33.50 32.00 2r3i n PRO 45 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2r3i h SER 46 N 2.65 0.61 -0.68 2.55 0.02 -2.02 -1.16 113.55 115.52 2r3i h SER 46 Ca -0.48 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.47 2r3i h SER 46 Cb 1.27 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.67 2r3i h SER 46 CO 0.63 0.34 0.34 0.71 -1.14 0.00 0.00 176.83 177.71 2r3i h THR 47 N 0.66 1.23 -0.35 -2.27 1.35 -1.98 -0.62 112.91 110.93 2r3i h THR 47 Ca 0.38 -0.63 -0.13 0.00 -0.55 0.00 0.00 66.41 65.48 2r3i h THR 47 Cb 0.57 0.32 -0.01 0.00 -1.73 0.00 0.00 68.15 67.31 2r3i h THR 47 CO -0.15 0.27 -0.29 0.00 -0.25 0.00 0.00 175.52 175.10 2r3i h ALA 48 N 1.37 0.51 -0.48 6.62 0.00 -1.47 -1.97 119.26 123.84 2r3i h ALA 48 Ca 0.24 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2r3i h ALA 48 Cb 0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2r3i h ALA 48 CO -0.03 0.53 0.31 0.82 0.00 0.00 0.00 179.25 180.89 2r3i h ILE 49 N 0.60 1.11 -0.61 0.00 1.08 -1.13 -0.87 117.51 117.70 2r3i h ILE 49 Ca 0.06 -0.22 -0.03 0.00 -0.39 0.00 0.00 64.86 64.28 2r3i h ILE 49 Cb 0.86 0.42 -0.03 0.00 -3.07 0.00 0.00 36.82 35.00 2r3i h ILE 49 CO 0.07 0.12 0.26 0.03 -0.69 0.00 0.00 178.15 177.94 2r3i h ARG 50 N 0.64 0.90 -0.26 2.37 3.08 -1.00 -0.02 114.38 120.09 2r3i h ARG 50 Ca 0.18 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 2r3i h ARG 50 Cb -0.06 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 2r3i h ARG 50 CO -0.04 0.75 0.13 1.49 -1.07 0.00 0.00 179.97 181.22 2r3i h GLU 51 N 0.84 0.37 -0.71 0.04 4.57 -1.04 -2.18 114.58 116.47 2r3i h GLU 51 Ca 0.20 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.27 2r3i h GLU 51 Cb 0.17 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.66 2r3i h GLU 51 CO -0.02 0.35 0.19 0.82 -1.18 0.00 0.00 179.01 179.17 2r3i h ILE 52 N 0.29 1.26 -0.89 2.32 1.08 -1.05 -2.62 117.51 117.90 2r3i h ILE 52 Ca 0.09 -0.94 0.07 0.00 -0.39 0.00 0.00 64.86 63.68 2r3i h ILE 52 Cb 0.10 0.51 -0.06 0.00 -3.07 0.00 0.00 36.82 34.31 2r3i h ILE 52 CO -0.01 0.36 0.58 0.28 -0.69 0.00 0.00 178.15 178.67 2r3i h SER 53 N 1.06 0.88 0.50 1.72 0.02 -0.67 -0.83 113.55 116.23 2r3i h SER 53 Ca 0.22 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.14 2r3i h SER 53 Cb 0.35 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2r3i h SER 53 CO -0.00 0.57 -0.18 -0.07 -1.14 0.00 0.00 176.83 176.01 2r3i h LEU 54 N 1.00 0.00 -1.10 5.07 3.38 -1.01 -2.61 115.31 120.04 2r3i h LEU 54 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 2r3i h LEU 54 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2r3i h LEU 54 CO -0.14 0.18 0.00 -0.07 0.09 0.00 0.00 178.44 178.49 2r3i h LEU 55 N 0.00 0.00 -2.25 1.67 3.38 -1.06 -2.70 115.31 114.35 2r3i h LEU 55 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2r3i h LEU 55 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2r3i h LEU 55 CO 0.02 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.66 2r3i h LYS 56 N 0.00 0.00 -0.02 1.13 1.57 -1.52 -2.00 116.57 115.73 2r3i h LYS 56 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2r3i h LYS 56 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2r3i h LYS 56 CO 0.00 0.00 -0.12 0.39 -0.57 0.00 0.00 179.45 179.15 2r3i n GLU 57 N -3.00 1.86 -2.52 3.15 1.02 -1.02 -4.69 120.64 115.44 2r3i n GLU 57 Ca -0.01 -1.57 -0.43 0.00 -0.02 0.00 0.00 57.16 55.12 2r3i n GLU 57 Cb 0.16 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 2r3i n GLU 57 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2r3i n LEU 58 N 0.89 6.27 -4.66 -4.62 7.94 -0.75 -4.95 117.00 117.12 2r3i n LEU 58 Ca 0.12 -4.62 -0.35 0.00 -1.11 0.00 0.00 56.01 50.05 2r3i n LEU 58 Cb 0.52 -1.51 -0.09 0.00 0.53 0.00 0.00 43.42 42.87 2r3i n LEU 58 CO 0.17 1.22 -0.24 0.20 -1.11 0.00 0.00 177.39 177.63 2r3i s ASN 59 N 1.29 5.72 -0.07 1.96 0.01 -1.26 -4.93 114.94 117.66 2r3i s ASN 59 Ca 0.40 0.12 -0.30 0.00 -0.71 0.00 0.00 52.86 52.36 2r3i s ASN 59 Cb 0.06 -1.97 0.07 0.00 0.41 0.00 0.00 41.25 39.82 2r3i s ASN 59 CO 0.01 0.19 0.69 -2.28 -1.51 0.00 0.00 177.10 174.20 2r3i s HIS 60 N 0.29 -0.66 0.62 2.20 5.65 -1.26 -5.05 115.29 117.08 2r3i s HIS 60 Ca 0.04 1.18 0.42 0.00 0.25 0.00 0.00 55.06 56.95 2r3i s HIS 60 Cb -0.12 0.40 2.29 0.00 -1.18 0.00 0.00 32.58 33.97 2r3i s HIS 60 CO -0.00 -0.58 2.34 -1.35 -0.65 0.00 0.00 174.74 174.49 2r3i h PRO 61 N 3.15 0.00 -0.50 2.88 0.11 -1.98 -1.85 132.00 133.80 2r3i h PRO 61 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2r3i h PRO 61 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2r3i h PRO 61 CO 0.36 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.24 2r3i n ASN 62 N -3.20 4.49 -4.13 -2.05 4.13 -1.26 -4.86 115.26 108.37 2r3i n ASN 62 Ca -0.03 -2.63 -0.31 0.00 1.68 0.00 0.00 54.58 53.30 2r3i n ASN 62 Cb 0.09 -0.54 -0.17 0.00 -1.54 0.00 0.00 39.78 37.62 2r3i n ASN 62 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2r3i s ILE 63 N -2.16 1.86 0.16 2.41 -1.09 -0.70 -0.80 121.20 120.88 2r3i s ILE 63 Ca 0.46 -0.86 -0.32 0.00 -2.23 0.00 0.00 60.65 57.70 2r3i s ILE 63 Cb 0.32 -1.65 -0.11 0.00 -1.58 0.00 0.00 42.46 39.43 2r3i s ILE 63 CO 0.18 0.51 1.79 0.52 -1.23 0.00 0.00 174.94 176.71 2r3i n VAL 64 N 4.05 0.21 -2.27 2.92 0.31 -0.29 -4.57 118.33 118.70 2r3i n VAL 64 Ca -0.20 -0.04 -0.42 0.00 -0.01 0.00 0.00 64.34 63.68 2r3i n VAL 64 Cb 0.52 -2.06 -0.03 0.00 -0.91 0.00 0.00 33.84 31.36 2r3i n VAL 64 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2r3i s LYS 65 N 2.07 4.36 -0.49 5.55 2.20 -1.26 -4.87 119.74 127.29 2r3i s LYS 65 Ca 0.79 1.95 -0.26 0.00 -0.36 0.00 0.00 55.97 58.08 2r3i s LYS 65 Cb -0.50 -3.33 0.03 0.00 -1.51 0.00 0.00 37.83 32.53 2r3i s LYS 65 CO 0.35 -0.39 1.01 -1.17 -0.36 0.00 0.00 175.35 174.79 2r3i s LEU 66 N 1.26 3.87 -0.07 5.43 2.96 -1.26 -1.07 118.68 129.79 2r3i s LEU 66 Ca 0.62 0.16 -0.23 0.00 -0.22 0.00 0.00 54.13 54.46 2r3i s LEU 66 Cb -0.33 -3.25 -0.30 0.00 0.50 0.00 0.00 46.19 42.81 2r3i s LEU 66 CO 0.29 -1.16 0.84 -0.07 -1.32 0.00 0.00 176.35 174.93 2r3i h LEU 67 N 10.91 0.35 -7.62 -0.68 3.38 -0.65 -3.44 115.31 117.56 2r3i h LEU 67 Ca -0.24 -0.95 0.11 0.00 0.09 0.00 0.00 57.88 56.88 2r3i h LEU 67 Cb 1.07 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.62 2r3i h LEU 67 CO 1.07 1.32 0.36 -1.81 0.09 0.00 0.00 178.44 179.47 2r3i s ASP 68 N -6.81 -0.28 -0.08 -0.43 1.01 -1.07 -5.01 116.67 104.00 2r3i s ASP 68 Ca -0.15 -0.38 0.03 0.00 0.71 0.00 0.00 52.55 52.76 2r3i s ASP 68 Cb 0.00 0.58 0.01 0.00 1.01 0.00 0.00 42.92 44.52 2r3i s ASP 68 CO 0.79 -1.04 -0.17 -0.69 0.21 0.00 0.00 175.17 174.28 2r3i s VAL 69 N -3.55 1.48 -0.13 -1.27 1.01 -1.26 -1.10 120.40 115.57 2r3i s VAL 69 Ca 0.09 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.41 2r3i s VAL 69 Cb -0.03 -1.31 -0.00 0.00 0.00 0.00 0.00 36.38 35.04 2r3i s VAL 69 CO 0.01 0.43 -0.19 -0.63 0.00 0.00 0.00 175.10 174.71 2r3i s ILE 70 N 0.51 2.38 -0.25 2.22 1.01 0.05 -5.00 121.20 122.11 2r3i s ILE 70 Ca -0.15 -0.89 -0.03 0.00 0.00 0.00 0.00 60.65 59.58 2r3i s ILE 70 Cb -0.16 -1.96 0.08 0.00 0.01 0.00 0.00 42.46 40.43 2r3i s ILE 70 CO 0.05 0.54 0.09 -2.28 0.00 0.00 0.00 174.94 173.34 2r3i s HIS 71 N 0.59 0.80 -0.00 3.97 2.46 -1.26 -0.34 115.29 121.51 2r3i s HIS 71 Ca -0.11 -0.95 0.00 0.00 0.47 0.00 0.00 55.06 54.47 2r3i s HIS 71 Cb -0.16 -1.07 0.00 0.00 -0.13 0.00 0.00 32.58 31.22 2r3i s HIS 71 CO 0.03 -0.72 -0.01 0.95 -2.47 0.00 0.00 174.74 172.53 2r3i s THR 72 N 1.93 0.07 -1.40 0.89 -4.23 -0.63 -4.83 115.64 107.45 2r3i s THR 72 Ca 0.05 -0.01 -0.06 0.00 -1.18 0.00 0.00 61.69 60.49 2r3i s THR 72 Cb -0.17 -0.08 0.03 0.00 1.34 0.00 0.00 72.50 73.62 2r3i s THR 72 CO -0.21 0.03 0.47 -0.62 -0.54 0.00 0.00 174.62 173.76 2r3i n GLU 73 N 3.21 -3.89 -1.77 3.99 1.02 -1.26 -0.53 120.64 121.41 2r3i n GLU 73 Ca -0.14 0.70 -0.20 0.00 -0.02 0.00 0.00 57.16 57.50 2r3i n GLU 73 Cb 0.58 -5.47 -0.07 0.00 -0.02 0.00 0.00 31.44 26.47 2r3i n GLU 73 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2r3i n ASN 74 N -2.34 -5.44 -4.52 1.62 3.02 -1.26 -4.99 115.26 101.35 2r3i n ASN 74 Ca -0.08 0.36 -0.34 0.00 -0.03 0.00 0.00 54.58 54.49 2r3i n ASN 74 Cb 0.59 -4.63 -0.12 0.00 -0.61 0.00 0.00 39.78 35.01 2r3i n ASN 74 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2r3i s LYS 75 N -4.00 3.15 -0.12 3.52 2.36 0.32 -4.58 119.74 120.39 2r3i s LYS 75 Ca 0.00 -0.56 0.00 0.00 -2.55 0.00 0.00 55.97 52.86 2r3i s LYS 75 Cb 0.00 -2.70 -0.02 0.00 -1.05 0.00 0.00 37.83 34.06 2r3i s LYS 75 CO 0.00 0.46 -0.13 -1.17 1.55 0.00 0.00 175.35 176.06 2r3i s LEU 76 N -0.25 2.76 -0.03 5.43 2.96 -1.26 -1.60 118.68 126.70 2r3i s LEU 76 Ca 0.03 -0.29 0.04 0.00 -0.22 0.00 0.00 54.13 53.69 2r3i s LEU 76 Cb -0.13 -1.61 -0.00 0.00 0.50 0.00 0.00 46.19 44.95 2r3i s LEU 76 CO 0.03 0.20 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.81 2r3i s TYR 77 N 0.15 1.35 -0.09 5.38 1.51 0.54 -0.98 117.35 125.21 2r3i s TYR 77 Ca -0.07 -0.35 -0.02 0.00 -1.01 0.00 0.00 57.07 55.63 2r3i s TYR 77 Cb -0.15 -0.92 -0.03 0.00 -0.11 0.00 0.00 41.96 40.75 2r3i s TYR 77 CO 0.05 -0.11 -0.02 -0.51 -1.11 0.00 0.00 175.55 173.85 2r3i s LEU 78 N 0.02 3.46 -0.20 -1.29 1.43 -0.00 -0.77 118.68 121.33 2r3i s LEU 78 Ca -0.02 0.07 -0.02 0.00 -1.03 0.00 0.00 54.13 53.13 2r3i s LEU 78 Cb -0.09 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 2r3i s LEU 78 CO 0.01 0.34 -0.08 -0.69 0.23 0.00 0.00 176.35 176.16 2r3i s VAL 79 N -0.67 3.14 0.20 -1.59 1.01 -0.26 -0.57 120.40 121.66 2r3i s VAL 79 Ca 0.11 -0.58 0.10 0.00 0.00 0.00 0.00 61.98 61.60 2r3i s VAL 79 Cb -0.12 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 2r3i s VAL 79 CO 0.02 0.46 -0.20 -0.36 0.00 0.00 0.00 175.10 175.02 2r3i s PHE 80 N 1.22 2.03 0.31 5.22 0.08 0.11 0.13 117.98 127.07 2r3i s PHE 80 Ca 0.02 -0.42 -0.28 0.00 0.12 0.00 0.00 56.93 56.37 2r3i s PHE 80 Cb -0.14 -0.97 -0.13 0.00 -0.57 0.00 0.00 43.02 41.20 2r3i s PHE 80 CO -0.03 0.45 1.05 -1.91 -0.10 0.00 0.00 175.22 174.68 2r3i n GLU 81 N 0.05 1.47 -3.61 0.44 2.13 -0.24 -0.94 120.64 119.94 2r3i n GLU 81 Ca -0.11 0.52 -0.37 0.00 0.66 0.00 0.00 57.16 57.86 2r3i n GLU 81 Cb 0.58 -1.94 -0.06 0.00 0.27 0.00 0.00 31.44 30.29 2r3i n GLU 81 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2r3i s PHE 82 N -1.09 3.61 0.08 4.31 5.36 -1.26 -4.41 117.98 124.58 2r3i s PHE 82 Ca 0.58 0.75 0.08 0.00 -0.96 0.00 0.00 56.93 57.38 2r3i s PHE 82 Cb -0.66 -2.22 -0.03 0.00 -0.34 0.00 0.00 43.02 39.76 2r3i s PHE 82 CO 0.60 0.53 -0.22 -0.51 -1.46 0.00 0.00 175.22 174.17 2r3i s LEU 83 N -0.55 2.25 0.43 6.12 1.02 -1.26 -4.99 118.68 121.70 2r3i s LEU 83 Ca 0.19 -0.63 0.23 0.00 0.02 0.00 0.00 54.13 53.94 2r3i s LEU 83 Cb -0.14 -0.96 0.43 0.00 0.02 0.00 0.00 46.19 45.53 2r3i s LEU 83 CO 0.08 0.11 1.63 0.45 0.02 0.00 0.00 176.35 178.64 2r3i h HIS 84 N 4.35 0.00 -3.25 0.29 3.86 -1.98 -3.47 115.15 114.94 2r3i h HIS 84 Ca -0.45 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 58.67 2r3i h HIS 84 Cb 1.17 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 29.48 2r3i h HIS 84 CO 0.57 0.07 -0.20 -1.14 0.86 0.00 0.00 177.93 178.09 2r3i s GLN 85 N -3.24 0.86 0.41 2.45 0.74 -1.22 -5.04 119.66 114.62 2r3i s GLN 85 Ca 0.06 -0.49 0.08 0.00 0.05 0.00 0.00 55.36 55.05 2r3i s GLN 85 Cb 0.06 0.37 -0.01 0.00 1.10 0.00 0.00 33.01 34.53 2r3i s GLN 85 CO 0.67 -0.28 0.42 0.16 -0.55 0.00 0.00 175.29 175.70 2r3i s ASP 86 N -2.12 5.19 0.34 6.67 1.47 -1.26 -0.70 116.67 126.27 2r3i s ASP 86 Ca -0.04 -0.66 0.15 0.00 1.18 0.00 0.00 52.55 53.17 2r3i s ASP 86 Cb -0.00 -0.61 0.60 0.00 -0.34 0.00 0.00 42.92 42.56 2r3i s ASP 86 CO -0.04 -0.66 1.72 0.25 0.68 0.00 0.00 175.17 177.12 2r3i h LEU 87 N 0.95 0.00 -0.10 2.11 5.85 -0.44 -2.38 115.31 121.31 2r3i h LEU 87 Ca -0.41 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.30 2r3i h LEU 87 Cb 1.27 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 2r3i h LEU 87 CO 0.55 0.46 0.04 0.50 -0.34 0.00 0.00 178.44 179.65 2r3i h LYS 88 N 0.00 0.14 -0.72 1.25 3.64 -1.82 0.22 116.57 119.29 2r3i h LYS 88 Ca -0.00 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 2r3i h LYS 88 Cb 0.89 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.66 2r3i h LYS 88 CO 0.06 0.23 0.22 -0.22 -2.27 0.00 0.00 179.45 177.48 2r3i h LYS 89 N 0.02 1.11 -0.37 1.90 3.64 -1.88 -0.37 116.57 120.62 2r3i h LYS 89 Ca 0.03 -0.23 -0.12 0.00 -1.27 0.00 0.00 60.65 59.06 2r3i h LYS 89 Cb 0.14 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2r3i h LYS 89 CO -0.00 0.94 -0.24 0.35 -2.27 0.00 0.00 179.45 178.23 2r3i h PHE 90 N 1.06 0.85 -0.42 1.91 3.57 -1.14 -1.17 116.94 121.60 2r3i h PHE 90 Ca 0.23 -0.20 -0.14 0.00 3.53 0.00 0.00 57.97 61.39 2r3i h PHE 90 Cb 0.30 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 2r3i h PHE 90 CO 0.02 0.91 -0.29 0.52 -2.23 0.00 0.00 178.31 177.24 2r3i h MET 91 N 0.65 0.93 -0.82 1.11 2.86 -0.22 -0.94 114.93 118.50 2r3i h MET 91 Ca 0.09 -0.43 -0.04 0.00 -2.06 0.00 0.00 59.70 57.25 2r3i h MET 91 Cb 0.74 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.36 2r3i h MET 91 CO 0.06 1.09 0.34 -0.44 1.06 0.00 0.00 176.91 179.03 2r3i h ASP 92 N 0.78 1.11 0.72 1.22 3.32 -0.83 -2.24 116.42 120.50 2r3i h ASP 92 Ca 0.09 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 56.87 2r3i h ASP 92 Cb 0.87 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 2r3i h ASP 92 CO 0.08 0.97 -0.48 0.00 -1.72 0.00 0.00 179.24 178.09 2r3i h ALA 93 N 1.19 1.01 -0.55 3.45 0.00 -0.96 -3.09 119.26 120.30 2r3i h ALA 93 Ca 0.27 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2r3i h ALA 93 Cb 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2r3i h ALA 93 CO -0.03 0.60 0.00 0.43 0.00 0.00 0.00 179.25 180.25 2r3i n SER 94 N -3.68 3.19 0.21 0.00 7.64 -0.38 -4.58 113.62 116.03 2r3i n SER 94 Ca -0.01 -1.98 0.06 0.00 1.01 0.00 0.00 58.87 57.95 2r3i n SER 94 Cb 0.55 -0.37 0.47 0.00 -1.01 0.00 0.00 64.21 63.85 2r3i n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2r3i h ALA 95 N 4.17 1.32 -0.52 -0.43 0.00 -1.33 1.46 119.26 123.92 2r3i h ALA 95 Ca 0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 2r3i h ALA 95 Cb 0.82 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2r3i h ALA 95 CO 0.00 0.35 -0.01 -0.07 0.00 0.00 0.00 179.25 179.52 2r3i h LEU 96 N 0.00 0.91 0.00 0.00 -0.00 -1.85 -3.33 115.31 111.05 2r3i h LEU 96 Ca -0.00 -0.31 0.00 0.00 -0.00 0.00 0.00 57.88 57.56 2r3i h LEU 96 Cb 0.58 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 40.99 2r3i h LEU 96 CO 0.04 1.00 -0.81 1.07 -0.00 0.00 0.00 178.44 179.74 2r3i n THR 97 N -4.28 0.00 0.00 0.22 5.66 -1.20 -5.13 114.28 109.55 2r3i n THR 97 Ca 0.01 -0.24 0.00 0.00 -3.05 0.00 0.00 64.05 60.77 2r3i n THR 97 Cb 0.33 0.66 0.00 0.00 -1.55 0.00 0.00 70.33 69.77 2r3i n THR 97 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2r3i n GLY 98 N 1.68 -2.29 3.70 1.09 0.00 0.50 -4.86 105.19 105.02 2r3i n GLY 98 Ca -0.00 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 2r3i n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r3i s ILE 99 N -3.37 3.57 0.43 -0.61 1.01 -1.25 -4.90 121.20 116.07 2r3i s ILE 99 Ca 0.00 1.07 -0.26 0.00 0.00 0.00 0.00 60.65 61.46 2r3i s ILE 99 Cb 0.00 -3.69 -0.09 0.00 0.01 0.00 0.00 42.46 38.69 2r3i s ILE 99 CO 0.00 0.05 1.36 -2.65 0.00 0.00 0.00 174.94 173.70 2r3i n PRO 100 N 4.57 2.16 -0.32 2.79 -0.02 -1.26 -4.71 135.00 138.20 2r3i n PRO 100 Ca 0.12 0.77 0.11 0.00 -2.02 0.00 0.00 63.50 62.47 2r3i n PRO 100 Cb 0.43 -2.52 0.28 0.00 -0.02 0.00 0.00 33.50 31.68 2r3i n PRO 100 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2r3i h LEU 101 N 2.29 0.61 -1.56 2.45 5.85 -1.99 -0.02 115.31 122.94 2r3i h LEU 101 Ca -0.49 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.34 2r3i h LEU 101 Cb 1.28 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 2r3i h LEU 101 CO 0.61 0.20 0.31 -0.65 -0.34 0.00 0.00 178.44 178.57 2r3i h PRO 102 N 0.65 0.58 0.03 5.25 0.11 -1.99 0.14 132.00 136.77 2r3i h PRO 102 Ca 0.53 -0.03 -0.23 0.00 0.11 0.00 0.00 66.00 66.38 2r3i h PRO 102 Cb 0.84 -0.13 0.02 0.00 0.11 0.00 0.00 31.00 31.84 2r3i h PRO 102 CO -0.40 0.38 -0.93 1.25 -0.21 0.00 0.00 178.00 178.10 2r3i h LEU 103 N 0.60 0.77 -0.47 2.35 5.85 -1.40 -1.05 115.31 121.95 2r3i h LEU 103 Ca 0.17 -0.77 0.06 0.00 0.84 0.00 0.00 57.88 58.18 2r3i h LEU 103 Cb -0.03 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.72 2r3i h LEU 103 CO -0.04 1.44 0.17 0.40 -0.34 0.00 0.00 178.44 180.07 2r3i h ILE 104 N 0.17 0.85 -0.30 4.05 2.04 -0.74 0.30 117.51 123.88 2r3i h ILE 104 Ca -0.12 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 2r3i h ILE 104 Cb 1.61 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 2r3i h ILE 104 CO 0.18 0.06 0.17 0.50 0.00 0.00 0.00 178.15 179.07 2r3i h LYS 105 N 0.35 0.42 -0.36 2.37 3.64 -0.69 0.17 116.57 122.46 2r3i h LYS 105 Ca 0.22 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.58 2r3i h LYS 105 Cb 0.22 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 2r3i h LYS 105 CO -0.22 0.34 0.18 1.03 -2.27 0.00 0.00 179.45 178.52 2r3i h SER 106 N 0.38 0.27 -0.43 4.20 0.87 -0.84 -0.54 113.55 117.46 2r3i h SER 106 Ca 0.11 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 2r3i h SER 106 Cb 0.04 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 2r3i h SER 106 CO -0.02 0.20 0.22 1.88 -0.53 0.00 0.00 176.83 178.58 2r3i h TYR 107 N 0.37 0.61 -0.57 2.24 0.05 -0.70 -1.17 116.97 117.81 2r3i h TYR 107 Ca 0.15 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.89 2r3i h TYR 107 Cb 0.05 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.57 2r3i h TYR 107 CO -0.10 0.49 0.30 1.25 -1.05 0.00 0.00 178.16 179.05 2r3i h LEU 108 N 0.56 0.72 -0.39 3.88 5.85 -0.75 0.19 115.31 125.36 2r3i h LEU 108 Ca 0.15 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.80 2r3i h LEU 108 Cb 0.10 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 2r3i h LEU 108 CO -0.02 0.62 0.18 0.15 -0.34 0.00 0.00 178.44 179.02 2r3i h PHE 109 N 0.76 0.32 -0.38 1.25 3.57 -0.89 0.02 116.94 121.59 2r3i h PHE 109 Ca 0.20 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 2r3i h PHE 109 Cb 0.07 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 2r3i h PHE 109 CO -0.01 0.15 0.03 1.96 -2.23 0.00 0.00 178.31 178.22 2r3i h GLN 110 N 0.36 0.65 -0.87 1.11 4.20 -0.95 -1.74 115.11 117.87 2r3i h GLN 110 Ca 0.17 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 2r3i h GLN 110 Cb 0.11 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 2r3i h GLN 110 CO -0.14 0.73 0.45 -0.07 -0.67 0.00 0.00 178.83 179.13 2r3i h LEU 111 N 0.49 1.10 -1.15 1.46 3.38 -0.70 -1.67 115.31 118.22 2r3i h LEU 111 Ca 0.11 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2r3i h LEU 111 Cb 0.42 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2r3i h LEU 111 CO 0.01 0.90 0.32 -0.07 0.09 0.00 0.00 178.44 179.70 2r3i h LEU 112 N 1.22 0.83 -0.64 1.67 3.38 -0.79 -0.57 115.31 120.40 2r3i h LEU 112 Ca 0.30 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 2r3i h LEU 112 Cb 0.06 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2r3i h LEU 112 CO -0.04 0.69 0.18 1.56 0.09 0.00 0.00 178.44 180.92 2r3i h GLN 113 N 0.92 1.00 -0.55 1.13 4.20 -0.69 0.15 115.11 121.27 2r3i h GLN 113 Ca 0.23 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 2r3i h GLN 113 Cb 0.08 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 2r3i h GLN 113 CO -0.03 0.89 0.24 0.78 -0.67 0.00 0.00 178.83 180.04 2r3i h GLY 114 N 0.93 0.87 0.91 3.46 0.00 -0.74 -1.57 103.07 106.94 2r3i h GLY 114 Ca 0.20 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 2r3i h GLY 114 CO -0.00 0.43 0.11 1.41 0.00 0.00 0.00 176.54 178.49 2r3i h LEU 115 N 0.75 0.42 -0.75 3.11 3.38 -0.91 -1.73 115.31 119.59 2r3i h LEU 115 Ca 0.19 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2r3i h LEU 115 Cb 0.17 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 2r3i h LEU 115 CO -0.02 0.49 0.45 0.00 0.09 0.00 0.00 178.44 179.45 2r3i h ALA 116 N 0.95 1.00 0.24 1.53 0.00 -0.49 0.28 119.26 122.77 2r3i h ALA 116 Ca 0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2r3i h ALA 116 Cb 0.21 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2r3i h ALA 116 CO -0.01 0.19 -0.11 0.35 0.00 0.00 0.00 179.25 179.67 2r3i h PHE 117 N 0.85 -0.30 -0.37 0.00 3.57 -1.10 -1.23 116.94 118.36 2r3i h PHE 117 Ca 0.32 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.80 2r3i h PHE 117 Cb 0.12 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 2r3i h PHE 117 CO -0.05 -0.07 0.20 0.00 -2.23 0.00 0.00 178.31 176.16 2r3i h HIS 119 N 0.46 0.00 0.00 0.00 3.86 -0.43 -0.09 115.15 118.96 2r3i h HIS 119 Ca 0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 2r3i h HIS 119 Cb 0.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.54 2r3i h HIS 119 CO -0.02 0.03 0.00 0.66 0.86 0.00 0.00 177.93 179.46 2r3i h SER 120 N 0.00 0.00 -0.57 2.45 4.64 -0.78 -0.29 113.55 119.01 2r3i h SER 120 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2r3i h SER 120 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2r3i h SER 120 CO 0.00 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.37 2r3i n HIS 121 N -3.08 0.91 -2.66 4.77 8.25 -0.11 -4.95 115.22 118.35 2r3i n HIS 121 Ca -0.01 -0.54 -0.20 0.00 -0.26 0.00 0.00 57.72 56.70 2r3i n HIS 121 Cb 0.20 -0.07 0.01 0.00 1.12 0.00 0.00 29.99 31.24 2r3i n HIS 121 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2r3i n ARG 122 N 1.05 -2.88 -4.08 -0.41 5.12 -0.12 -5.00 116.66 110.35 2r3i n ARG 122 Ca 0.20 0.90 -0.35 0.00 -1.93 0.00 0.00 57.85 56.68 2r3i n ARG 122 Cb 0.63 -5.63 -0.09 0.00 -1.16 0.00 0.00 32.46 26.20 2r3i n ARG 122 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2r3i s VAL 123 N -3.03 4.76 0.24 1.55 1.01 -0.82 -5.00 120.40 119.11 2r3i s VAL 123 Ca 0.12 -0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.12 2r3i s VAL 123 Cb -0.05 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 2r3i s VAL 123 CO 0.15 0.51 0.13 -0.76 0.00 0.00 0.00 175.10 175.14 2r3i s LEU 124 N -0.09 3.66 -0.13 3.92 1.02 -1.26 -3.64 118.68 122.16 2r3i s LEU 124 Ca 0.06 -0.32 -0.09 0.00 0.02 0.00 0.00 54.13 53.81 2r3i s LEU 124 Cb -0.12 -2.21 -0.03 0.00 0.02 0.00 0.00 46.19 43.85 2r3i s LEU 124 CO 0.01 -0.00 -0.18 1.57 0.02 0.00 0.00 176.35 177.77 2r3i n HIS 125 N -0.92 0.78 0.00 0.29 -0.00 -1.26 -1.66 115.22 112.45 2r3i n HIS 125 Ca -0.08 0.34 0.00 0.00 -0.00 0.00 0.00 57.72 57.98 2r3i n HIS 125 Cb 0.57 -0.71 0.00 0.00 -0.00 0.00 0.00 29.99 29.86 2r3i n HIS 125 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 2r3i n ARG 126 N -4.40 0.00 -2.63 1.57 0.63 -1.26 -4.24 116.66 106.33 2r3i n ARG 126 Ca -0.07 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.74 2r3i n ARG 126 Cb 0.26 -1.02 0.03 0.00 0.45 0.00 0.00 32.46 32.18 2r3i n ARG 126 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2r3i n ASP 127 N 0.00 2.20 -4.77 6.15 2.03 -1.26 -4.99 116.55 115.91 2r3i n ASP 127 Ca 0.00 -2.83 -0.41 0.00 0.52 0.00 0.00 54.79 52.08 2r3i n ASP 127 Cb 0.00 -0.50 -0.01 0.00 -0.72 0.00 0.00 41.12 39.89 2r3i n ASP 127 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2r3i s LEU 128 N -3.33 4.35 0.12 -2.67 1.43 -1.26 -4.95 118.68 112.38 2r3i s LEU 128 Ca 0.32 2.80 -0.25 0.00 -1.03 0.00 0.00 54.13 55.96 2r3i s LEU 128 Cb 0.42 -3.70 0.07 0.00 0.03 0.00 0.00 46.19 43.01 2r3i s LEU 128 CO -0.01 -0.70 0.86 -1.59 0.23 0.00 0.00 176.35 175.13 2r3i s LYS 129 N -1.97 1.17 0.41 1.70 -2.85 -1.26 -4.79 119.74 112.15 2r3i s LYS 129 Ca 0.52 -0.57 0.13 0.00 -1.00 0.00 0.00 55.97 55.05 2r3i s LYS 129 Cb -0.42 0.45 0.97 0.00 -2.06 0.00 0.00 37.83 36.78 2r3i s LYS 129 CO 0.55 -0.53 1.95 -1.35 0.10 0.00 0.00 175.35 176.08 2r3i h PRO 130 N 2.00 0.47 0.00 1.78 0.11 -1.95 -1.09 132.00 133.33 2r3i h PRO 130 Ca -0.24 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.81 2r3i h PRO 130 Cb 1.25 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2r3i h PRO 130 CO 0.28 0.31 -0.15 0.37 -0.21 0.00 0.00 178.00 178.60 2r3i h GLN 131 N 0.49 0.00 -0.56 1.05 4.15 -1.96 -2.61 115.11 115.67 2r3i h GLN 131 Ca 0.32 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.74 2r3i h GLN 131 Cb 0.58 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.27 2r3i h GLN 131 CO -0.10 0.15 0.00 0.27 -1.93 0.00 0.00 178.83 177.22 2r3i n ASN 132 N -3.63 4.71 -4.36 -0.69 0.23 -0.42 -4.79 115.26 106.30 2r3i n ASN 132 Ca -0.01 -2.59 -0.37 0.00 -0.53 0.00 0.00 54.58 51.07 2r3i n ASN 132 Cb 0.28 -0.57 -0.13 0.00 -2.08 0.00 0.00 39.78 37.29 2r3i n ASN 132 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2r3i s LEU 133 N -2.10 3.73 0.01 -4.53 1.43 -1.01 -0.71 118.68 115.51 2r3i s LEU 133 Ca 0.49 -0.60 0.05 0.00 -1.03 0.00 0.00 54.13 53.04 2r3i s LEU 133 Cb 0.33 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.64 2r3i s LEU 133 CO 0.20 -0.16 -0.15 -0.76 0.23 0.00 0.00 176.35 175.72 2r3i s LEU 134 N 1.52 2.75 0.15 1.79 1.43 0.26 -0.32 118.68 126.26 2r3i s LEU 134 Ca 0.03 -0.31 0.08 0.00 -1.03 0.00 0.00 54.13 52.90 2r3i s LEU 134 Cb -0.17 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 2r3i s LEU 134 CO 0.02 0.28 -0.17 0.27 0.23 0.00 0.00 176.35 176.98 2r3i s ILE 135 N -0.90 1.70 0.48 -0.59 -4.36 0.12 -0.20 121.20 117.46 2r3i s ILE 135 Ca 0.14 -1.87 0.01 0.00 -0.26 0.00 0.00 60.65 58.68 2r3i s ILE 135 Cb -0.11 -1.77 -0.00 0.00 1.25 0.00 0.00 42.46 41.83 2r3i s ILE 135 CO 0.05 -0.34 0.04 -0.46 0.24 0.00 0.00 174.94 174.47 2r3i n ASN 136 N 0.35 2.78 0.00 4.36 0.23 -1.05 -3.41 115.26 118.52 2r3i n ASN 136 Ca -0.14 -3.20 0.09 0.00 -0.53 0.00 0.00 54.58 50.80 2r3i n ASN 136 Cb 0.57 0.55 0.42 0.00 -2.08 0.00 0.00 39.78 39.24 2r3i n ASN 136 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2r3i n THR 137 N -1.16 0.63 1.32 5.53 -2.24 -1.26 -3.18 114.28 113.92 2r3i n THR 137 Ca -0.17 0.16 0.13 0.00 -2.27 0.00 0.00 64.05 61.90 2r3i n THR 137 Cb 0.63 -0.83 0.39 0.00 -2.10 0.00 0.00 70.33 68.42 2r3i n THR 137 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2r3i n GLU 138 N -1.46 1.50 -0.44 -0.78 -0.58 -1.26 -4.63 120.64 112.99 2r3i n GLU 138 Ca 0.06 -0.97 0.00 0.00 -0.42 0.00 0.00 57.16 55.82 2r3i n GLU 138 Cb 0.21 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 2r3i n GLU 138 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2r3i n GLY 139 N 1.26 0.75 3.86 0.62 0.00 -1.19 -4.82 105.19 105.67 2r3i n GLY 139 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2r3i n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r3i s ALA 140 N -2.50 3.25 0.02 4.61 0.00 -1.26 -4.88 121.76 120.99 2r3i s ALA 140 Ca 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 51.96 51.91 2r3i s ALA 140 Cb 0.00 -2.85 -0.01 0.00 0.00 0.00 0.00 23.12 20.26 2r3i s ALA 140 CO 0.00 -0.10 -0.08 -1.50 0.00 0.00 0.00 175.76 174.07 2r3i s ILE 141 N -2.48 0.62 0.02 0.00 2.07 -1.26 -2.52 121.20 117.66 2r3i s ILE 141 Ca 0.54 -0.68 0.01 0.00 -1.41 0.00 0.00 60.65 59.11 2r3i s ILE 141 Cb -0.10 -0.59 -0.02 0.00 0.13 0.00 0.00 42.46 41.88 2r3i s ILE 141 CO 0.32 -0.06 -0.04 -0.54 -1.91 0.00 0.00 174.94 172.71 2r3i s LYS 142 N -0.81 0.35 -0.15 3.50 1.02 0.72 -4.66 119.74 119.71 2r3i s LYS 142 Ca -0.02 -0.60 -0.20 0.00 0.02 0.00 0.00 55.97 55.17 2r3i s LYS 142 Cb -0.06 -0.01 -0.03 0.00 -0.52 0.00 0.00 37.83 37.20 2r3i s LYS 142 CO 0.00 -0.02 0.59 -0.51 -0.92 0.00 0.00 175.35 174.49 2r3i s LEU 143 N -1.37 4.22 0.05 3.17 1.02 0.02 -0.58 118.68 125.22 2r3i s LEU 143 Ca -0.13 0.88 0.00 0.00 0.02 0.00 0.00 54.13 54.90 2r3i s LEU 143 Cb -0.09 -2.85 -0.04 0.00 0.02 0.00 0.00 46.19 43.22 2r3i s LEU 143 CO -0.01 -0.15 0.19 0.00 0.02 0.00 0.00 176.35 176.41 2r3i s ALA 144 N 1.27 3.95 -0.92 4.21 0.00 0.12 -1.13 121.76 129.26 2r3i s ALA 144 Ca 0.29 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.40 2r3i s ALA 144 Cb -0.16 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.17 2r3i s ALA 144 CO 0.12 0.81 0.00 -0.25 0.00 0.00 0.00 175.76 176.44 2r3i n ASP 145 N 0.39 -3.93 -4.72 0.00 8.00 -1.26 -4.87 116.55 110.16 2r3i n ASP 145 Ca -0.06 0.18 -0.43 0.00 0.71 0.00 0.00 54.79 55.20 2r3i n ASP 145 Cb 0.51 -2.38 -0.02 0.00 -0.02 0.00 0.00 41.12 39.21 2r3i n ASP 145 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2r3i n PHE 146 N -2.95 2.65 0.00 1.24 -0.00 -1.26 -2.58 117.46 114.56 2r3i n PHE 146 Ca -0.09 0.30 0.00 0.00 -0.00 0.00 0.00 57.45 57.66 2r3i n PHE 146 Cb 0.34 -2.56 0.00 0.00 -0.00 0.00 0.00 39.48 37.26 2r3i n PHE 146 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2r3i n GLY 147 N 2.21 2.55 0.19 7.13 0.00 -0.67 -4.87 105.19 111.74 2r3i n GLY 147 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 2r3i n GLY 147 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2r3i h LEU 148 N 0.00 0.29 -0.81 0.99 3.38 -1.76 -3.05 115.31 114.36 2r3i h LEU 148 Ca 0.00 -0.13 0.07 0.00 0.09 0.00 0.00 57.88 57.91 2r3i h LEU 148 Cb 0.00 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.61 2r3i h LEU 148 CO 0.00 0.71 0.48 0.00 0.09 0.00 0.00 178.44 179.73 2r3i h ALA 149 N 1.30 1.12 -0.19 1.53 0.00 -1.79 0.14 119.26 121.36 2r3i h ALA 149 Ca 0.01 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 2r3i h ALA 149 Cb 0.91 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2r3i h ALA 149 CO 0.07 0.18 -0.35 -0.09 0.00 0.00 0.00 179.25 179.06 2r3i h ARG 150 N 0.86 0.42 -0.16 0.00 2.43 -1.84 0.40 114.38 116.49 2r3i h ARG 150 Ca 0.36 -0.19 -0.22 0.00 -0.81 0.00 0.00 59.98 59.13 2r3i h ARG 150 Cb 0.22 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.77 2r3i h ARG 150 CO -0.19 0.72 -0.75 0.00 -1.51 0.00 0.00 179.97 178.24 2r3i h ALA 151 N 1.27 0.35 0.00 2.80 0.00 -1.21 -3.39 119.26 119.09 2r3i h ALA 151 Ca 0.04 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2r3i h ALA 151 Cb 0.79 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2r3i h ALA 151 CO 0.06 0.69 0.00 1.19 0.00 0.00 0.00 179.25 181.19 2r3i n PHE 152 N -3.94 0.00 0.00 0.00 3.72 0.38 -4.58 117.46 113.05 2r3i n PHE 152 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 2r3i n PHE 152 Cb 0.73 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.27 2r3i n PHE 152 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2r3i n GLY 153 N 0.80 -1.63 3.13 1.37 0.00 0.14 -4.86 105.19 104.14 2r3i n GLY 153 Ca 0.00 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 2r3i n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2r3i s VAL 154 N -2.13 2.72 0.78 1.61 1.01 -1.26 -4.58 120.40 118.55 2r3i s VAL 154 Ca 0.00 -1.52 -0.12 0.00 0.00 0.00 0.00 61.98 60.34 2r3i s VAL 154 Cb 0.00 -2.60 0.06 0.00 0.00 0.00 0.00 36.38 33.84 2r3i s VAL 154 CO 0.00 -0.12 1.14 -2.16 0.00 0.00 0.00 175.10 173.95 2r3i s PRO 155 N 1.19 2.20 0.10 2.72 0.04 -1.26 -4.99 135.00 135.00 2r3i s PRO 155 Ca -0.05 0.32 -0.13 0.00 0.04 0.00 0.00 61.00 61.17 2r3i s PRO 155 Cb -0.20 -1.96 -0.14 0.00 0.04 0.00 0.00 34.50 32.25 2r3i s PRO 155 CO -0.03 -1.47 1.33 0.28 0.04 0.00 0.00 177.00 177.15 2r3i h VAL 156 N -0.97 1.29 -3.95 -0.36 2.07 -1.95 -3.43 116.25 108.94 2r3i h VAL 156 Ca -0.46 -1.84 -0.58 0.00 0.82 0.00 0.00 66.70 64.64 2r3i h VAL 156 Cb 1.30 1.88 -0.22 0.00 -1.52 0.00 0.00 31.29 32.72 2r3i h VAL 156 CO 0.64 0.59 -0.83 -0.13 0.02 0.00 0.00 177.57 177.85 2r3i s ARG 157 N -3.89 1.19 1.04 1.57 1.81 -1.26 -1.71 118.95 117.69 2r3i s ARG 157 Ca -0.11 -1.17 -0.18 0.00 -1.72 0.00 0.00 55.73 52.56 2r3i s ARG 157 Cb 0.09 -1.47 0.24 0.00 -0.45 0.00 0.00 34.95 33.36 2r3i s ARG 157 CO 0.88 0.35 1.31 0.95 -0.68 0.00 0.00 175.30 178.12 2r3i s THR 158 N -1.11 1.92 0.57 0.02 -4.23 0.50 -4.84 115.64 108.46 2r3i s THR 158 Ca 0.07 0.00 0.39 0.00 -1.18 0.00 0.00 61.69 60.97 2r3i s THR 158 Cb -0.10 -2.91 0.41 0.00 1.34 0.00 0.00 72.50 71.24 2r3i s THR 158 CO 0.04 0.00 2.28 0.10 -0.54 0.00 0.00 174.62 176.51 2r3i h TYR 159 N -1.93 0.00 -0.60 3.99 -0.00 -1.76 0.04 116.97 116.71 2r3i h TYR 159 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.29 2r3i h TYR 159 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.96 2r3i h TYR 159 CO -1.68 0.01 0.00 0.25 -0.00 0.00 0.00 178.16 176.74 2r3i n THR 160 N -3.29 0.80 -0.91 -0.90 -2.24 -1.26 -4.92 114.28 101.57 2r3i n THR 160 Ca -0.03 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 2r3i n THR 160 Cb 0.11 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 2r3i n THR 160 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2r3i n HIS 161 N 1.30 0.00 -1.86 4.78 8.25 0.00 -5.00 115.22 122.69 2r3i n HIS 161 Ca 0.21 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.26 2r3i n HIS 161 Cb 0.52 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.33 2r3i n HIS 161 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2r3i s GLU 162 N -0.21 4.01 0.05 -0.41 2.12 -1.26 -4.59 118.70 118.41 2r3i s GLU 162 Ca 0.00 2.45 -0.31 0.00 0.36 0.00 0.00 54.97 57.48 2r3i s GLU 162 Cb 0.00 -2.88 -0.06 0.00 0.26 0.00 0.00 34.13 31.45 2r3i s GLU 162 CO 0.00 -0.56 1.37 0.08 -0.54 0.00 0.00 175.26 175.61 2r3i s VAL 163 N -1.16 3.59 -0.11 3.70 1.01 -1.26 -0.37 120.40 125.80 2r3i s VAL 163 Ca 0.55 1.07 -0.30 0.00 0.00 0.00 0.00 61.98 63.30 2r3i s VAL 163 Cb -0.44 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 2r3i s VAL 163 CO 0.59 0.04 1.25 -0.69 0.00 0.00 0.00 175.10 176.29 2r3i s VAL 164 N 1.74 4.23 0.50 2.92 1.01 -0.69 -4.88 120.40 125.23 2r3i s VAL 164 Ca 0.64 1.52 -0.23 0.00 0.00 0.00 0.00 61.98 63.91 2r3i s VAL 164 Cb -0.33 -3.98 -0.06 0.00 0.00 0.00 0.00 36.38 32.00 2r3i s VAL 164 CO 0.28 -0.07 1.40 0.28 0.00 0.00 0.00 175.10 176.99 2r3i s THR 165 N 2.92 2.04 -1.81 3.92 -1.32 -1.26 -4.92 115.64 115.20 2r3i s THR 165 Ca 0.56 0.03 0.23 0.00 -1.21 0.00 0.00 61.69 61.29 2r3i s THR 165 Cb -0.24 -3.02 -0.04 0.00 -1.51 0.00 0.00 72.50 67.70 2r3i s THR 165 CO 0.18 0.00 1.09 0.18 -2.21 0.00 0.00 174.62 173.86 2r3i n LEU 166 N -0.65 1.76 0.28 9.08 4.77 -1.26 -4.67 117.00 126.31 2r3i n LEU 166 Ca 0.08 -0.67 0.14 0.00 -0.03 0.00 0.00 56.01 55.53 2r3i n LEU 166 Cb 0.43 -0.01 0.86 0.00 -2.33 0.00 0.00 43.42 42.37 2r3i n LEU 166 CO 0.56 0.34 1.12 -0.50 -1.33 0.00 0.00 177.39 177.58 2r3i h TRP 167 N 1.87 0.00 -0.43 -1.77 6.55 -1.83 -1.99 115.95 118.35 2r3i h TRP 167 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 2r3i h TRP 167 Cb 0.69 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.99 2r3i h TRP 167 CO 0.00 0.00 0.00 0.66 -1.05 0.00 0.00 178.44 178.05 2r3i n TYR 168 N -3.99 0.57 -2.73 0.49 4.01 -1.26 -4.53 117.16 109.73 2r3i n TYR 168 Ca -0.03 -0.49 -0.42 0.00 -0.16 0.00 0.00 57.90 56.81 2r3i n TYR 168 Cb 0.10 -0.02 -0.04 0.00 -0.31 0.00 0.00 39.34 39.07 2r3i n TYR 168 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2r3i s ARG 169 N -1.00 4.61 0.55 -0.72 3.52 -0.75 -3.85 118.95 121.30 2r3i s ARG 169 Ca 0.29 1.41 -0.20 0.00 -0.13 0.00 0.00 55.73 57.11 2r3i s ARG 169 Cb 0.15 -3.43 -0.05 0.00 -1.56 0.00 0.00 34.95 30.06 2r3i s ARG 169 CO 0.20 0.06 1.16 0.00 -0.81 0.00 0.00 175.30 175.92 2r3i s ALA 170 N 0.59 2.69 0.38 6.12 0.00 -1.26 -4.89 121.76 125.38 2r3i s ALA 170 Ca 0.49 0.91 0.08 0.00 0.00 0.00 0.00 51.96 53.45 2r3i s ALA 170 Cb -0.22 -3.40 0.75 0.00 0.00 0.00 0.00 23.12 20.25 2r3i s ALA 170 CO 0.28 -0.89 1.92 -1.00 0.00 0.00 0.00 175.76 176.07 2r3i h PRO 171 N 1.21 0.32 0.00 0.00 0.13 -1.95 -1.73 132.00 129.99 2r3i h PRO 171 Ca -0.50 -0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 64.52 2r3i h PRO 171 Cb 1.27 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2r3i h PRO 171 CO 0.57 0.41 -0.21 1.05 -0.23 0.00 0.00 178.00 179.59 2r3i h GLU 172 N 0.31 0.00 -0.08 0.86 9.09 -1.92 0.67 114.58 123.51 2r3i h GLU 172 Ca 0.07 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.43 2r3i h GLU 172 Cb 0.33 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.43 2r3i h GLU 172 CO 0.02 0.21 -0.13 0.82 0.05 0.00 0.00 179.01 179.97 2r3i h ILE 173 N 0.00 1.40 0.00 -1.06 2.04 -1.70 -2.89 117.51 115.30 2r3i h ILE 173 Ca -0.00 -1.40 -0.00 0.00 1.00 0.00 0.00 64.86 64.46 2r3i h ILE 173 Cb 0.41 2.14 -0.00 0.00 -0.74 0.00 0.00 36.82 38.62 2r3i h ILE 173 CO 0.03 0.39 -0.02 -0.07 0.00 0.00 0.00 178.15 178.48 2r3i h LEU 174 N -0.24 0.00 -1.07 1.44 3.38 -1.11 -1.78 115.31 115.93 2r3i h LEU 174 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2r3i h LEU 174 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2r3i h LEU 174 CO 0.03 0.02 0.00 0.18 0.09 0.00 0.00 178.44 178.76 2r3i n LEU 175 N -4.49 1.61 -0.34 1.67 4.77 0.18 -4.83 117.00 115.57 2r3i n LEU 175 Ca -0.03 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 2r3i n LEU 175 Cb 0.10 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2r3i n LEU 175 CO 0.34 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 2r3i n GLY 176 N 1.13 -1.24 0.00 -0.72 0.00 -0.67 -1.11 105.19 102.58 2r3i n GLY 176 Ca 0.16 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2r3i n GLY 176 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2r3i n LYS 178 N 1.42 0.52 -2.04 1.61 5.02 -1.26 -4.62 118.16 118.81 2r3i n LYS 178 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 2r3i n LYS 178 Cb 0.00 -0.60 0.03 0.00 -0.02 0.00 0.00 35.03 34.44 2r3i n LYS 178 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2r3i n TYR 179 N -1.09 3.06 -0.72 2.13 4.01 -1.26 -5.04 117.16 118.25 2r3i n TYR 179 Ca 0.00 -2.64 -0.31 0.00 -0.16 0.00 0.00 57.90 54.79 2r3i n TYR 179 Cb 0.10 -0.53 0.16 0.00 -0.31 0.00 0.00 39.34 38.75 2r3i n TYR 179 CO 0.00 0.00 0.00 2.48 -0.46 0.00 0.00 176.86 178.88 2r3i n TYR 180 N -0.65 0.60 -4.18 -0.72 0.18 -1.26 -5.03 117.16 106.11 2r3i n TYR 180 Ca 0.47 0.38 -0.08 0.00 1.88 0.00 0.00 57.90 60.55 2r3i n TYR 180 Cb 0.74 -1.98 -0.02 0.00 -0.38 0.00 0.00 39.34 37.70 2r3i n TYR 180 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 2r3i n SER 181 N -3.83 2.16 0.31 9.48 3.41 -1.26 -5.03 113.62 118.86 2r3i n SER 181 Ca 0.11 -1.54 0.17 0.00 -0.26 0.00 0.00 58.87 57.35 2r3i n SER 181 Cb 0.52 0.11 0.98 0.00 -0.26 0.00 0.00 64.21 65.56 2r3i n SER 181 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2r3i h THR 182 N 1.08 0.39 -0.22 6.66 1.35 -1.95 -1.41 112.91 118.81 2r3i h THR 182 Ca -0.10 -0.05 0.06 0.00 -0.55 0.00 0.00 66.41 65.78 2r3i h THR 182 Cb 0.31 1.03 -0.01 0.00 -1.73 0.00 0.00 68.15 67.75 2r3i h THR 182 CO 0.17 0.01 0.19 0.00 -0.25 0.00 0.00 175.52 175.64 2r3i h ALA 183 N 1.99 1.99 0.00 6.62 0.00 -1.94 -1.68 119.26 126.24 2r3i h ALA 183 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2r3i h ALA 183 Cb 0.03 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2r3i h ALA 183 CO 0.00 -0.30 -0.04 -0.39 0.00 0.00 0.00 179.25 178.52 2r3i h VAL 184 N 0.00 0.80 0.07 0.00 -1.51 -1.65 -2.03 116.25 111.93 2r3i h VAL 184 Ca 0.10 -0.16 -0.24 0.00 -1.23 0.00 0.00 66.70 65.17 2r3i h VAL 184 Cb 0.49 1.09 -0.01 0.00 -2.13 0.00 0.00 31.29 30.73 2r3i h VAL 184 CO -0.00 0.04 -1.10 0.44 -1.23 0.00 0.00 177.57 175.72 2r3i h ASP 185 N 0.00 0.32 -0.66 4.19 3.32 -1.52 -2.42 116.42 119.65 2r3i h ASP 185 Ca -0.00 -0.32 -0.04 0.00 0.02 0.00 0.00 57.03 56.69 2r3i h ASP 185 Cb 0.09 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 2r3i h ASP 185 CO 0.01 1.21 0.26 0.40 -1.72 0.00 0.00 179.24 179.40 2r3i h ILE 186 N 0.08 1.24 -0.03 0.35 1.08 -1.44 -0.86 117.51 117.92 2r3i h ILE 186 Ca -0.09 -0.75 0.01 0.00 -0.39 0.00 0.00 64.86 63.64 2r3i h ILE 186 Cb 1.81 0.49 -0.01 0.00 -3.07 0.00 0.00 36.82 36.04 2r3i h ILE 186 CO 0.17 0.30 -0.01 -0.25 -0.69 0.00 0.00 178.15 177.67 2r3i h TRP 187 N 0.93 -0.01 -0.57 1.37 2.91 -1.30 0.37 115.95 119.64 2r3i h TRP 187 Ca 0.22 0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.27 2r3i h TRP 187 Cb 0.21 0.01 -0.04 0.00 -0.51 0.00 0.00 29.16 28.83 2r3i h TRP 187 CO 0.01 -0.01 0.35 0.77 -1.03 0.00 0.00 178.44 178.53 2r3i h SER 188 N 0.00 0.56 -0.07 2.65 0.02 -1.23 -1.10 113.55 114.38 2r3i h SER 188 Ca 0.01 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.88 2r3i h SER 188 Cb 0.02 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 2r3i h SER 188 CO -0.03 0.39 -0.21 0.25 -1.14 0.00 0.00 176.83 176.08 2r3i h LEU 189 N 0.68 0.47 -0.62 5.07 5.85 -0.88 -1.52 115.31 124.36 2r3i h LEU 189 Ca 0.23 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2r3i h LEU 189 Cb 0.03 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 2r3i h LEU 189 CO -0.11 0.69 0.31 1.23 -0.34 0.00 0.00 178.44 180.22 2r3i h GLY 190 N 0.99 0.95 0.91 3.75 0.00 0.10 0.55 103.07 110.33 2r3i h GLY 190 Ca 0.07 -0.46 0.03 0.00 0.00 0.00 0.00 47.33 46.97 2r3i h GLY 190 CO 0.04 0.44 0.60 0.00 0.00 0.00 0.00 176.54 177.62 2r3i h ILE 192 N 1.17 1.27 -0.16 0.00 2.04 -0.81 -1.94 117.51 119.08 2r3i h ILE 192 Ca 0.36 -1.45 0.03 0.00 1.00 0.00 0.00 64.86 64.79 2r3i h ILE 192 Cb -0.04 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 2r3i h ILE 192 CO -0.11 0.49 -0.01 0.15 0.00 0.00 0.00 178.15 178.68 2r3i h PHE 193 N 0.80 -0.02 -0.96 1.37 3.57 -0.56 -0.37 116.94 120.76 2r3i h PHE 193 Ca 0.09 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.65 2r3i h PHE 193 Cb 0.86 0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.58 2r3i h PHE 193 CO 0.05 -0.03 0.62 0.00 -2.23 0.00 0.00 178.31 176.72 2r3i h ALA 194 N 1.14 1.31 -0.45 2.41 0.00 -1.15 -1.99 119.26 120.52 2r3i h ALA 194 Ca 0.07 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2r3i h ALA 194 Cb 0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2r3i h ALA 194 CO -0.13 0.45 -0.17 1.49 0.00 0.00 0.00 179.25 180.88 2r3i h GLU 195 N 1.16 0.87 -0.72 0.00 4.81 -0.77 -0.52 114.58 119.40 2r3i h GLU 195 Ca 0.40 -0.33 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 2r3i h GLU 195 Cb 0.10 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 2r3i h GLU 195 CO -0.15 0.97 0.26 0.52 -0.73 0.00 0.00 179.01 179.88 2r3i h MET 196 N 0.76 1.10 -0.08 1.92 2.86 -0.53 0.55 114.93 121.52 2r3i h MET 196 Ca 0.11 -0.22 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 2r3i h MET 196 Cb 0.70 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.19 2r3i h MET 196 CO 0.05 0.92 -0.03 0.28 1.06 0.00 0.00 176.91 179.19 2r3i h VAL 197 N 1.05 1.31 0.00 -2.22 2.07 -1.09 -3.35 116.25 114.02 2r3i h VAL 197 Ca 0.24 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.77 2r3i h VAL 197 Cb 0.25 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 2r3i h VAL 197 CO -0.01 0.28 -0.96 0.35 0.02 0.00 0.00 177.57 177.24 2r3i n THR 198 N -4.78 0.35 -1.88 2.57 -2.24 -0.23 -4.82 114.28 103.25 2r3i n THR 198 Ca -0.07 -0.36 -0.08 0.00 -2.27 0.00 0.00 64.05 61.27 2r3i n THR 198 Cb 0.24 -0.07 -0.01 0.00 -2.10 0.00 0.00 70.33 68.39 2r3i n THR 198 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2r3i n ARG 199 N -2.24 -0.65 -3.68 -0.78 1.74 0.18 -5.01 116.66 106.22 2r3i n ARG 199 Ca 0.01 0.53 -0.15 0.00 -0.77 0.00 0.00 57.85 57.48 2r3i n ARG 199 Cb 0.48 -4.47 -0.08 0.00 -1.02 0.00 0.00 32.46 27.37 2r3i n ARG 199 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2r3i s ARG 200 N -3.89 0.78 0.48 5.56 3.52 -1.23 -5.07 118.95 119.11 2r3i s ARG 200 Ca 0.00 0.06 -0.24 0.00 -0.13 0.00 0.00 55.73 55.42 2r3i s ARG 200 Cb 0.00 0.36 -0.07 0.00 -1.56 0.00 0.00 34.95 33.68 2r3i s ARG 200 CO 0.00 -0.22 1.41 0.00 -0.81 0.00 0.00 175.30 175.68 2r3i s ALA 201 N -1.09 3.10 -0.05 6.12 0.00 -1.26 -4.20 121.76 124.38 2r3i s ALA 201 Ca -0.11 1.43 -0.25 0.00 0.00 0.00 0.00 51.96 53.03 2r3i s ALA 201 Cb -0.03 -3.59 -0.23 0.00 0.00 0.00 0.00 23.12 19.27 2r3i s ALA 201 CO 0.06 -1.26 1.06 1.25 0.00 0.00 0.00 175.76 176.86 2r3i h LEU 202 N 2.03 0.20 -6.40 0.00 5.85 -1.91 -3.41 115.31 111.67 2r3i h LEU 202 Ca -0.51 -0.74 -0.59 0.00 0.84 0.00 0.00 57.88 56.88 2r3i h LEU 202 Cb 1.28 -0.06 -0.40 0.00 0.37 0.00 0.00 40.66 41.85 2r3i h LEU 202 CO 0.60 0.91 -0.84 0.49 -0.34 0.00 0.00 178.44 179.26 2r3i n PHE 203 N -4.55 1.12 -1.63 1.25 3.72 -1.26 -5.02 117.46 111.09 2r3i n PHE 203 Ca -0.09 -3.78 -0.40 0.00 -0.05 0.00 0.00 57.45 53.12 2r3i n PHE 203 Cb 0.47 -0.27 -0.01 0.00 -0.94 0.00 0.00 39.48 38.72 2r3i n PHE 203 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2r3i n PRO 204 N 1.85 3.53 -2.18 -1.08 -0.04 -1.26 -4.35 135.00 131.48 2r3i n PRO 204 Ca 0.25 -2.62 -0.36 0.00 -0.04 0.00 0.00 63.50 60.74 2r3i n PRO 204 Cb 0.45 -2.95 0.01 0.00 -0.04 0.00 0.00 33.50 30.97 2r3i n PRO 204 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2r3i s GLY 205 N 2.15 2.69 -0.10 0.55 0.00 -1.26 -4.95 107.32 106.39 2r3i s GLY 205 Ca 0.57 0.91 0.15 0.00 0.00 0.00 0.00 44.72 46.35 2r3i s GLY 205 CO -0.07 1.29 1.11 2.09 0.00 0.00 0.00 173.10 177.53 2r3i n ASP 206 N -1.26 2.21 -3.64 1.64 5.75 -1.26 -4.61 116.55 115.38 2r3i n ASP 206 Ca 0.12 -2.84 -0.04 0.00 -0.01 0.00 0.00 54.79 52.02 2r3i n ASP 206 Cb 0.50 -0.34 -0.01 0.00 -1.03 0.00 0.00 41.12 40.24 2r3i n ASP 206 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2r3i s SER 207 N -2.45 -0.21 0.22 -1.12 1.04 -1.26 -4.99 113.70 104.94 2r3i s SER 207 Ca 0.25 -0.19 -0.08 0.00 0.48 0.00 0.00 55.95 56.41 2r3i s SER 207 Cb 0.22 0.36 0.18 0.00 0.10 0.00 0.00 66.02 66.87 2r3i s SER 207 CO 0.02 -0.63 1.83 -0.33 0.98 0.00 0.00 173.24 175.11 2r3i h GLU 208 N 2.00 1.16 -0.17 4.02 5.08 -1.99 -0.25 114.58 124.43 2r3i h GLU 208 Ca -0.23 -0.15 -0.15 0.00 -1.00 0.00 0.00 59.36 57.84 2r3i h GLU 208 Cb 1.22 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 2r3i h GLU 208 CO 0.27 0.87 -0.52 0.97 -1.00 0.00 0.00 179.01 179.61 2r3i h ILE 209 N 1.16 1.33 -0.25 3.13 6.09 -1.98 -1.58 117.51 125.41 2r3i h ILE 209 Ca 0.29 -1.75 -0.12 0.00 -1.37 0.00 0.00 64.86 61.91 2r3i h ILE 209 Cb 0.06 1.75 -0.01 0.00 0.47 0.00 0.00 36.82 39.09 2r3i h ILE 209 CO -0.04 0.54 -0.34 -0.78 -3.07 0.00 0.00 178.15 174.46 2r3i h ASP 210 N 0.38 0.55 0.02 2.19 3.58 -1.86 0.15 116.42 121.42 2r3i h ASP 210 Ca 0.01 -0.22 -0.00 0.00 0.42 0.00 0.00 57.03 57.24 2r3i h ASP 210 Cb 1.03 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.93 2r3i h ASP 210 CO 0.09 0.85 -0.01 -0.61 -2.88 0.00 0.00 179.24 176.68 2r3i h GLN 211 N 0.45 -0.03 0.02 0.28 5.75 -0.82 -0.00 115.11 120.76 2r3i h GLN 211 Ca 0.05 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.55 2r3i h GLN 211 Cb 0.80 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.36 2r3i h GLN 211 CO 0.07 0.13 -0.01 -0.07 -2.65 0.00 0.00 178.83 176.29 2r3i h LEU 212 N -0.17 -0.02 -1.60 -2.39 3.38 -1.07 -1.80 115.31 111.64 2r3i h LEU 212 Ca -0.00 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2r3i h LEU 212 Cb 0.16 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2r3i h LEU 212 CO 0.00 0.02 -0.08 -0.26 0.09 0.00 0.00 178.44 178.22 2r3i h PHE 213 N -0.06 0.16 -0.53 1.13 0.04 -0.61 0.14 116.94 117.21 2r3i h PHE 213 Ca -0.00 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.71 2r3i h PHE 213 Cb 0.05 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 2r3i h PHE 213 CO -0.07 0.25 0.13 0.00 -0.60 0.00 0.00 178.31 178.02 2r3i h ARG 214 N 0.16 0.84 -0.33 1.51 3.08 -0.72 -0.18 114.38 118.75 2r3i h ARG 214 Ca 0.04 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.89 2r3i h ARG 214 Cb 0.24 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 2r3i h ARG 214 CO 0.01 0.80 0.21 0.82 -1.07 0.00 0.00 179.97 180.74 2r3i h ILE 215 N 0.74 1.10 -0.70 2.04 2.04 -0.35 -2.83 117.51 119.55 2r3i h ILE 215 Ca 0.17 -0.22 -0.07 0.00 1.00 0.00 0.00 64.86 65.74 2r3i h ILE 215 Cb 0.33 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 2r3i h ILE 215 CO 0.00 0.10 0.15 -0.26 0.00 0.00 0.00 178.15 178.14 2r3i h PHE 216 N 0.44 1.20 -0.98 1.37 0.04 -0.59 0.46 116.94 118.88 2r3i h PHE 216 Ca 0.12 -0.15 0.03 0.00 2.80 0.00 0.00 57.97 60.77 2r3i h PHE 216 Cb -0.02 -0.33 -0.06 0.00 2.20 0.00 0.00 35.95 37.74 2r3i h PHE 216 CO -0.05 0.98 0.64 0.00 -0.60 0.00 0.00 178.31 179.28 2r3i h ARG 217 N 1.07 1.22 0.12 1.51 -0.00 -0.85 0.25 114.38 117.70 2r3i h ARG 217 Ca 0.22 -0.07 -0.17 0.00 -0.50 0.00 0.00 59.98 59.45 2r3i h ARG 217 Cb 0.40 -0.27 0.01 0.00 0.00 0.00 0.00 29.97 30.11 2r3i h ARG 217 CO 0.01 0.81 -0.79 1.15 0.00 0.00 0.00 179.97 181.14 2r3i h THR 218 N 1.25 1.48 -0.01 2.04 2.02 -1.24 -3.39 112.91 115.06 2r3i h THR 218 Ca 0.38 -2.49 0.00 0.00 0.77 0.00 0.00 66.41 65.07 2r3i h THR 218 Cb -0.03 3.15 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 2r3i h THR 218 CO -0.11 0.69 -0.52 0.18 0.37 0.00 0.00 175.52 176.13 2r3i n LEU 219 N -4.17 1.95 0.00 2.58 4.77 0.12 -0.41 117.00 121.84 2r3i n LEU 219 Ca -0.15 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 2r3i n LEU 219 Cb 0.79 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 2r3i n LEU 219 CO 0.45 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 2r3i n GLY 220 N 1.42 0.00 3.71 -0.72 0.00 0.89 -4.47 105.19 106.02 2r3i n GLY 220 Ca 0.09 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 2r3i n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2r3i s THR 221 N -2.67 3.12 0.55 2.61 2.01 -0.51 -4.57 115.64 116.19 2r3i s THR 221 Ca 0.00 0.73 -0.19 0.00 0.31 0.00 0.00 61.69 62.54 2r3i s THR 221 Cb 0.00 -3.47 -0.05 0.00 0.01 0.00 0.00 72.50 68.99 2r3i s THR 221 CO 0.00 0.03 1.14 -2.16 -0.69 0.00 0.00 174.62 172.94 2r3i s PRO 222 N 1.66 3.30 0.28 4.92 0.04 -1.26 -4.88 135.00 139.05 2r3i s PRO 222 Ca 0.68 1.63 0.04 0.00 0.04 0.00 0.00 61.00 63.38 2r3i s PRO 222 Cb -0.39 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.15 2r3i s PRO 222 CO 0.30 -0.90 0.29 -0.40 0.04 0.00 0.00 177.00 176.34 2r3i n ASP 223 N -1.37 -0.76 0.28 6.66 5.68 -1.26 -4.99 116.55 120.80 2r3i n ASP 223 Ca 0.12 -2.71 0.17 0.00 -0.50 0.00 0.00 54.79 51.87 2r3i n ASP 223 Cb 0.51 1.61 0.80 0.00 -1.14 0.00 0.00 41.12 42.90 2r3i n ASP 223 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2r3i h GLU 224 N 0.00 0.00 -0.04 0.11 4.39 -1.97 -0.19 114.58 116.89 2r3i h GLU 224 Ca -0.20 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.47 2r3i h GLU 224 Cb 0.98 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 2r3i h GLU 224 CO 0.29 0.04 -0.07 0.28 -1.16 0.00 0.00 179.01 178.39 2r3i h VAL 225 N 0.00 1.43 0.00 3.13 2.07 -1.99 -3.12 116.25 117.77 2r3i h VAL 225 Ca -0.00 -1.37 -0.06 0.00 0.82 0.00 0.00 66.70 66.09 2r3i h VAL 225 Cb 0.39 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 2r3i h VAL 225 CO 0.01 0.37 -0.64 -0.37 0.02 0.00 0.00 177.57 176.95 2r3i h VAL 226 N -0.41 0.30 -2.07 2.57 -1.51 -1.93 -3.41 116.25 109.80 2r3i h VAL 226 Ca 0.00 -1.48 -0.49 0.00 -1.23 0.00 0.00 66.70 63.50 2r3i h VAL 226 Cb 0.64 1.98 -0.33 0.00 -2.13 0.00 0.00 31.29 31.44 2r3i h VAL 226 CO 0.02 0.17 -0.86 0.86 -1.23 0.00 0.00 177.57 176.53 2r3i s TRP 227 N -3.14 0.45 0.17 5.19 -0.11 -0.10 -4.41 118.94 116.99 2r3i s TRP 227 Ca 0.02 -1.87 -0.34 0.00 1.22 0.00 0.00 56.10 55.14 2r3i s TRP 227 Cb 0.07 -0.63 -0.14 0.00 -1.50 0.00 0.00 33.47 31.28 2r3i s TRP 227 CO 0.75 -0.93 1.59 -2.30 -4.62 0.00 0.00 176.95 171.44 2r3i n PRO 228 N 2.98 2.22 -0.03 5.86 -0.02 -1.18 -1.02 135.00 143.81 2r3i n PRO 228 Ca 0.26 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.54 2r3i n PRO 228 Cb 0.49 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 2r3i n PRO 228 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r3i n GLY 229 N 3.42 0.94 0.35 -1.23 0.00 -1.26 -4.95 105.19 102.47 2r3i n GLY 229 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.21 2r3i n GLY 229 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2r3i h VAL 230 N 0.00 1.12 0.00 1.61 3.04 -1.38 -1.43 116.25 119.21 2r3i h VAL 230 Ca 0.00 -0.33 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 2r3i h VAL 230 Cb 0.00 0.07 0.00 0.00 -2.01 0.00 0.00 31.29 29.35 2r3i h VAL 230 CO 0.00 0.18 0.00 0.35 -1.01 0.00 0.00 177.57 177.09 2r3i n THR 231 N -4.45 0.50 -0.15 3.17 -2.24 -1.26 -1.55 114.28 108.29 2r3i n THR 231 Ca 0.10 0.12 0.09 0.00 -2.27 0.00 0.00 64.05 62.10 2r3i n THR 231 Cb 0.12 -0.85 0.24 0.00 -2.10 0.00 0.00 70.33 67.74 2r3i n THR 231 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2r3i n SER 232 N -1.27 3.45 -4.79 3.42 7.64 -0.54 -4.91 113.62 116.62 2r3i n SER 232 Ca 0.08 -1.97 -0.34 0.00 1.01 0.00 0.00 58.87 57.65 2r3i n SER 232 Cb 0.13 -0.34 -0.01 0.00 -1.01 0.00 0.00 64.21 62.98 2r3i n SER 232 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2r3i s MET 233 N -1.08 3.47 0.27 1.43 -1.94 -0.59 -4.97 119.30 115.89 2r3i s MET 233 Ca 0.37 1.41 -0.00 0.00 -1.71 0.00 0.00 55.69 55.76 2r3i s MET 233 Cb 0.20 -2.04 0.59 0.00 2.01 0.00 0.00 34.83 35.59 2r3i s MET 233 CO 0.26 -0.72 1.72 -1.35 -0.01 0.00 0.00 175.02 174.93 2r3i h PRO 234 N 1.08 0.45 -0.49 2.03 0.11 -1.79 -2.62 132.00 130.78 2r3i h PRO 234 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2r3i h PRO 234 Cb 1.24 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2r3i h PRO 234 CO 0.58 0.30 0.00 -0.25 -0.21 0.00 0.00 178.00 178.41 2r3i n ASP 235 N -4.99 3.46 -4.75 -2.05 8.00 -0.26 -4.94 116.55 111.01 2r3i n ASP 235 Ca 0.18 -1.96 -0.41 0.00 0.71 0.00 0.00 54.79 53.31 2r3i n ASP 235 Cb 0.52 -0.32 -0.04 0.00 -0.02 0.00 0.00 41.12 41.26 2r3i n ASP 235 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2r3i s TYR 236 N -1.17 3.43 -0.08 1.24 5.04 -0.99 -4.93 117.35 119.88 2r3i s TYR 236 Ca 0.38 1.50 0.03 0.00 -2.44 0.00 0.00 57.07 56.54 2r3i s TYR 236 Cb 0.21 -3.42 0.01 0.00 0.35 0.00 0.00 41.96 39.11 2r3i s TYR 236 CO 0.28 -1.09 -0.18 0.15 -1.34 0.00 0.00 175.55 173.37 2r3i s LYS 237 N -0.78 2.36 0.67 4.97 -0.14 -1.26 -4.90 119.74 120.65 2r3i s LYS 237 Ca 0.50 -0.64 0.44 0.00 -1.36 0.00 0.00 55.97 54.91 2r3i s LYS 237 Cb -0.33 -1.85 2.40 0.00 -1.68 0.00 0.00 37.83 36.38 2r3i s LYS 237 CO 0.40 0.10 2.36 -1.35 -0.76 0.00 0.00 175.35 176.10 2r3i h PRO 238 N 6.84 0.00 -0.05 -1.68 0.11 -1.96 -0.65 132.00 134.61 2r3i h PRO 238 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2r3i h PRO 238 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2r3i h PRO 238 CO 0.47 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.13 2r3i n SER 239 N -3.11 0.61 -4.73 -2.05 3.41 -1.26 -4.87 113.62 101.62 2r3i n SER 239 Ca -0.03 -1.44 -0.42 0.00 -0.26 0.00 0.00 58.87 56.72 2r3i n SER 239 Cb 0.08 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 63.99 2r3i n SER 239 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2r3i n PHE 240 N -0.42 2.64 -1.85 7.33 3.72 -0.26 -4.94 117.46 123.68 2r3i n PHE 240 Ca 0.17 0.42 -0.36 0.00 -0.05 0.00 0.00 57.45 57.62 2r3i n PHE 240 Cb 0.17 -2.51 0.05 0.00 -0.94 0.00 0.00 39.48 36.26 2r3i n PHE 240 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 2r3i s PRO 241 N -1.31 2.73 -0.49 -1.08 0.02 -1.26 -4.97 135.00 128.64 2r3i s PRO 241 Ca 0.59 1.92 -0.14 0.00 0.02 0.00 0.00 61.00 63.39 2r3i s PRO 241 Cb -0.53 -1.89 0.10 0.00 0.02 0.00 0.00 34.50 32.20 2r3i s PRO 241 CO 0.57 -1.42 0.41 0.15 -0.33 0.00 0.00 177.00 176.37 2r3i s LYS 242 N -3.41 2.88 0.08 5.54 -0.14 -1.26 -4.79 119.74 118.65 2r3i s LYS 242 Ca 0.79 -1.53 -0.02 0.00 -1.36 0.00 0.00 55.97 53.84 2r3i s LYS 242 Cb -0.33 -4.12 -0.05 0.00 -1.68 0.00 0.00 37.83 31.65 2r3i s LYS 242 CO 0.37 -1.14 0.28 -1.58 -0.76 0.00 0.00 175.35 172.51 2r3i s TRP 243 N 1.57 3.51 0.27 3.18 0.51 -1.26 -4.93 118.94 121.79 2r3i s TRP 243 Ca 0.04 0.40 -0.13 0.00 -2.12 0.00 0.00 56.10 54.29 2r3i s TRP 243 Cb -0.26 -1.88 -0.08 0.00 -0.81 0.00 0.00 33.47 30.44 2r3i s TRP 243 CO 0.04 0.54 0.65 0.00 -0.51 0.00 0.00 176.95 177.66 2r3i s ALA 244 N -1.54 3.44 0.29 0.98 0.00 -1.26 -1.42 121.76 122.25 2r3i s ALA 244 Ca 0.36 -0.10 -0.29 0.00 0.00 0.00 0.00 51.96 51.93 2r3i s ALA 244 Cb -0.13 -2.62 -0.10 0.00 0.00 0.00 0.00 23.12 20.28 2r3i s ALA 244 CO 0.25 0.41 1.20 0.50 0.00 0.00 0.00 175.76 178.13 2r3i s ARG 245 N -2.86 4.50 0.22 0.00 3.52 -1.26 -4.20 118.95 118.87 2r3i s ARG 245 Ca 0.50 1.99 -0.10 0.00 -0.13 0.00 0.00 55.73 57.99 2r3i s ARG 245 Cb -0.11 -3.15 -0.07 0.00 -1.56 0.00 0.00 34.95 30.06 2r3i s ARG 245 CO 0.19 0.00 0.54 -0.65 -0.81 0.00 0.00 175.30 174.58 2r3i s GLN 246 N -1.40 3.80 0.30 5.12 -0.21 0.45 -4.90 119.66 122.84 2r3i s GLN 246 Ca 0.48 0.27 -0.29 0.00 0.02 0.00 0.00 55.36 55.84 2r3i s GLN 246 Cb -0.35 -2.67 -0.10 0.00 1.00 0.00 0.00 33.01 30.89 2r3i s GLN 246 CO 0.45 0.33 1.26 -0.51 -2.12 0.00 0.00 175.29 174.70 2r3i s ASP 247 N -2.33 6.91 0.61 5.90 1.01 -1.26 -4.88 116.67 122.64 2r3i s ASP 247 Ca 0.47 2.55 0.37 0.00 0.71 0.00 0.00 52.55 56.65 2r3i s ASP 247 Cb -0.11 -2.64 1.98 0.00 1.01 0.00 0.00 42.92 43.16 2r3i s ASP 247 CO 0.21 -0.43 2.24 -0.26 0.21 0.00 0.00 175.17 177.14 2r3i h PHE 248 N 3.74 0.00 0.00 4.23 -1.00 -1.96 -0.21 116.94 121.74 2r3i h PHE 248 Ca -0.48 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.28 2r3i h PHE 248 Cb 1.22 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.78 2r3i h PHE 248 CO 0.57 0.02 -0.10 0.66 -1.61 0.00 0.00 178.31 177.86 2r3i h SER 249 N 0.00 0.00 0.46 2.17 4.64 -1.93 -0.54 113.55 118.35 2r3i h SER 249 Ca -0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 2r3i h SER 249 Cb 0.14 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.23 2r3i h SER 249 CO 0.00 0.10 -1.45 0.50 -0.87 0.00 0.00 176.83 175.11 2r3i h LYS 250 N 0.00 0.32 -0.03 4.77 3.64 -1.41 -3.30 116.57 120.55 2r3i h LYS 250 Ca -0.00 -0.54 -0.04 0.00 -1.27 0.00 0.00 60.65 58.80 2r3i h LYS 250 Cb 0.20 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2r3i h LYS 250 CO 0.01 1.22 -0.15 0.28 -2.27 0.00 0.00 179.45 178.54 2r3i h VAL 251 N 0.09 1.49 -1.26 2.00 2.07 -1.09 -3.39 116.25 116.15 2r3i h VAL 251 Ca -0.22 -1.66 -0.50 0.00 0.82 0.00 0.00 66.70 65.13 2r3i h VAL 251 Cb 2.03 2.50 -0.41 0.00 -1.52 0.00 0.00 31.29 33.89 2r3i h VAL 251 CO 0.20 0.45 -0.89 1.33 0.02 0.00 0.00 177.57 178.68 2r3i n VAL 252 N -4.61 1.92 -1.95 2.57 0.24 -0.29 -4.98 118.33 111.24 2r3i n VAL 252 Ca -0.09 -4.24 -0.39 0.00 -2.04 0.00 0.00 64.34 57.59 2r3i n VAL 252 Cb 0.42 -0.58 0.02 0.00 -1.47 0.00 0.00 33.84 32.23 2r3i n VAL 252 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2r3i s PRO 253 N -3.43 3.54 -0.52 7.34 0.04 -1.24 -1.10 135.00 139.63 2r3i s PRO 253 Ca 0.41 2.14 0.02 0.00 0.04 0.00 0.00 61.00 63.61 2r3i s PRO 253 Cb 0.42 -2.46 0.50 0.00 0.04 0.00 0.00 34.50 32.99 2r3i s PRO 253 CO -0.10 -0.84 1.79 -0.35 0.04 0.00 0.00 177.00 177.55 2r3i n PRO 254 N -0.53 2.68 -1.73 0.56 -0.04 -1.26 -4.72 135.00 129.95 2r3i n PRO 254 Ca 0.07 -3.39 -0.42 0.00 -0.04 0.00 0.00 63.50 59.72 2r3i n PRO 254 Cb 0.45 -2.21 -0.00 0.00 -0.04 0.00 0.00 33.50 31.69 2r3i n PRO 254 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2r3i n LEU 255 N -0.95 4.10 -4.78 1.53 7.94 -0.26 -4.97 117.00 119.61 2r3i n LEU 255 Ca 0.55 1.21 -0.29 0.00 -1.11 0.00 0.00 56.01 56.38 2r3i n LEU 255 Cb 0.95 -1.55 0.14 0.00 0.53 0.00 0.00 43.42 43.49 2r3i n LEU 255 CO 0.62 -0.19 0.72 1.51 -1.11 0.00 0.00 177.39 178.93 2r3i s ASP 256 N -0.20 3.34 0.39 1.96 1.47 -1.26 -4.72 116.67 117.65 2r3i s ASP 256 Ca 0.55 0.92 0.09 0.00 1.18 0.00 0.00 52.55 55.28 2r3i s ASP 256 Cb -0.53 -1.46 0.80 0.00 -0.34 0.00 0.00 42.92 41.40 2r3i s ASP 256 CO 0.62 -2.65 1.95 -0.08 0.68 0.00 0.00 175.17 175.70 2r3i h GLU 257 N -1.57 0.33 -0.42 2.11 4.57 -1.98 0.16 114.58 117.79 2r3i h GLU 257 Ca -0.50 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 57.60 2r3i h GLU 257 Cb 1.33 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.84 2r3i h GLU 257 CO 0.59 0.38 0.17 -0.44 -1.18 0.00 0.00 179.01 178.53 2r3i h ASP 258 N 0.33 0.58 -0.56 1.04 3.32 -1.97 -1.03 116.42 118.12 2r3i h ASP 258 Ca 0.07 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 56.86 2r3i h ASP 258 Cb 0.25 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2r3i h ASP 258 CO 0.01 0.58 -0.04 1.23 -1.72 0.00 0.00 179.24 179.29 2r3i h GLY 259 N 0.54 1.09 1.32 2.75 0.00 -1.65 -1.50 103.07 105.61 2r3i h GLY 259 Ca 0.14 -0.84 -0.08 0.00 0.00 0.00 0.00 47.33 46.55 2r3i h GLY 259 CO -0.01 0.77 -0.02 3.21 0.00 0.00 0.00 176.54 180.49 2r3i h ARG 260 N 0.89 0.83 0.01 4.80 3.08 -0.93 0.50 114.38 123.55 2r3i h ARG 260 Ca 0.15 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 2r3i h ARG 260 Cb 0.60 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2r3i h ARG 260 CO 0.04 0.84 -0.00 1.03 -1.07 0.00 0.00 179.97 180.81 2r3i h SER 261 N 0.77 -0.01 -0.47 7.04 0.87 -0.97 -1.03 113.55 119.74 2r3i h SER 261 Ca 0.14 -0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 2r3i h SER 261 Cb 0.49 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 2r3i h SER 261 CO 0.02 0.17 0.27 0.25 -0.53 0.00 0.00 176.83 177.01 2r3i h LEU 262 N -0.19 0.58 -1.00 2.23 5.85 -1.03 -2.41 115.31 119.34 2r3i h LEU 262 Ca -0.00 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.68 2r3i h LEU 262 Cb 0.18 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 2r3i h LEU 262 CO 0.00 0.49 0.66 0.25 -0.34 0.00 0.00 178.44 179.50 2r3i h LEU 263 N 0.62 1.11 -0.52 2.25 5.85 -0.78 -0.98 115.31 122.85 2r3i h LEU 263 Ca 0.17 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.88 2r3i h LEU 263 Cb 0.03 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 2r3i h LEU 263 CO -0.03 0.76 0.34 -1.28 -0.34 0.00 0.00 178.44 177.90 2r3i h SER 264 N 1.28 0.59 0.53 1.25 0.87 -0.80 -0.83 113.55 116.45 2r3i h SER 264 Ca 0.40 -0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.90 2r3i h SER 264 Cb -0.02 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 2r3i h SER 264 CO -0.12 0.42 -0.22 1.56 -0.53 0.00 0.00 176.83 177.94 2r3i h GLN 265 N 0.70 0.00 0.00 2.24 4.20 -0.86 -1.87 115.11 119.51 2r3i h GLN 265 Ca 0.20 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 2r3i h GLN 265 Cb -0.07 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 2r3i h GLN 265 CO -0.05 0.22 -0.16 0.52 -0.67 0.00 0.00 178.83 178.69 2r3i h MET 266 N 0.00 0.00 -0.36 1.46 2.86 -0.18 -1.19 114.93 117.52 2r3i h MET 266 Ca -0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2r3i h MET 266 Cb 0.55 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 2r3i h MET 266 CO 0.03 0.16 0.01 1.28 1.06 0.00 0.00 176.91 179.45 2r3i n LEU 267 N -3.15 4.45 -4.77 1.22 4.77 -0.42 -3.70 117.00 115.40 2r3i n LEU 267 Ca 0.03 -3.05 -0.41 0.00 -0.03 0.00 0.00 56.01 52.55 2r3i n LEU 267 Cb 0.58 -0.59 -0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2r3i n LEU 267 CO 0.36 0.70 1.09 -1.00 -1.33 0.00 0.00 177.39 177.20 2r3i s HIS 268 N -2.85 2.66 0.02 -1.77 3.76 -0.76 -4.92 115.29 111.42 2r3i s HIS 268 Ca 0.46 1.24 -0.25 0.00 -0.15 0.00 0.00 55.06 56.36 2r3i s HIS 268 Cb 0.37 -3.92 -0.18 0.00 1.11 0.00 0.00 32.58 29.95 2r3i s HIS 268 CO 0.10 -2.73 1.43 1.88 -0.85 0.00 0.00 174.74 174.57 2r3i h TYR 269 N 2.92 -0.04 -2.82 1.40 0.05 -1.90 -3.42 116.97 113.15 2r3i h TYR 269 Ca -0.50 -0.00 -0.57 0.00 0.05 0.00 0.00 58.73 57.70 2r3i h TYR 269 Cb 1.24 0.01 -0.03 0.00 1.01 0.00 0.00 36.73 38.97 2r3i h TYR 269 CO 0.53 0.26 1.17 0.34 -1.05 0.00 0.00 178.16 179.42 2r3i s ASP 270 N -5.45 6.19 0.51 3.88 -1.08 -1.26 -4.84 116.67 114.62 2r3i s ASP 270 Ca -0.15 1.36 0.16 0.00 -0.52 0.00 0.00 52.55 53.40 2r3i s ASP 270 Cb 0.03 -2.53 1.25 0.00 -1.46 0.00 0.00 42.92 40.22 2r3i s ASP 270 CO 0.66 -1.46 2.13 -0.65 0.52 0.00 0.00 175.17 176.37 2r3i h PRO 271 N 11.54 0.03 0.00 4.34 0.11 -1.96 -0.54 132.00 145.53 2r3i h PRO 271 Ca -0.33 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.72 2r3i h PRO 271 Cb 1.15 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2r3i h PRO 271 CO 1.03 0.02 -0.28 -0.97 -0.21 0.00 0.00 178.00 177.59 2r3i h ASN 272 N 0.03 0.00 0.18 -2.05 -1.24 -1.96 -3.15 115.58 107.40 2r3i h ASN 272 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.04 2r3i h ASN 272 Cb 0.07 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.12 2r3i h ASN 272 CO -0.00 0.28 -1.27 0.29 -1.29 0.00 0.00 177.43 175.43 2r3i n LYS 273 N -3.77 0.30 -1.71 6.67 4.76 -0.33 -4.95 118.16 119.12 2r3i n LYS 273 Ca -0.01 -0.05 -0.41 0.00 -2.87 0.00 0.00 58.31 54.97 2r3i n LYS 273 Cb 0.38 -1.54 0.02 0.00 -1.84 0.00 0.00 35.03 32.04 2r3i n LYS 273 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 2r3i n ARG 274 N -1.90 1.96 -1.97 1.97 0.63 -0.51 -4.90 116.66 111.94 2r3i n ARG 274 Ca 0.01 0.70 -0.39 0.00 -0.92 0.00 0.00 57.85 57.25 2r3i n ARG 274 Cb 0.44 -2.44 0.00 0.00 0.45 0.00 0.00 32.46 30.92 2r3i n ARG 274 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 2r3i s ILE 275 N -1.21 2.45 0.71 5.15 2.07 -0.45 -5.00 121.20 124.92 2r3i s ILE 275 Ca 0.62 0.39 -0.11 0.00 -1.41 0.00 0.00 60.65 60.14 2r3i s ILE 275 Cb -0.49 -3.23 0.02 0.00 0.13 0.00 0.00 42.46 38.89 2r3i s ILE 275 CO 0.57 0.05 1.10 -0.94 -1.91 0.00 0.00 174.94 173.81 2r3i s SER 276 N -0.73 5.40 0.19 4.50 1.04 -1.26 -4.89 113.70 117.95 2r3i s SER 276 Ca 0.60 1.13 -0.11 0.00 0.48 0.00 0.00 55.95 58.04 2r3i s SER 276 Cb -0.39 -1.92 0.11 0.00 0.10 0.00 0.00 66.02 63.92 2r3i s SER 276 CO 0.50 -1.37 1.80 0.00 0.98 0.00 0.00 173.24 175.15 2r3i h ALA 277 N -0.68 0.85 -0.47 5.32 0.00 -1.93 0.27 119.26 122.62 2r3i h ALA 277 Ca -0.45 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 2r3i h ALA 277 Cb 1.26 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2r3i h ALA 277 CO 0.64 0.37 0.27 -0.22 0.00 0.00 0.00 179.25 180.30 2r3i h LYS 278 N 0.91 0.65 -0.24 0.00 3.64 -1.93 -1.55 116.57 118.05 2r3i h LYS 278 Ca 0.23 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.43 2r3i h LYS 278 Cb 0.04 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 2r3i h LYS 278 CO -0.04 0.50 -0.35 0.00 -2.27 0.00 0.00 179.45 177.29 2r3i h ALA 279 N 1.12 0.96 -0.51 5.00 0.00 -1.88 -2.85 119.26 121.09 2r3i h ALA 279 Ca 0.17 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 2r3i h ALA 279 Cb 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2r3i h ALA 279 CO -0.03 0.61 0.21 0.00 0.00 0.00 0.00 179.25 180.04 2r3i h ALA 280 N 1.19 1.40 0.00 0.00 0.00 -0.52 -2.00 119.26 119.33 2r3i h ALA 280 Ca 0.05 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2r3i h ALA 280 Cb 0.81 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2r3i h ALA 280 CO 0.07 0.46 -0.01 -0.07 0.00 0.00 0.00 179.25 179.69 2r3i h LEU 281 N 0.73 0.00 -0.25 0.00 3.38 -1.05 -1.49 115.31 116.63 2r3i h LEU 281 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2r3i h LEU 281 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2r3i h LEU 281 CO -0.02 0.01 -0.21 0.00 0.09 0.00 0.00 178.44 178.31 2r3i n ALA 282 N -2.45 2.96 -1.75 1.53 0.00 -0.76 -4.80 120.51 115.23 2r3i n ALA 282 Ca -0.03 -0.31 -0.38 0.00 0.00 0.00 0.00 53.44 52.72 2r3i n ALA 282 Cb 0.09 -1.25 0.04 0.00 0.00 0.00 0.00 19.45 18.34 2r3i n ALA 282 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2r3i s HIS 283 N -2.62 2.33 0.62 0.00 5.04 -0.56 -4.89 115.29 115.21 2r3i s HIS 283 Ca 0.23 1.41 0.31 0.00 -1.54 0.00 0.00 55.06 55.47 2r3i s HIS 283 Cb 0.19 -3.72 1.71 0.00 0.04 0.00 0.00 32.58 30.80 2r3i s HIS 283 CO 0.53 -2.71 2.05 -1.35 -2.34 0.00 0.00 174.74 170.92 2r3i h PRO 284 N 1.38 0.00 -0.55 2.88 0.11 -1.92 -1.35 132.00 132.55 2r3i h PRO 284 Ca -0.51 0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.76 2r3i h PRO 284 Cb 1.30 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 2r3i h PRO 284 CO 0.57 0.00 0.39 0.35 -0.21 0.00 0.00 178.00 179.10 2r3i h PHE 285 N 0.00 0.03 -0.30 0.65 3.57 -1.90 -1.21 116.94 117.78 2r3i h PHE 285 Ca 0.08 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.58 2r3i h PHE 285 Cb 0.60 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.33 2r3i h PHE 285 CO 0.00 0.01 0.00 1.19 -2.23 0.00 0.00 178.31 177.28 2r3i n PHE 286 N -4.38 0.39 -0.33 0.41 3.72 -0.51 -4.38 117.46 112.38 2r3i n PHE 286 Ca 0.10 -0.20 0.06 0.00 -0.05 0.00 0.00 57.45 57.37 2r3i n PHE 286 Cb 0.61 0.00 0.22 0.00 -0.94 0.00 0.00 39.48 39.37 2r3i n PHE 286 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 2r3i h GLN 287 N 2.66 0.83 -0.54 -1.08 -0.00 -1.38 -2.16 115.11 113.44 2r3i h GLN 287 Ca 0.00 -0.05 -0.23 0.00 -0.00 0.00 0.00 58.65 58.37 2r3i h GLN 287 Cb 0.59 -0.19 -0.14 0.00 0.00 0.00 0.00 27.48 27.75 2r3i h GLN 287 CO 0.00 0.55 0.15 -0.40 0.00 0.00 0.00 178.83 179.13 2r3i n ASP 288 N -4.71 3.41 -4.76 -0.69 5.75 -1.26 -5.03 116.55 109.26 2r3i n ASP 288 Ca 0.18 -3.51 -0.38 0.00 -0.01 0.00 0.00 54.79 51.06 2r3i n ASP 288 Cb 0.37 -0.68 0.01 0.00 -1.03 0.00 0.00 41.12 39.79 2r3i n ASP 288 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2r3i s VAL 289 N -3.14 2.47 0.35 2.12 0.11 -0.81 -5.02 120.40 116.47 2r3i s VAL 289 Ca 0.49 0.37 0.07 0.00 -2.93 0.00 0.00 61.98 59.98 2r3i s VAL 289 Cb 0.42 -3.20 -0.03 0.00 -1.53 0.00 0.00 36.38 32.04 2r3i s VAL 289 CO 0.06 0.02 0.26 0.42 -3.33 0.00 0.00 175.10 172.53 2r3i s THR 290 N -1.34 0.08 -0.64 5.04 -4.23 -1.26 -5.10 115.64 108.20 2r3i s THR 290 Ca 0.64 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.20 2r3i s THR 290 Cb -0.37 -2.46 0.17 0.00 1.34 0.00 0.00 72.50 71.18 2r3i s THR 290 CO 0.46 0.00 0.48 1.17 -0.54 0.00 0.00 174.62 176.19 2r3i n LYS 291 N -0.69 1.50 -1.14 3.99 4.81 -1.26 -4.32 118.16 121.05 2r3i n LYS 291 Ca 0.05 -4.20 -0.31 0.00 -0.87 0.00 0.00 58.31 52.98 2r3i n LYS 291 Cb 0.63 -2.14 0.11 0.00 0.02 0.00 0.00 35.03 33.65 2r3i n LYS 291 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 2r3i s PRO 292 N -1.19 1.94 -0.22 1.64 0.02 -1.26 -4.97 135.00 130.96 2r3i s PRO 292 Ca 0.28 1.30 -0.09 0.00 0.02 0.00 0.00 61.00 62.50 2r3i s PRO 292 Cb -0.01 -1.85 -0.05 0.00 0.02 0.00 0.00 34.50 32.61 2r3i s PRO 292 CO -0.17 -1.90 0.13 0.08 -0.33 0.00 0.00 177.00 174.81 2r3i s VAL 293 N -2.78 5.14 0.58 3.83 1.01 -1.26 -4.43 120.40 122.49 2r3i s VAL 293 Ca 0.63 0.10 -0.12 0.00 0.00 0.00 0.00 61.98 62.59 2r3i s VAL 293 Cb -0.19 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 2r3i s VAL 293 CO 0.55 0.38 1.01 -2.16 0.00 0.00 0.00 175.10 174.88 2r3i s PRO 294 N 0.87 3.69 -0.44 2.72 0.04 -1.26 -5.00 135.00 135.63 2r3i s PRO 294 Ca 0.06 0.79 -0.20 0.00 0.04 0.00 0.00 61.00 61.69 2r3i s PRO 294 Cb -0.13 -2.11 0.03 0.00 0.04 0.00 0.00 34.50 32.33 2r3i s PRO 294 CO 0.03 -0.47 0.61 -1.58 0.04 0.00 0.00 177.00 175.63 2r3i s HIS 295 N -3.01 3.08 -0.14 0.56 2.46 -1.26 -4.93 115.29 112.05 2r3i s HIS 295 Ca 0.56 -0.13 -0.01 0.00 0.47 0.00 0.00 55.06 55.94 2r3i s HIS 295 Cb -0.11 -3.30 -0.02 0.00 -0.13 0.00 0.00 32.58 29.03 2r3i s HIS 295 CO 0.47 -0.86 -0.10 -0.51 -2.47 0.00 0.00 174.74 171.27 2r3i s LEU 296 N 2.71 2.86 -0.33 8.88 1.43 -1.26 -5.07 118.68 127.90 2r3i s LEU 296 Ca 0.21 -0.28 -0.05 0.00 -1.03 0.00 0.00 54.13 52.98 2r3i s LEU 296 Cb -0.15 -1.66 0.05 0.00 0.03 0.00 0.00 46.19 44.46 2r3i s LEU 296 CO 0.18 0.16 0.07 -0.60 0.23 0.00 0.00 176.35 176.39 2r3i s ARG 297 N 0.39 2.53 0.00 1.70 3.00 -1.26 -5.11 118.95 120.19 2r3i s ARG 297 Ca -0.09 -1.24 0.19 0.00 -1.00 0.00 0.00 55.73 53.59 2r3i s ARG 297 Cb -0.15 -3.37 0.15 0.00 0.00 0.00 0.00 34.95 31.58 2r3i s ARG 297 CO 0.05 -0.67 1.10 1.28 0.00 0.00 0.00 175.30 177.05