#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8i s LYS 2 N 0.00 0.94 0.11 0.03 1.02 -1.26 -5.04 119.74 115.54 3i8i s LYS 2 Ca 0.00 0.41 -0.25 0.00 0.02 0.00 0.00 55.97 56.15 3i8i s LYS 2 Cb 0.00 0.44 -0.07 0.00 -0.52 0.00 0.00 37.83 37.68 3i8i s LYS 2 CO 0.00 -0.25 1.66 -0.07 -0.92 0.00 0.00 175.35 175.78 3i8i h LEU 3 N 3.70 -0.54 -3.70 3.17 3.38 -2.08 0.07 115.31 119.31 3i8i h LEU 3 Ca -0.28 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 3i8i h LEU 3 Cb 1.15 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 3i8i h LEU 3 CO 0.30 -0.25 -0.04 -1.54 0.09 0.00 0.00 178.44 176.99 3i8i n SER 4 N -5.32 3.65 0.00 -0.43 3.41 -1.26 -2.03 113.62 111.64 3i8i n SER 4 Ca -0.05 -2.05 0.00 0.00 -0.26 0.00 0.00 58.87 56.51 3i8i n SER 4 Cb 0.23 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 3i8i n SER 4 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3i8i n ASP 5 N 2.05 0.00 0.00 4.04 2.03 0.00 -5.05 116.55 119.62 3i8i n ASP 5 Ca 0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.43 3i8i n ASP 5 Cb 0.46 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 3i8i n ASP 5 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3i8i n LEU 6 N 0.00 0.00 -1.52 -2.67 7.99 -0.86 -4.89 117.00 115.05 3i8i n LEU 6 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 3i8i n LEU 6 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 3i8i n LEU 6 CO 0.00 0.00 -0.41 -2.11 -1.51 0.00 0.00 177.39 173.36 3i8i n ARG 7 N 0.00 -3.53 -3.09 3.23 1.85 -1.26 -4.94 116.66 108.92 3i8i n ARG 7 Ca 0.00 2.73 -0.30 0.00 -1.00 0.00 0.00 57.85 59.28 3i8i n ARG 7 Cb 0.00 -3.47 -0.04 0.00 -1.05 0.00 0.00 32.46 27.90 3i8i n ARG 7 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 3i8i s PRO 8 N -5.07 3.75 0.01 2.89 0.02 -1.26 -5.09 135.00 130.25 3i8i s PRO 8 Ca 0.00 0.32 -0.12 0.00 0.02 0.00 0.00 61.00 61.22 3i8i s PRO 8 Cb 0.00 -2.50 -0.05 0.00 0.02 0.00 0.00 34.50 31.96 3i8i s PRO 8 CO 0.00 0.09 0.36 0.54 -0.33 0.00 0.00 177.00 177.66 3i8i s ASN 9 N -3.01 6.68 0.00 2.53 2.20 -1.26 -4.95 114.94 117.12 3i8i s ASN 9 Ca 0.49 0.82 0.00 0.00 -0.94 0.00 0.00 52.86 53.23 3i8i s ASN 9 Cb -0.10 -2.19 0.00 0.00 -2.00 0.00 0.00 41.25 36.95 3i8i s ASN 9 CO 0.29 0.29 0.00 -2.65 -2.94 0.00 0.00 177.10 172.08 3i8i n PRO 10 N 1.51 0.00 -2.41 3.55 -0.02 -1.26 -4.61 135.00 131.76 3i8i n PRO 10 Ca -0.13 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.00 3i8i n PRO 10 Cb 0.53 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.98 3i8i n PRO 10 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3i8i s GLY 11 N 0.00 2.66 0.00 -1.23 0.00 -1.26 -3.55 107.32 103.94 3i8i s GLY 11 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 44.72 45.48 3i8i s GLY 11 CO 0.00 1.15 0.00 0.00 0.00 0.00 0.00 173.10 174.25 3i8i n ALA 12 N -0.69 0.00 1.14 3.20 0.00 -1.26 -4.73 120.51 118.17 3i8i n ALA 12 Ca 0.08 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.60 3i8i n ALA 12 Cb 0.50 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.22 3i8i n ALA 12 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i8i n ASN 13 N 0.06 1.60 -0.24 0.00 5.15 -1.23 -3.21 115.26 117.39 3i8i n ASN 13 Ca 0.00 -1.84 0.17 0.00 -0.60 0.00 0.00 54.58 52.31 3i8i n ASN 13 Cb 0.00 -0.16 0.48 0.00 -0.53 0.00 0.00 39.78 39.57 3i8i n ASN 13 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 3i8i h LYS 14 N 1.92 0.46 0.00 1.20 3.11 -1.85 -3.25 116.57 118.16 3i8i h LYS 14 Ca 0.00 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 3i8i h LYS 14 Cb 0.43 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.56 3i8i h LYS 14 CO 0.00 0.31 0.00 -2.13 -2.81 0.00 0.00 179.45 174.82 3i8i n ARG 15 N -4.53 0.00 -0.02 1.90 3.00 -1.20 -4.34 116.66 111.47 3i8i n ARG 15 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.03 3i8i n ARG 15 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.09 3i8i n ARG 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3i8i n ARG 16 N 0.00 0.00 -0.34 -0.14 5.12 -1.23 -4.76 116.66 115.31 3i8i n ARG 16 Ca 0.00 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.80 3i8i n ARG 16 Cb 0.00 0.00 0.11 0.00 -1.16 0.00 0.00 32.46 31.41 3i8i n ARG 16 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3i8i n LYS 17 N -0.00 -2.23 0.00 5.56 5.02 -1.26 -5.07 118.16 120.18 3i8i n LYS 17 Ca 0.00 -0.69 0.00 0.00 -2.02 0.00 0.00 58.31 55.60 3i8i n LYS 17 Cb 0.00 -0.70 0.00 0.00 -0.02 0.00 0.00 35.03 34.31 3i8i n LYS 17 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3i8i n ARG 18 N -3.05 3.50 -1.47 1.97 1.74 -1.26 -5.14 116.66 112.94 3i8i n ARG 18 Ca 0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 3i8i n ARG 18 Cb 0.24 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.68 3i8i n ARG 18 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 3i8i n VAL 19 N 0.00 0.00 -2.49 1.55 3.14 -1.26 -5.02 118.33 114.25 3i8i n VAL 19 Ca 0.00 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.35 3i8i n VAL 19 Cb 0.00 0.00 0.07 0.00 -1.06 0.00 0.00 33.84 32.85 3i8i n VAL 19 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3i8i n GLY 20 N 0.00 1.31 0.00 7.55 0.00 -1.21 -4.88 105.19 107.95 3i8i n GLY 20 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3i8i n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8i n ARG 21 N -1.03 3.22 0.00 1.61 3.00 -1.13 -4.63 116.66 117.70 3i8i n ARG 21 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.67 3i8i n ARG 21 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.24 3i8i n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i8i n GLY 22 N 5.00 -2.85 3.95 -0.13 0.00 -1.26 -3.70 105.19 106.20 3i8i n GLY 22 Ca 0.00 -1.37 -0.24 0.00 0.00 0.00 0.00 46.02 44.41 3i8i n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i8i s PRO 23 N -2.80 2.51 -0.54 1.61 0.04 -1.26 -3.78 135.00 130.78 3i8i s PRO 23 Ca 0.00 -0.45 -0.13 0.00 0.04 0.00 0.00 61.00 60.47 3i8i s PRO 23 Cb 0.00 -2.34 0.02 0.00 0.04 0.00 0.00 34.50 32.21 3i8i s PRO 23 CO 0.00 -0.88 0.64 0.41 0.04 0.00 0.00 177.00 177.21 3i8i n GLY 24 N -2.58 -1.17 0.00 0.56 0.00 -1.26 -4.76 105.19 95.99 3i8i n GLY 24 Ca 0.07 0.99 0.00 0.00 0.00 0.00 0.00 46.02 47.08 3i8i n GLY 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i8i n SER 25 N -0.83 0.00 0.00 1.61 3.41 -1.26 -5.08 113.62 111.47 3i8i n SER 25 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 3i8i n SER 25 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 3i8i n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i8i n GLY 26 N 0.00 3.56 0.00 5.00 0.00 -1.26 -4.62 105.19 107.87 3i8i n GLY 26 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3i8i n GLY 26 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3i8i n HIS 27 N 14.00 0.00 -3.18 1.61 -0.00 -1.26 -4.72 115.22 121.67 3i8i n HIS 27 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3i8i n HIS 27 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 3i8i n HIS 27 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3i8i n GLY 28 N 0.00 3.88 5.79 -1.39 0.00 -1.25 -2.82 105.19 109.39 3i8i n GLY 28 Ca 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.90 3i8i n GLY 28 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i8i n LYS 29 N -0.29 0.00 0.06 1.61 4.81 -1.24 -1.33 118.16 121.78 3i8i n LYS 29 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.41 3i8i n LYS 29 Cb 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.04 3i8i n LYS 29 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 3i8i h THR 30 N 0.00 0.00 0.00 3.15 1.35 -1.93 -3.49 112.91 111.99 3i8i h THR 30 Ca 0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 3i8i h THR 30 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 3i8i h THR 30 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 3i8i n ALA 31 N -2.39 0.00 -1.03 6.62 0.00 -0.44 -4.69 120.51 118.58 3i8i n ALA 31 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.35 3i8i n ALA 31 Cb 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.50 3i8i n ALA 31 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3i8i n THR 32 N 0.00 0.00 -0.11 0.00 5.66 -1.26 -4.80 114.28 113.77 3i8i n THR 32 Ca 0.00 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.83 3i8i n THR 32 Cb 0.00 -1.06 -0.13 0.00 -1.55 0.00 0.00 70.33 67.59 3i8i n THR 32 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3i8i n ARG 33 N -0.32 0.67 -2.92 1.09 1.74 -1.26 -5.08 116.66 110.57 3i8i n ARG 33 Ca -0.06 0.14 -0.05 0.00 -0.77 0.00 0.00 57.85 57.11 3i8i n ARG 33 Cb 0.44 -1.54 0.02 0.00 -1.02 0.00 0.00 32.46 30.36 3i8i n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i8i n GLY 34 N 2.14 -1.04 5.14 -0.13 0.00 -1.26 -4.43 105.19 105.61 3i8i n GLY 34 Ca -0.42 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i8i n GLY 34 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i8i n HIS 35 N -2.17 0.00 0.00 1.61 8.25 -1.26 -4.85 115.22 116.80 3i8i n HIS 35 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3i8i n HIS 35 Cb 0.54 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.65 3i8i n HIS 35 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3i8i n LYS 36 N 0.00 0.00 -3.29 -0.41 4.76 -1.26 -4.84 118.16 113.12 3i8i n LYS 36 Ca 0.00 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.47 3i8i n LYS 36 Cb 0.00 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.16 3i8i n LYS 36 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3i8i s GLY 37 N 0.00 -0.38 0.00 0.72 0.00 -1.26 -4.90 107.32 101.50 3i8i s GLY 37 Ca 0.00 2.76 0.00 0.00 0.00 0.00 0.00 44.72 47.48 3i8i s GLY 37 CO 0.00 3.44 0.00 -0.18 0.00 0.00 0.00 173.10 176.36 3i8i n GLN 38 N 5.22 0.00 -0.01 2.90 7.27 -1.26 -4.48 117.38 127.02 3i8i n GLN 38 Ca -0.07 0.00 0.23 0.00 0.07 0.00 0.00 57.00 57.23 3i8i n GLN 38 Cb 0.53 0.00 0.72 0.00 2.41 0.00 0.00 30.24 33.89 3i8i n GLN 38 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 3i8i h LYS 39 N 0.00 0.00 -0.40 3.69 3.64 -1.96 5.56 116.57 127.10 3i8i h LYS 39 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3i8i h LYS 39 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3i8i h LYS 39 CO 0.00 0.00 0.00 -1.13 -2.27 0.00 0.00 179.45 176.05 3i8i n SER 40 N -3.86 1.32 -4.78 4.20 3.41 -1.26 -4.74 113.62 107.91 3i8i n SER 40 Ca 0.12 -2.07 -0.22 0.00 -0.26 0.00 0.00 58.87 56.44 3i8i n SER 40 Cb 0.79 -0.25 -0.05 0.00 -0.26 0.00 0.00 64.21 64.44 3i8i n SER 40 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3i8i s ARG 41 N -1.66 2.48 0.00 4.33 1.81 1.81 -4.88 118.95 122.84 3i8i s ARG 41 Ca 0.12 -1.50 0.00 0.00 -1.72 0.00 0.00 55.73 52.64 3i8i s ARG 41 Cb 0.07 -2.27 0.00 0.00 -0.45 0.00 0.00 34.95 32.31 3i8i s ARG 41 CO 0.07 0.06 0.95 0.45 -0.68 0.00 0.00 175.30 176.14 3i8i n SER 42 N -1.26 0.00 -0.36 0.23 2.88 -1.26 -1.68 113.62 112.17 3i8i n SER 42 Ca -0.02 0.95 0.37 0.00 -1.33 0.00 0.00 58.87 58.84 3i8i n SER 42 Cb 0.61 -0.45 0.72 0.00 -0.75 0.00 0.00 64.21 64.35 3i8i n SER 42 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3i8i h GLY 43 N 0.00 0.00 0.00 0.46 0.00 -1.97 -3.45 103.07 98.11 3i8i h GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i8i h GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3i8i n GLY 44 N -1.77 0.01 0.00 4.60 0.00 -0.68 -4.90 105.19 102.45 3i8i n GLY 44 Ca 0.28 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.28 3i8i n GLY 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i8i n LEU 45 N 0.00 0.00 -2.64 0.99 4.32 -1.26 -4.52 117.00 113.89 3i8i n LEU 45 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 55.91 3i8i n LEU 45 Cb 0.00 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 41.84 3i8i n LEU 45 CO 0.00 0.00 -0.00 1.17 -1.22 0.00 0.00 177.39 177.34 3i8i n LYS 46 N 0.00 1.95 -2.46 3.23 0.00 -1.26 -5.04 118.16 114.58 3i8i n LYS 46 Ca 0.00 -3.60 -0.00 0.00 0.00 0.00 0.00 58.31 54.70 3i8i n LYS 46 Cb 0.00 -1.64 -0.00 0.00 0.00 0.00 0.00 35.03 33.38 3i8i n LYS 46 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 3i8i n ASP 47 N -0.44 -6.20 0.08 3.14 4.64 -1.26 -4.33 116.55 112.18 3i8i n ASP 47 Ca 0.15 1.14 0.09 0.00 -1.38 0.00 0.00 54.79 54.79 3i8i n ASP 47 Cb 0.82 -4.46 0.39 0.00 -1.04 0.00 0.00 41.12 36.83 3i8i n ASP 47 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 3i8i n PRO 48 N 0.64 0.10 -0.04 -0.67 -0.02 -1.26 -1.58 135.00 132.18 3i8i n PRO 48 Ca -0.03 0.42 0.11 0.00 -2.02 0.00 0.00 63.50 61.98 3i8i n PRO 48 Cb 0.05 -1.73 0.49 0.00 -0.02 0.00 0.00 33.50 32.29 3i8i n PRO 48 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3i8i n ARG 49 N -1.93 1.42 0.01 -0.52 1.85 -1.26 -4.44 116.66 111.79 3i8i n ARG 49 Ca 0.02 -0.63 0.00 0.00 -1.00 0.00 0.00 57.85 56.24 3i8i n ARG 49 Cb 0.15 -1.37 0.00 0.00 -1.05 0.00 0.00 32.46 30.18 3i8i n ARG 49 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3i8i n ARG 50 N -0.17 0.00 -2.19 2.89 0.63 -1.02 -5.11 116.66 111.69 3i8i n ARG 50 Ca 0.16 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.69 3i8i n ARG 50 Cb 0.23 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.11 3i8i n ARG 50 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 3i8i s PHE 51 N -2.00 3.14 -0.11 -0.14 5.36 -0.61 -4.85 117.98 118.77 3i8i s PHE 51 Ca 0.00 1.48 0.16 0.00 -0.96 0.00 0.00 56.93 57.61 3i8i s PHE 51 Cb 0.00 -3.59 0.36 0.00 -0.34 0.00 0.00 43.02 39.45 3i8i s PHE 51 CO 0.00 -1.59 1.17 0.39 -1.46 0.00 0.00 175.22 173.73 3i8i n GLU 52 N 0.81 0.84 -0.45 10.12 1.02 -1.26 -4.74 120.64 126.98 3i8i n GLU 52 Ca 0.00 -2.53 0.00 0.00 -0.02 0.00 0.00 57.16 54.62 3i8i n GLU 52 Cb 0.43 -0.94 0.00 0.00 -0.02 0.00 0.00 31.44 30.91 3i8i n GLU 52 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i8i n GLY 53 N -0.50 0.75 0.66 0.62 0.00 -1.26 -3.45 105.19 102.02 3i8i n GLY 53 Ca 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3i8i n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8i n GLY 54 N -2.45 0.63 3.77 -0.02 0.00 -1.26 -5.03 105.19 100.83 3i8i n GLY 54 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3i8i n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i8i s ARG 55 N -0.78 4.56 -0.52 1.61 3.52 -1.22 -4.90 118.95 121.22 3i8i s ARG 55 Ca 0.00 1.57 -0.26 0.00 -0.13 0.00 0.00 55.73 56.90 3i8i s ARG 55 Cb 0.00 -2.97 -0.05 0.00 -1.56 0.00 0.00 34.95 30.37 3i8i s ARG 55 CO 0.00 0.21 2.25 -1.12 -0.81 0.00 0.00 175.30 175.83 3i8i s SER 56 N -1.26 4.70 0.23 -2.12 0.01 -1.26 -4.59 113.70 109.40 3i8i s SER 56 Ca 0.48 0.90 0.00 0.00 1.31 0.00 0.00 55.95 58.64 3i8i s SER 56 Cb -0.25 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.47 3i8i s SER 56 CO 0.32 -2.71 0.00 0.35 0.41 0.00 0.00 173.24 171.61 3i8i n THR 57 N 7.77 0.00 -2.17 1.44 -2.24 -1.26 -4.80 114.28 113.02 3i8i n THR 57 Ca 0.32 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.71 3i8i n THR 57 Cb 0.54 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.80 3i8i n THR 57 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3i8i n THR 58 N -1.36 4.16 -0.27 4.28 -1.04 -1.26 -2.85 114.28 115.93 3i8i n THR 58 Ca 0.00 -4.81 0.07 0.00 -2.04 0.00 0.00 64.05 57.26 3i8i n THR 58 Cb 0.00 -1.33 0.19 0.00 -1.82 0.00 0.00 70.33 67.37 3i8i n THR 58 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3i8i n LEU 59 N -0.40 3.18 -0.66 -4.42 0.00 -1.26 -4.17 117.00 109.27 3i8i n LEU 59 Ca 0.51 -2.09 0.13 0.00 0.00 0.00 0.00 56.01 54.55 3i8i n LEU 59 Cb 0.27 -0.30 0.38 0.00 0.00 0.00 0.00 43.42 43.77 3i8i n LEU 59 CO 0.50 0.76 0.78 0.80 0.00 0.00 0.00 177.39 180.23 3i8i n MET 60 N 0.59 1.89 0.09 1.96 1.56 -1.13 -4.26 117.12 117.82 3i8i n MET 60 Ca 0.14 -1.31 -0.22 0.00 -0.27 0.00 0.00 57.70 56.04 3i8i n MET 60 Cb 0.50 -1.46 -0.15 0.00 2.15 0.00 0.00 33.22 34.26 3i8i n MET 60 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3i8i h ARG 61 N 2.98 0.42 -0.16 2.12 3.08 -1.85 -3.51 114.38 117.45 3i8i h ARG 61 Ca 0.00 -0.69 0.00 0.00 0.07 0.00 0.00 59.98 59.36 3i8i h ARG 61 Cb 0.64 0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.95 3i8i h ARG 61 CO 0.00 1.33 0.00 1.47 -1.07 0.00 0.00 179.97 181.70 3i8i n LEU 62 N -3.95 -0.59 -4.87 3.04 -0.00 -1.26 -5.04 117.00 104.33 3i8i n LEU 62 Ca -0.15 0.00 -0.32 0.00 -0.00 0.00 0.00 56.01 55.54 3i8i n LEU 62 Cb 0.94 -0.03 -0.05 0.00 -0.00 0.00 0.00 43.42 44.27 3i8i n LEU 62 CO 0.54 0.00 0.31 -2.16 -0.00 0.00 0.00 177.39 176.08 3i8i s PRO 63 N -3.76 3.87 0.00 1.47 0.04 -1.26 -4.83 135.00 130.53 3i8i s PRO 63 Ca 0.00 0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.47 3i8i s PRO 63 Cb 0.00 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.99 3i8i s PRO 63 CO 0.00 0.23 0.00 1.17 0.04 0.00 0.00 177.00 178.44 3i8i n LYS 64 N -0.32 3.49 0.00 4.56 0.00 -1.26 -4.66 118.16 119.97 3i8i n LYS 64 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.33 3i8i n LYS 64 Cb 0.53 -0.29 0.00 0.00 0.00 0.00 0.00 35.03 35.27 3i8i n LYS 64 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3i8i n ARG 65 N 0.00 0.00 -0.34 1.64 0.63 -1.26 -4.68 116.66 112.65 3i8i n ARG 65 Ca 0.00 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.80 3i8i n ARG 65 Cb 0.00 -1.05 -0.02 0.00 0.45 0.00 0.00 32.46 31.85 3i8i n ARG 65 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i8i n GLY 66 N -0.46 -0.10 0.00 5.14 0.00 -1.26 -4.46 105.19 104.06 3i8i n GLY 66 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3i8i n GLY 66 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3i8i n MET 67 N 0.33 0.00 -0.01 1.61 0.00 -1.26 -5.07 117.12 112.72 3i8i n MET 67 Ca 0.05 0.00 0.09 0.00 -0.00 0.00 0.00 57.70 57.83 3i8i n MET 67 Cb 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 33.22 33.09 3i8i n MET 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 3i8i n GLN 68 N 0.00 0.63 0.00 2.12 3.00 -1.26 -5.10 117.38 116.76 3i8i n GLN 68 Ca 0.00 -0.17 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 3i8i n GLN 68 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 30.24 28.77 3i8i n GLN 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i8i n GLY 69 N 1.41 2.95 3.63 1.08 0.00 -1.26 -5.10 105.19 107.90 3i8i n GLY 69 Ca -0.05 -1.66 -0.28 0.00 0.00 0.00 0.00 46.02 44.03 3i8i n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i8i s GLN 70 N -4.42 2.30 0.08 1.61 1.11 -1.26 -5.01 119.66 114.08 3i8i s GLN 70 Ca 0.00 -1.09 0.03 0.00 0.01 0.00 0.00 55.36 54.30 3i8i s GLN 70 Cb 0.00 -2.33 0.25 0.00 -1.01 0.00 0.00 33.01 29.92 3i8i s GLN 70 CO 0.00 0.47 0.37 1.55 0.01 0.00 0.00 175.29 177.70 3i8i n VAL 71 N 0.14 -0.10 0.12 1.09 3.14 -1.26 0.66 118.33 122.13 3i8i n VAL 71 Ca -0.11 0.50 0.03 0.00 -2.96 0.00 0.00 64.34 61.81 3i8i n VAL 71 Cb 0.54 -0.78 0.41 0.00 -1.06 0.00 0.00 33.84 32.96 3i8i n VAL 71 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 3i8i h PRO 72 N 0.00 0.23 0.00 1.45 0.11 -2.05 -3.48 132.00 128.26 3i8i h PRO 72 Ca 0.17 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3i8i h PRO 72 Cb 0.41 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.49 3i8i h PRO 72 CO -0.20 0.34 0.00 0.41 -0.21 0.00 0.00 178.00 178.34 3i8i n GLY 73 N -0.97 0.70 3.71 -0.55 0.00 0.21 -5.04 105.19 103.25 3i8i n GLY 73 Ca -0.01 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 3i8i n GLY 73 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i8i s GLU 74 N -0.70 4.46 -0.27 1.61 2.12 -1.26 -4.38 118.70 120.28 3i8i s GLU 74 Ca 0.00 1.62 -0.29 0.00 0.36 0.00 0.00 54.97 56.65 3i8i s GLU 74 Cb 0.00 -3.44 0.00 0.00 0.26 0.00 0.00 34.13 30.96 3i8i s GLU 74 CO 0.00 -0.23 1.19 0.96 -0.54 0.00 0.00 175.26 176.64 3i8i s ILE 75 N 1.34 4.34 -0.28 -3.70 -0.00 -1.26 -4.95 121.20 116.69 3i8i s ILE 75 Ca 0.55 1.57 -0.28 0.00 -0.00 0.00 0.00 60.65 62.48 3i8i s ILE 75 Cb -0.25 -4.22 -0.03 0.00 -0.00 0.00 0.00 42.46 37.96 3i8i s ILE 75 CO 0.27 -0.37 1.89 -0.54 -0.00 0.00 0.00 174.94 176.19 3i8i s LYS 76 N 3.76 3.35 0.04 0.37 -0.14 -1.26 -4.98 119.74 120.88 3i8i s LYS 76 Ca 0.51 1.64 -0.02 0.00 -1.36 0.00 0.00 55.97 56.74 3i8i s LYS 76 Cb -0.16 -4.23 -0.03 0.00 -1.68 0.00 0.00 37.83 31.73 3i8i s LYS 76 CO 0.17 -1.84 -0.00 -0.98 -0.76 0.00 0.00 175.35 171.94 3i8i s ARG 77 N 5.71 0.53 0.22 1.68 1.70 -1.26 -5.13 118.95 122.39 3i8i s ARG 77 Ca 0.85 -0.96 -0.32 0.00 -0.47 0.00 0.00 55.73 54.83 3i8i s ARG 77 Cb -0.26 0.19 -0.13 0.00 -0.57 0.00 0.00 34.95 34.18 3i8i s ARG 77 CO 0.34 -0.10 1.46 -0.35 -1.08 0.00 0.00 175.30 175.57 3i8i n PRO 78 N 0.65 2.09 -4.61 3.89 -0.04 -1.26 -5.01 135.00 130.71 3i8i n PRO 78 Ca -0.18 0.75 -0.33 0.00 -0.04 0.00 0.00 63.50 63.70 3i8i n PRO 78 Cb 0.59 -2.44 -0.13 0.00 -0.04 0.00 0.00 33.50 31.48 3i8i n PRO 78 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3i8i s ARG 79 N -0.06 3.29 -0.04 0.54 0.52 -1.26 -5.03 118.95 116.90 3i8i s ARG 79 Ca 0.71 -0.59 0.01 0.00 -0.52 0.00 0.00 55.73 55.33 3i8i s ARG 79 Cb -0.65 -2.71 -0.03 0.00 0.52 0.00 0.00 34.95 32.08 3i8i s ARG 79 CO 0.46 0.36 -0.03 0.71 0.02 0.00 0.00 175.30 176.83 3i8i s TYR 80 N 0.01 3.04 -0.20 -0.53 2.02 -1.26 0.50 117.35 120.93 3i8i s TYR 80 Ca -0.02 0.08 0.01 0.00 -0.37 0.00 0.00 57.07 56.78 3i8i s TYR 80 Cb -0.14 -1.70 0.03 0.00 -0.40 0.00 0.00 41.96 39.75 3i8i s TYR 80 CO 0.03 0.42 -0.15 -1.14 -1.57 0.00 0.00 175.55 173.14 3i8i s GLN 81 N -1.16 2.54 0.44 -0.62 0.74 -0.84 -4.88 119.66 115.89 3i8i s GLN 81 Ca 0.16 -0.91 -0.23 0.00 0.05 0.00 0.00 55.36 54.43 3i8i s GLN 81 Cb -0.11 -2.55 -0.08 0.00 1.10 0.00 0.00 33.01 31.37 3i8i s GLN 81 CO 0.05 -0.34 1.11 0.20 -0.55 0.00 0.00 175.29 175.76 3i8i s GLY 82 N 1.30 2.72 -0.06 2.59 0.00 -1.26 -2.48 107.32 110.13 3i8i s GLY 82 Ca 0.01 0.80 -0.02 0.00 0.00 0.00 0.00 44.72 45.51 3i8i s GLY 82 CO -0.10 1.23 0.11 0.54 0.00 0.00 0.00 173.10 174.88 3i8i s VAL 83 N -1.65 -0.13 0.59 1.40 0.11 -0.86 -4.94 120.40 114.92 3i8i s VAL 83 Ca 0.62 0.29 -0.15 0.00 -2.93 0.00 0.00 61.98 59.82 3i8i s VAL 83 Cb -0.24 -0.20 -0.04 0.00 -1.53 0.00 0.00 36.38 34.36 3i8i s VAL 83 CO 0.30 0.12 1.04 0.20 -3.33 0.00 0.00 175.10 173.43 3i8i s ASN 84 N 1.70 5.99 0.07 3.54 0.02 -1.23 -0.40 114.94 124.64 3i8i s ASN 84 Ca -0.02 1.67 -0.30 0.00 -1.02 0.00 0.00 52.86 53.19 3i8i s ASN 84 Cb -0.12 -2.51 -0.18 0.00 0.02 0.00 0.00 41.25 38.46 3i8i s ASN 84 CO -0.05 -1.03 1.63 -0.07 0.02 0.00 0.00 177.10 177.60 3i8i h LEU 85 N 0.28 -0.52 -1.52 0.60 3.38 -1.35 0.61 115.31 116.79 3i8i h LEU 85 Ca -0.46 0.00 0.37 0.00 0.09 0.00 0.00 57.88 57.88 3i8i h LEU 85 Cb 1.21 0.14 -0.10 0.00 0.09 0.00 0.00 40.66 41.99 3i8i h LEU 85 CO 0.59 -0.35 0.82 0.07 0.09 0.00 0.00 178.44 179.66 3i8i h LYS 86 N -0.65 0.17 0.38 1.13 2.10 -1.64 1.05 116.57 119.13 3i8i h LYS 86 Ca -0.06 -0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 58.56 3i8i h LYS 86 Cb 0.49 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 3i8i h LYS 86 CO 0.10 0.11 -0.18 -0.44 -2.00 0.00 0.00 179.45 177.04 3i8i h ASP 87 N 0.18 -0.44 0.47 7.07 3.32 -1.40 -3.25 116.42 122.38 3i8i h ASP 87 Ca 0.71 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.71 3i8i h ASP 87 Cb 2.22 0.11 0.00 0.00 0.22 0.00 0.00 39.33 41.89 3i8i h ASP 87 CO -0.29 0.01 0.00 0.00 -1.72 0.00 0.00 179.24 177.24 3i8i n LEU 88 N -5.12 0.05 0.27 1.55 -0.00 0.26 -2.36 117.00 111.64 3i8i n LEU 88 Ca -0.07 0.51 0.18 0.00 -0.00 0.00 0.00 56.01 56.63 3i8i n LEU 88 Cb 0.24 -0.51 0.95 0.00 -0.00 0.00 0.00 43.42 44.10 3i8i n LEU 88 CO 0.19 -0.29 1.05 0.00 -0.00 0.00 0.00 177.39 178.34 3i8i h ALA 89 N 2.44 1.00 -1.79 1.47 0.00 0.99 -3.21 119.26 120.17 3i8i h ALA 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i8i h ALA 89 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3i8i h ALA 89 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 179.25 177.12 3i8i n ARG 90 N -2.82 0.00 -2.96 0.00 0.00 -0.99 -4.55 116.66 105.34 3i8i n ARG 90 Ca -0.02 0.67 -0.34 0.00 -0.00 0.00 0.00 57.85 58.16 3i8i n ARG 90 Cb 0.10 -1.20 -0.06 0.00 0.00 0.00 0.00 32.46 31.30 3i8i n ARG 90 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.63 177.04 3i8i s PHE 91 N -1.81 3.46 -0.63 -0.14 -0.71 -1.21 -4.98 117.98 111.96 3i8i s PHE 91 Ca 0.00 1.48 0.16 0.00 -1.04 0.00 0.00 56.93 57.53 3i8i s PHE 91 Cb 0.00 -2.72 0.58 0.00 -1.21 0.00 0.00 43.02 39.67 3i8i s PHE 91 CO 0.00 0.09 1.49 -1.91 -1.34 0.00 0.00 175.22 173.56 3i8i n GLU 92 N -0.08 3.42 0.00 1.99 2.13 -1.26 -4.90 120.64 121.94 3i8i n GLU 92 Ca 0.03 -2.74 0.00 0.00 0.66 0.00 0.00 57.16 55.11 3i8i n GLU 92 Cb 0.52 -1.80 0.00 0.00 0.27 0.00 0.00 31.44 30.44 3i8i n GLU 92 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i8i n GLY 93 N 0.34 -1.31 0.00 8.31 0.00 -1.26 -4.99 105.19 106.28 3i8i n GLY 93 Ca 0.22 -0.16 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 3i8i n GLY 93 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i8i n GLU 94 N 0.00 3.09 -0.98 1.61 0.28 -1.26 -4.65 120.64 118.72 3i8i n GLU 94 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 3i8i n GLU 94 Cb 0.00 -1.02 0.00 0.00 1.43 0.00 0.00 31.44 31.85 3i8i n GLU 94 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 3i8i n VAL 95 N -2.13 -5.45 -3.49 3.84 0.31 -1.26 -3.45 118.33 106.70 3i8i n VAL 95 Ca -0.02 1.20 -0.12 0.00 -0.01 0.00 0.00 64.34 65.40 3i8i n VAL 95 Cb 0.53 -2.98 -0.03 0.00 -0.91 0.00 0.00 33.84 30.45 3i8i n VAL 95 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3i8i s THR 96 N -0.47 0.00 1.24 2.52 -4.23 -1.26 -2.94 115.64 110.50 3i8i s THR 96 Ca 0.00 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.36 3i8i s THR 96 Cb 0.00 -1.00 0.30 0.00 1.34 0.00 0.00 72.50 73.14 3i8i s THR 96 CO 0.00 0.00 0.86 -2.65 -0.54 0.00 0.00 174.62 172.29 3i8i n PRO 97 N 0.07 -2.94 0.00 3.99 -0.02 -1.26 -1.84 135.00 133.01 3i8i n PRO 97 Ca -0.13 -0.84 0.00 0.00 -2.02 0.00 0.00 63.50 60.51 3i8i n PRO 97 Cb 0.61 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 3i8i n PRO 97 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3i8i n GLU 98 N -4.80 0.00 -0.06 -0.52 2.13 -1.26 -4.30 120.64 111.83 3i8i n GLU 98 Ca 0.04 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.76 3i8i n GLU 98 Cb 0.56 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.23 3i8i n GLU 98 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3i8i h LEU 99 N 0.00 0.26 0.18 4.31 5.85 -1.79 0.81 115.31 124.93 3i8i h LEU 99 Ca 0.00 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3i8i h LEU 99 Cb 0.00 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.97 3i8i h LEU 99 CO 0.00 0.23 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.18 3i8i h LEU 100 N 0.27 -0.20 -1.28 2.25 -0.00 -1.55 -2.68 115.31 112.12 3i8i h LEU 100 Ca 0.08 -0.11 0.23 0.00 -0.00 0.00 0.00 57.88 58.07 3i8i h LEU 100 Cb 0.02 0.05 -0.09 0.00 -0.00 0.00 0.00 40.66 40.64 3i8i h LEU 100 CO -0.01 -0.01 0.63 1.62 -0.00 0.00 0.00 178.44 180.67 3i8i h VAL 101 N -0.39 0.62 0.00 1.22 3.04 -1.42 0.85 116.25 120.17 3i8i h VAL 101 Ca -0.02 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 3i8i h VAL 101 Cb 0.30 0.06 0.00 0.00 -2.01 0.00 0.00 31.29 29.64 3i8i h VAL 101 CO 0.04 0.09 0.00 0.03 -1.01 0.00 0.00 177.57 176.72 3i8i h ARG 102 N 0.52 0.00 -0.02 4.17 3.08 -0.52 -2.94 114.38 118.68 3i8i h ARG 102 Ca 0.56 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.61 3i8i h ARG 102 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 3i8i h ARG 102 CO -0.30 0.00 -0.10 0.00 -1.07 0.00 0.00 179.97 178.50 3i8i n ALA 103 N -1.96 2.75 -0.13 0.04 0.00 0.29 -4.93 120.51 116.56 3i8i n ALA 103 Ca 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.93 3i8i n ALA 103 Cb 0.28 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.70 3i8i n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8i n GLY 104 N 1.28 0.59 2.94 0.00 0.00 -1.11 -5.04 105.19 103.84 3i8i n GLY 104 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3i8i n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i8i s LEU 105 N 0.00 2.46 0.00 0.99 1.02 -1.17 -4.86 118.68 117.12 3i8i s LEU 105 Ca 0.00 -1.12 0.00 0.00 0.02 0.00 0.00 54.13 53.03 3i8i s LEU 105 Cb 0.00 -1.15 0.00 0.00 0.02 0.00 0.00 46.19 45.06 3i8i s LEU 105 CO 0.00 -0.23 0.00 -0.11 0.02 0.00 0.00 176.35 176.03 3i8i n LEU 106 N 4.69 0.00 0.00 1.79 0.00 -1.26 -3.06 117.00 119.16 3i8i n LEU 106 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.89 3i8i n LEU 106 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.86 3i8i n LEU 106 CO 0.18 0.00 0.00 0.29 0.00 0.00 0.00 177.39 177.86 3i8i n LYS 107 N 0.00 0.00 0.00 1.96 4.01 -1.26 -4.70 118.16 118.17 3i8i n LYS 107 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3i8i n LYS 107 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 3i8i n LYS 107 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 3i8i n LYS 108 N -1.74 0.00 -0.01 1.97 4.01 -1.26 -4.14 118.16 116.99 3i8i n LYS 108 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3i8i n LYS 108 Cb 0.00 -0.68 0.00 0.00 -0.51 0.00 0.00 35.03 33.84 3i8i n LYS 108 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3i8i n GLY 109 N 1.21 0.29 3.18 0.72 0.00 -1.26 -4.72 105.19 104.61 3i8i n GLY 109 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3i8i n GLY 109 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i8i s TYR 110 N 1.47 1.96 -0.17 1.61 2.02 -1.26 -4.60 117.35 118.39 3i8i s TYR 110 Ca 0.00 -0.57 -0.24 0.00 -0.37 0.00 0.00 57.07 55.89 3i8i s TYR 110 Cb 0.00 -1.30 -0.02 0.00 -0.40 0.00 0.00 41.96 40.24 3i8i s TYR 110 CO 0.00 -0.18 0.78 1.03 -1.57 0.00 0.00 175.55 175.61 3i8i s ARG 111 N -0.03 4.29 0.15 -0.62 0.52 0.18 -4.85 118.95 118.60 3i8i s ARG 111 Ca -0.04 0.93 -0.31 0.00 -0.52 0.00 0.00 55.73 55.79 3i8i s ARG 111 Cb -0.12 -3.57 -0.10 0.00 0.52 0.00 0.00 34.95 31.68 3i8i s ARG 111 CO 0.03 -0.28 1.59 -1.17 0.02 0.00 0.00 175.30 175.48 3i8i s LEU 112 N 2.01 4.37 -0.32 2.53 1.98 -1.26 -1.98 118.68 126.01 3i8i s LEU 112 Ca 0.36 2.61 -0.01 0.00 -2.89 0.00 0.00 54.13 54.20 3i8i s LEU 112 Cb -0.16 -3.59 0.11 0.00 0.66 0.00 0.00 46.19 43.21 3i8i s LEU 112 CO 0.12 -0.84 0.14 -0.75 -1.89 0.00 0.00 176.35 173.14 3i8i s LYS 113 N 1.33 0.57 0.52 1.98 2.20 -1.04 -0.31 119.74 125.01 3i8i s LYS 113 Ca 0.71 -1.03 -0.19 0.00 -0.36 0.00 0.00 55.97 55.10 3i8i s LYS 113 Cb -0.43 -1.64 -0.07 0.00 -1.51 0.00 0.00 37.83 34.18 3i8i s LYS 113 CO 0.31 -1.05 1.04 0.96 -0.36 0.00 0.00 175.35 176.26 3i8i s ILE 114 N 1.56 3.81 -0.12 5.43 -4.36 -0.81 -2.03 121.20 124.68 3i8i s ILE 114 Ca 0.12 1.02 0.00 0.00 -0.26 0.00 0.00 60.65 61.53 3i8i s ILE 114 Cb -0.19 -3.43 0.00 0.00 1.25 0.00 0.00 42.46 40.09 3i8i s ILE 114 CO -0.22 -0.34 0.00 0.00 0.24 0.00 0.00 174.94 174.61 3i8i n LEU 115 N -1.35 0.00 0.00 0.37 -0.00 0.47 -2.88 117.00 113.61 3i8i n LEU 115 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.10 3i8i n LEU 115 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.95 3i8i n LEU 115 CO 0.42 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.42 3i8i n GLY 116 N -0.02 -0.36 3.93 1.47 0.00 -1.26 -2.76 105.19 106.19 3i8i n GLY 116 Ca 0.00 -1.20 -0.25 0.00 0.00 0.00 0.00 46.02 44.57 3i8i n GLY 116 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i8i s GLU 117 N 0.00 3.21 0.00 1.61 -1.05 -1.26 -4.65 118.70 116.56 3i8i s GLU 117 Ca 0.00 -0.22 0.00 0.00 -0.15 0.00 0.00 54.97 54.60 3i8i s GLU 117 Cb 0.00 -2.48 0.00 0.00 -0.44 0.00 0.00 34.13 31.21 3i8i s GLU 117 CO 0.00 -0.27 0.00 0.41 0.95 0.00 0.00 175.26 176.35 3i8i n GLY 118 N -2.16 0.55 3.51 -3.83 0.00 -1.26 -1.84 105.19 100.16 3i8i n GLY 118 Ca 0.01 -2.17 -0.36 0.00 0.00 0.00 0.00 46.02 43.50 3i8i n GLY 118 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i8i s GLU 119 N -0.75 3.75 -0.94 1.61 0.41 -1.26 -4.70 118.70 116.82 3i8i s GLU 119 Ca 0.00 -0.44 -0.24 0.00 -0.41 0.00 0.00 54.97 53.88 3i8i s GLU 119 Cb 0.00 -3.26 -0.21 0.00 -1.78 0.00 0.00 34.13 28.88 3i8i s GLU 119 CO 0.00 -0.02 2.04 0.00 -0.49 0.00 0.00 175.26 176.79 3i8i n ALA 120 N 4.41 0.24 -1.72 5.21 0.00 -1.26 -4.69 120.51 122.70 3i8i n ALA 120 Ca -0.16 -1.99 -0.42 0.00 0.00 0.00 0.00 53.44 50.87 3i8i n ALA 120 Cb 0.52 -3.03 -0.03 0.00 0.00 0.00 0.00 19.45 16.91 3i8i n ALA 120 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i8i n LYS 121 N 7.79 2.77 -1.26 0.00 3.00 -1.26 -4.69 118.16 124.52 3i8i n LYS 121 Ca 0.38 1.00 -0.33 0.00 -0.00 0.00 0.00 58.31 59.35 3i8i n LYS 121 Cb 0.46 -2.83 -0.09 0.00 0.00 0.00 0.00 35.03 32.57 3i8i n LYS 121 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 3i8i n PRO 122 N 3.63 0.73 -3.98 1.64 -0.04 -1.26 -4.56 135.00 131.16 3i8i n PRO 122 Ca 0.15 -1.70 -0.12 0.00 -0.04 0.00 0.00 63.50 61.79 3i8i n PRO 122 Cb 0.35 -3.23 -0.02 0.00 -0.04 0.00 0.00 33.50 30.57 3i8i n PRO 122 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 3i8i s LEU 123 N 6.99 0.61 0.67 1.53 0.05 -1.24 -4.67 118.68 122.63 3i8i s LEU 123 Ca 0.69 -1.34 -0.14 0.00 0.05 0.00 0.00 54.13 53.39 3i8i s LEU 123 Cb 0.07 2.02 0.00 0.00 -2.05 0.00 0.00 46.19 46.23 3i8i s LEU 123 CO 0.21 -1.45 1.10 -0.75 -0.55 0.00 0.00 176.35 174.91 3i8i s LYS 124 N -2.78 2.78 -0.36 1.48 2.20 -1.26 0.73 119.74 122.52 3i8i s LYS 124 Ca 0.24 1.31 0.02 0.00 -0.36 0.00 0.00 55.97 57.18 3i8i s LYS 124 Cb -0.02 -1.95 0.19 0.00 -1.51 0.00 0.00 37.83 34.53 3i8i s LYS 124 CO 0.17 -1.25 0.76 0.54 -0.36 0.00 0.00 175.35 175.21 3i8i s VAL 125 N -2.48 -0.74 -0.29 4.02 0.11 -1.22 -4.36 120.40 115.45 3i8i s VAL 125 Ca 0.65 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.42 3i8i s VAL 125 Cb -0.19 -0.15 0.01 0.00 -1.53 0.00 0.00 36.38 34.52 3i8i s VAL 125 CO 0.44 0.00 1.04 -0.69 -3.33 0.00 0.00 175.10 172.56 3i8i s VAL 126 N 2.09 4.59 0.10 2.04 1.01 -1.15 -2.94 120.40 126.13 3i8i s VAL 126 Ca 0.16 1.81 -0.05 0.00 0.00 0.00 0.00 61.98 63.89 3i8i s VAL 126 Cb -0.03 -4.36 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 3i8i s VAL 126 CO -0.13 -0.36 0.12 0.00 0.00 0.00 0.00 175.10 174.74 3i8i s ALA 127 N 3.44 0.20 -0.10 5.51 0.00 0.11 -4.08 121.76 126.86 3i8i s ALA 127 Ca 0.44 -0.97 0.13 0.00 0.00 0.00 0.00 51.96 51.56 3i8i s ALA 127 Cb -0.13 0.54 0.01 0.00 0.00 0.00 0.00 23.12 23.54 3i8i s ALA 127 CO 0.12 -0.49 1.41 0.45 0.00 0.00 0.00 175.76 177.25 3i8i h HIS 128 N 2.85 0.00 -2.30 0.00 3.86 -0.95 0.24 115.15 118.85 3i8i h HIS 128 Ca -0.34 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 58.80 3i8i h HIS 128 Cb 1.19 0.00 -0.20 0.00 1.06 0.00 0.00 27.41 29.46 3i8i h HIS 128 CO 0.45 0.60 0.04 0.00 0.86 0.00 0.00 177.93 179.89 3i8i s ALA 129 N -2.91 -1.48 -0.04 2.45 0.00 -0.88 -4.59 121.76 114.31 3i8i s ALA 129 Ca 0.03 1.11 0.04 0.00 0.00 0.00 0.00 51.96 53.15 3i8i s ALA 129 Cb 0.08 -0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.09 3i8i s ALA 129 CO 0.76 -0.33 -0.17 -0.06 0.00 0.00 0.00 175.76 175.96 3i8i s PHE 130 N -1.04 1.71 0.68 0.00 0.08 -1.26 -1.92 117.98 116.24 3i8i s PHE 130 Ca -0.10 -0.47 -0.15 0.00 0.12 0.00 0.00 56.93 56.32 3i8i s PHE 130 Cb -0.02 -1.15 0.01 0.00 -0.57 0.00 0.00 43.02 41.30 3i8i s PHE 130 CO 0.07 -0.15 1.14 0.45 -0.10 0.00 0.00 175.22 176.63 3i8i s SER 131 N -0.02 4.83 0.17 1.36 0.15 -1.14 -4.76 113.70 114.28 3i8i s SER 131 Ca -0.03 2.12 -0.25 0.00 0.70 0.00 0.00 55.95 58.49 3i8i s SER 131 Cb -0.11 -2.56 0.04 0.00 -1.71 0.00 0.00 66.02 61.68 3i8i s SER 131 CO 0.02 -1.82 1.58 0.50 1.20 0.00 0.00 173.24 174.71 3i8i h LYS 132 N -0.04 -0.25 -0.12 5.44 3.11 -2.00 0.17 116.57 122.87 3i8i h LYS 132 Ca -0.47 0.02 -0.08 0.00 -2.81 0.00 0.00 60.65 57.31 3i8i h LYS 132 Cb 1.26 0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 32.54 3i8i h LYS 132 CO 0.53 -0.17 -0.29 1.03 -2.81 0.00 0.00 179.45 177.74 3i8i h SER 133 N -0.26 0.22 0.22 4.20 0.87 -1.95 -3.17 113.55 113.68 3i8i h SER 133 Ca 0.17 -0.07 0.01 0.00 -1.23 0.00 0.00 61.79 60.66 3i8i h SER 133 Cb 0.57 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 3i8i h SER 133 CO -0.62 0.52 -0.24 0.00 -0.53 0.00 0.00 176.83 175.96 3i8i h ALA 134 N 1.50 -0.47 0.05 6.23 0.00 -0.98 -2.07 119.26 123.53 3i8i h ALA 134 Ca 0.03 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3i8i h ALA 134 Cb 0.62 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3i8i h ALA 134 CO 0.05 -0.80 -0.04 1.25 0.00 0.00 0.00 179.25 179.70 3i8i h LEU 135 N -0.49 -0.12 -0.03 0.00 7.12 -1.34 -3.04 115.31 117.41 3i8i h LEU 135 Ca 0.00 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.02 3i8i h LEU 135 Cb 0.47 0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 40.63 3i8i h LEU 135 CO -0.07 -0.06 -0.02 -0.62 -0.13 0.00 0.00 178.44 177.54 3i8i n GLU 136 N -2.48 -0.01 0.03 1.25 -0.58 -1.17 0.65 120.64 118.33 3i8i n GLU 136 Ca -0.01 0.10 -0.03 0.00 -0.42 0.00 0.00 57.16 56.80 3i8i n GLU 136 Cb 0.04 -0.14 -0.02 0.00 -0.57 0.00 0.00 31.44 30.75 3i8i n GLU 136 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3i8i h LYS 137 N 0.00 -0.14 0.00 3.49 1.57 -1.33 -2.75 116.57 117.41 3i8i h LYS 137 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3i8i h LYS 137 Cb 0.01 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3i8i h LYS 137 CO -0.03 -0.09 0.00 1.37 -0.57 0.00 0.00 179.45 180.13 3i8i h LEU 138 N -0.14 0.00 -3.13 2.94 8.10 -1.21 -2.84 115.31 119.03 3i8i h LEU 138 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 3i8i h LEU 138 Cb 0.13 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.35 3i8i h LEU 138 CO -0.04 0.00 0.00 1.17 -4.11 0.00 0.00 178.44 175.46 3i8i n LYS 139 N -2.82 0.57 -2.75 0.17 4.81 0.21 -0.76 118.16 117.59 3i8i n LYS 139 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 3i8i n LYS 139 Cb 0.23 -1.21 0.08 0.00 0.02 0.00 0.00 35.03 34.14 3i8i n LYS 139 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i8i n ALA 140 N 1.50 -0.78 0.00 3.14 0.00 -1.07 -4.92 120.51 118.38 3i8i n ALA 140 Ca 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 53.44 51.92 3i8i n ALA 140 Cb 0.29 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3i8i n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i8i n ALA 141 N 0.56 0.00 -4.16 0.00 0.00 -1.03 -4.88 120.51 111.01 3i8i n ALA 141 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.32 3i8i n ALA 141 Cb 0.69 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.08 3i8i n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8i n GLY 142 N 0.00 3.44 3.94 0.00 0.00 0.06 -3.59 105.19 109.05 3i8i n GLY 142 Ca 0.00 -2.03 -0.29 0.00 0.00 0.00 0.00 46.02 43.70 3i8i n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i8i s GLY 143 N -2.80 1.77 -0.31 -0.02 0.00 0.22 -4.67 107.32 101.52 3i8i s GLY 143 Ca 0.17 -1.27 0.17 0.00 0.00 0.00 0.00 44.72 43.79 3i8i s GLY 143 CO 0.12 -0.54 1.29 1.18 0.00 0.00 0.00 173.10 175.14 3i8i n GLU 144 N -3.60 1.48 -1.65 2.90 1.02 -1.26 -4.34 120.64 115.19 3i8i n GLU 144 Ca 0.15 -2.43 -0.43 0.00 -0.02 0.00 0.00 57.16 54.43 3i8i n GLU 144 Cb 0.60 -0.63 -0.03 0.00 -0.02 0.00 0.00 31.44 31.35 3i8i n GLU 144 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3i8i n PRO 145 N -0.92 2.57 -3.33 3.49 -0.02 -1.15 -4.93 135.00 130.70 3i8i n PRO 145 Ca -0.03 0.90 -0.39 0.00 -2.02 0.00 0.00 63.50 61.96 3i8i n PRO 145 Cb 0.84 -2.99 -0.07 0.00 -0.02 0.00 0.00 33.50 31.25 3i8i n PRO 145 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i8i s VAL 146 N 5.23 5.16 0.00 -1.45 0.11 -1.26 -0.71 120.40 127.48 3i8i s VAL 146 Ca 0.92 0.79 0.00 0.00 -2.93 0.00 0.00 61.98 60.76 3i8i s VAL 146 Cb -0.46 -3.77 0.00 0.00 -1.53 0.00 0.00 36.38 30.62 3i8i s VAL 146 CO 0.42 0.21 0.00 0.18 -3.33 0.00 0.00 175.10 172.58 3i8i n LEU 147 N 4.70 0.00 0.00 2.54 7.99 0.83 -4.90 117.00 128.15 3i8i n LEU 147 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.93 3i8i n LEU 147 Cb 0.51 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.82 3i8i n LEU 147 CO 0.40 -0.67 0.00 0.18 -1.51 0.00 0.00 177.39 175.80 3i8i n LEU 148 N 0.00 0.00 0.00 2.23 4.77 -1.26 -4.95 117.00 117.78 3i8i n LEU 148 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3i8i n LEU 148 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3i8i n LEU 148 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.44 3i8i n GLU 149 N 1.69 0.00 -0.64 3.23 1.02 -1.26 -5.21 120.64 119.47 3i8i n GLU 149 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3i8i n GLU 149 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3i8i n GLU 149 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31