#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lav s LEU 2 N 0.00 4.52 0.02 -0.89 1.43 -1.26 -4.96 118.68 117.53 1lav s LEU 2 Ca 0.00 2.15 0.29 0.00 -1.03 0.00 0.00 54.13 55.54 1lav s LEU 2 Cb 0.00 -3.61 1.21 0.00 0.03 0.00 0.00 46.19 43.81 1lav s LEU 2 CO 0.00 -0.17 1.92 0.29 0.23 0.00 0.00 176.35 178.61 1lav n LYS 3 N 1.90 0.02 -4.16 1.70 4.76 -1.26 -4.81 118.16 116.31 1lav n LYS 3 Ca 0.01 0.02 -0.16 0.00 -2.87 0.00 0.00 58.31 55.31 1lav n LYS 3 Cb 0.46 -1.52 -0.11 0.00 -1.84 0.00 0.00 35.03 32.01 1lav n LYS 3 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1lav s GLN 4 N -3.01 0.79 -0.08 1.97 0.74 -1.26 -4.95 119.66 113.86 1lav s GLN 4 Ca 0.14 -1.03 -0.28 0.00 0.05 0.00 0.00 55.36 54.24 1lav s GLN 4 Cb 0.19 -0.61 -0.02 0.00 1.10 0.00 0.00 33.01 33.66 1lav s GLN 4 CO 0.54 0.11 0.92 0.08 -0.55 0.00 0.00 175.29 176.39 1lav s VAL 5 N -1.86 4.87 -0.16 1.34 1.01 0.15 -4.96 120.40 120.79 1lav s VAL 5 Ca 0.01 1.89 -0.02 0.00 0.00 0.00 0.00 61.98 63.85 1lav s VAL 5 Cb -0.07 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 1lav s VAL 5 CO 0.01 0.10 -0.09 -1.61 0.00 0.00 0.00 175.10 173.51 1lav s GLU 6 N 1.53 3.46 -0.03 2.72 2.02 -0.98 -1.53 118.70 125.89 1lav s GLU 6 Ca 0.46 -0.63 0.05 0.00 0.02 0.00 0.00 54.97 54.88 1lav s GLU 6 Cb -0.19 -2.79 -0.01 0.00 0.10 0.00 0.00 34.13 31.24 1lav s GLU 6 CO 0.20 0.13 -0.18 0.42 0.02 0.00 0.00 175.26 175.85 1lav s ILE 7 N 0.60 1.49 -0.04 -1.63 1.01 -0.84 0.11 121.20 121.91 1lav s ILE 7 Ca -0.05 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 59.85 1lav s ILE 7 Cb -0.15 -1.26 0.01 0.00 0.01 0.00 0.00 42.46 41.06 1lav s ILE 7 CO 0.03 0.43 -0.11 -0.36 0.00 0.00 0.00 174.94 174.92 1lav s PHE 8 N -0.20 1.20 0.03 3.97 0.40 -0.66 0.39 117.98 123.10 1lav s PHE 8 Ca 0.01 -0.35 -0.02 0.00 -0.60 0.00 0.00 56.93 55.97 1lav s PHE 8 Cb -0.10 -0.86 -0.02 0.00 0.51 0.00 0.00 43.02 42.56 1lav s PHE 8 CO 0.01 -0.16 0.02 0.95 0.70 0.00 0.00 175.22 176.74 1lav s THR 9 N 0.31 0.13 0.07 0.64 -4.23 -1.02 -1.46 115.64 110.07 1lav s THR 9 Ca -0.06 -1.05 -0.20 0.00 -1.18 0.00 0.00 61.69 59.19 1lav s THR 9 Cb -0.11 -0.61 0.05 0.00 1.34 0.00 0.00 72.50 73.17 1lav s THR 9 CO 0.01 -0.58 0.49 -0.62 -0.54 0.00 0.00 174.62 173.38 1lav s ASP 10 N -1.81 -0.39 -0.04 3.99 -1.08 -0.64 -4.50 116.67 112.22 1lav s ASP 10 Ca -0.10 0.04 -0.15 0.00 -0.52 0.00 0.00 52.55 51.82 1lav s ASP 10 Cb -0.05 0.49 0.03 0.00 -1.46 0.00 0.00 42.92 41.92 1lav s ASP 10 CO -0.03 -0.75 0.34 -0.83 0.52 0.00 0.00 175.17 174.42 1lav s GLY 11 N -2.19 -0.20 -0.01 2.66 0.00 -1.26 -1.49 107.32 104.83 1lav s GLY 11 Ca -0.03 0.50 -0.10 0.00 0.00 0.00 0.00 44.72 45.08 1lav s GLY 11 CO -0.05 0.29 0.22 -0.45 0.00 0.00 0.00 173.10 173.12 1lav s SER 12 N -1.06 -0.09 -0.03 1.64 0.15 -0.00 -4.73 113.70 109.57 1lav s SER 12 Ca -0.11 -0.01 -0.03 0.00 0.70 0.00 0.00 55.95 56.49 1lav s SER 12 Cb -0.04 0.28 0.01 0.00 -1.71 0.00 0.00 66.02 64.55 1lav s SER 12 CO 0.04 -0.37 0.09 0.00 1.20 0.00 0.00 173.24 174.20 1lav h LEU 14 N 5.79 0.00 0.00 0.00 3.38 -1.39 -3.47 115.31 119.62 1lav h LEU 14 Ca -0.26 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 1lav h LEU 14 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1lav h LEU 14 CO 0.44 0.59 -0.03 0.61 0.09 0.00 0.00 178.44 180.14 1lav n GLY 15 N 1.38 3.95 2.49 0.83 0.00 -1.26 -4.94 105.19 107.64 1lav n GLY 15 Ca -0.08 -1.69 -0.27 0.00 0.00 0.00 0.00 46.02 43.98 1lav n GLY 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1lav s ASN 16 N -1.17 2.16 0.63 1.61 2.47 -1.26 -3.08 114.94 116.30 1lav s ASN 16 Ca 0.03 -3.16 -0.06 0.00 0.42 0.00 0.00 52.86 50.08 1lav s ASN 16 Cb 0.00 -0.66 0.02 0.00 -1.45 0.00 0.00 41.25 39.16 1lav s ASN 16 CO 0.02 -0.16 0.95 -2.16 -3.72 0.00 0.00 177.10 172.02 1lav s PRO 17 N -0.16 2.71 0.33 0.43 0.04 -1.26 -5.12 135.00 131.97 1lav s PRO 17 Ca 0.30 -0.04 -0.16 0.00 0.04 0.00 0.00 61.00 61.14 1lav s PRO 17 Cb 0.00 -2.22 0.06 0.00 0.04 0.00 0.00 34.50 32.38 1lav s PRO 17 CO -0.18 -0.88 0.84 0.41 0.04 0.00 0.00 177.00 177.24 1lav n GLY 18 N -2.71 0.89 3.76 0.56 0.00 -0.73 -4.87 105.19 102.09 1lav n GLY 18 Ca 0.06 -1.22 -0.40 0.00 0.00 0.00 0.00 46.02 44.45 1lav n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1lav s PRO 19 N -2.08 4.45 0.36 1.61 0.04 -1.13 0.13 135.00 138.40 1lav s PRO 19 Ca 0.18 1.97 -0.07 0.00 0.04 0.00 0.00 61.00 63.11 1lav s PRO 19 Cb -0.04 -3.07 0.02 0.00 0.04 0.00 0.00 34.50 31.45 1lav s PRO 19 CO 0.10 -0.01 0.60 0.20 0.04 0.00 0.00 177.00 177.93 1lav s GLY 20 N -0.76 1.07 0.35 0.56 0.00 0.22 -1.08 107.32 107.68 1lav s GLY 20 Ca 0.48 -1.23 -0.17 0.00 0.00 0.00 0.00 44.72 43.80 1lav s GLY 20 CO 0.45 -0.73 0.85 -0.32 0.00 0.00 0.00 173.10 173.35 1lav s GLY 21 N -3.18 0.35 0.11 0.20 0.00 0.12 0.18 107.32 105.11 1lav s GLY 21 Ca 0.25 -0.70 -0.01 0.00 0.00 0.00 0.00 44.72 44.25 1lav s GLY 21 CO 0.17 0.37 0.05 -2.52 0.00 0.00 0.00 173.10 171.16 1lav s TYR 22 N -2.12 0.76 -0.03 1.90 -0.85 -0.82 -0.82 117.35 115.37 1lav s TYR 22 Ca 0.17 -1.17 0.01 0.00 -0.52 0.00 0.00 57.07 55.56 1lav s TYR 22 Cb -0.05 -0.44 0.02 0.00 0.38 0.00 0.00 41.96 41.88 1lav s TYR 22 CO 0.10 -0.50 -0.01 0.20 -1.52 0.00 0.00 175.55 173.83 1lav s GLY 23 N -3.01 0.25 -0.01 5.49 0.00 -0.55 -3.26 107.32 106.22 1lav s GLY 23 Ca 0.20 0.13 0.02 0.00 0.00 0.00 0.00 44.72 45.07 1lav s GLY 23 CO -0.01 0.53 -0.06 0.00 0.00 0.00 0.00 173.10 173.56 1lav s ALA 24 N 0.93 0.59 -0.11 3.20 0.00 0.78 -1.61 121.76 125.53 1lav s ALA 24 Ca -0.10 -0.25 0.03 0.00 0.00 0.00 0.00 51.96 51.64 1lav s ALA 24 Cb -0.13 -0.19 -0.00 0.00 0.00 0.00 0.00 23.12 22.80 1lav s ALA 24 CO -0.01 0.12 -0.23 0.42 0.00 0.00 0.00 175.76 176.06 1lav s ILE 25 N 0.02 2.17 -0.17 0.00 1.01 -0.54 -0.84 121.20 122.85 1lav s ILE 25 Ca 0.00 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.68 1lav s ILE 25 Cb -0.05 -1.84 0.03 0.00 0.01 0.00 0.00 42.46 40.61 1lav s ILE 25 CO -0.00 0.55 -0.14 -0.22 0.00 0.00 0.00 174.94 175.14 1lav s LEU 26 N 0.39 1.98 -0.62 2.97 2.96 0.46 -1.65 118.68 125.17 1lav s LEU 26 Ca -0.17 -0.66 -0.15 0.00 -0.22 0.00 0.00 54.13 52.93 1lav s LEU 26 Cb -0.18 -1.25 0.16 0.00 0.50 0.00 0.00 46.19 45.42 1lav s LEU 26 CO 0.08 -0.08 0.58 -0.13 -1.32 0.00 0.00 176.35 175.47 1lav s ARG 27 N 1.42 3.16 -0.05 1.98 0.52 0.30 0.07 118.95 126.36 1lav s ARG 27 Ca 0.03 -1.93 0.02 0.00 -0.52 0.00 0.00 55.73 53.33 1lav s ARG 27 Cb -0.14 -4.33 0.01 0.00 0.52 0.00 0.00 34.95 31.01 1lav s ARG 27 CO -0.10 -1.32 -0.09 -0.47 0.02 0.00 0.00 175.30 173.34 1lav s TYR 28 N 1.19 1.15 0.00 -0.53 5.04 -0.67 -2.32 117.35 121.21 1lav s TYR 28 Ca 0.07 -0.37 0.00 0.00 -2.44 0.00 0.00 57.07 54.33 1lav s TYR 28 Cb -0.24 -0.87 0.00 0.00 0.35 0.00 0.00 41.96 41.20 1lav s TYR 28 CO -0.00 -0.21 0.00 0.54 -1.34 0.00 0.00 175.55 174.54 1lav n ARG 29 N 3.74 0.00 -0.11 4.97 5.12 -1.26 -2.12 116.66 127.00 1lav n ARG 29 Ca -0.23 0.00 0.10 0.00 -1.93 0.00 0.00 57.85 55.79 1lav n ARG 29 Cb 0.52 0.00 0.15 0.00 -1.16 0.00 0.00 32.46 31.97 1lav n ARG 29 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1lav n GLY 30 N 0.00 1.29 3.92 -0.13 0.00 -1.26 -4.68 105.19 104.33 1lav n GLY 30 Ca 0.00 -0.61 -0.19 0.00 0.00 0.00 0.00 46.02 45.22 1lav n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lav s ARG 31 N -1.42 2.67 -0.25 1.61 0.52 -0.90 -5.09 118.95 116.08 1lav s ARG 31 Ca 0.30 -1.40 0.01 0.00 -0.52 0.00 0.00 55.73 54.11 1lav s ARG 31 Cb 0.18 -2.53 0.04 0.00 0.52 0.00 0.00 34.95 33.17 1lav s ARG 31 CO 0.26 -0.19 -0.10 -2.00 0.02 0.00 0.00 175.30 173.29 1lav s GLU 32 N -4.20 2.56 -0.08 3.54 2.12 -1.26 -1.67 118.70 119.72 1lav s GLU 32 Ca 0.50 -1.15 -0.06 0.00 0.36 0.00 0.00 54.97 54.63 1lav s GLU 32 Cb -0.06 -2.90 -0.04 0.00 0.26 0.00 0.00 34.13 31.39 1lav s GLU 32 CO 0.30 -0.47 0.16 0.15 -0.54 0.00 0.00 175.26 174.86 1lav s LYS 33 N 1.22 3.46 -0.09 4.30 1.02 0.11 -4.93 119.74 124.82 1lav s LYS 33 Ca -0.04 -0.17 0.02 0.00 0.02 0.00 0.00 55.97 55.80 1lav s LYS 33 Cb -0.18 -3.16 0.01 0.00 -0.52 0.00 0.00 37.83 33.99 1lav s LYS 33 CO -0.06 0.74 -0.16 0.99 -0.92 0.00 0.00 175.35 175.94 1lav s THR 34 N -1.13 1.53 -0.02 2.17 2.01 -1.26 -0.41 115.64 118.53 1lav s THR 34 Ca 0.20 -0.69 0.07 0.00 0.31 0.00 0.00 61.69 61.57 1lav s THR 34 Cb -0.12 -1.37 -0.02 0.00 0.01 0.00 0.00 72.50 71.00 1lav s THR 34 CO 0.09 0.44 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.89 1lav s PHE 35 N 0.73 2.01 -0.29 4.92 0.40 -0.02 -5.00 117.98 120.73 1lav s PHE 35 Ca -0.12 -0.40 -0.18 0.00 -0.60 0.00 0.00 56.93 55.62 1lav s PHE 35 Cb -0.16 -1.30 0.14 0.00 0.51 0.00 0.00 43.02 42.22 1lav s PHE 35 CO 0.03 -0.05 1.01 0.45 0.70 0.00 0.00 175.22 177.36 1lav s SER 36 N -0.47 -0.47 -0.02 1.36 0.15 -1.26 -0.16 113.70 112.84 1lav s SER 36 Ca 0.07 0.78 -0.14 0.00 0.70 0.00 0.00 55.95 57.36 1lav s SER 36 Cb -0.09 1.08 0.02 0.00 -1.71 0.00 0.00 66.02 65.33 1lav s SER 36 CO -0.00 -0.13 0.30 0.00 1.20 0.00 0.00 173.24 174.61 1lav s ALA 37 N 1.02 -0.76 0.01 5.45 0.00 -1.20 -4.99 121.76 121.29 1lav s ALA 37 Ca -0.06 0.33 0.04 0.00 0.00 0.00 0.00 51.96 52.28 1lav s ALA 37 Cb -0.04 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 1lav s ALA 37 CO -0.13 -0.25 -0.10 0.20 0.00 0.00 0.00 175.76 175.48 1lav s GLY 38 N -1.25 1.68 -0.08 0.00 0.00 -1.25 -1.94 107.32 104.48 1lav s GLY 38 Ca -0.13 -1.06 0.05 0.00 0.00 0.00 0.00 44.72 43.58 1lav s GLY 38 CO 0.04 -0.93 -0.24 -0.19 0.00 0.00 0.00 173.10 171.78 1lav s TYR 39 N -0.95 2.52 0.28 1.90 1.51 0.13 -0.43 117.35 122.30 1lav s TYR 39 Ca 0.16 -0.92 -0.01 0.00 -1.01 0.00 0.00 57.07 55.29 1lav s TYR 39 Cb -0.11 -1.67 0.46 0.00 -0.11 0.00 0.00 41.96 40.53 1lav s TYR 39 CO 0.06 -0.34 1.88 1.79 -1.11 0.00 0.00 175.55 177.83 1lav h THR 40 N 5.46 1.05 -2.25 -0.71 1.35 -1.53 0.65 112.91 116.93 1lav h THR 40 Ca -0.24 -0.38 -0.28 0.00 -0.55 0.00 0.00 66.41 64.95 1lav h THR 40 Cb 1.22 -0.17 -0.34 0.00 -1.73 0.00 0.00 68.15 67.13 1lav h THR 40 CO 0.47 0.20 -0.60 -0.60 -0.25 0.00 0.00 175.52 174.75 1lav s ARG 41 N -6.00 0.27 0.00 4.72 3.52 -1.26 -2.82 118.95 117.39 1lav s ARG 41 Ca -0.12 0.16 0.00 0.00 -0.13 0.00 0.00 55.73 55.63 1lav s ARG 41 Cb 0.21 -0.86 0.00 0.00 -1.56 0.00 0.00 34.95 32.74 1lav s ARG 41 CO 0.81 -0.78 0.00 -2.37 -0.81 0.00 0.00 175.30 172.15 1lav n THR 42 N 5.33 0.00 -4.33 4.11 5.66 0.36 -4.46 114.28 120.94 1lav n THR 42 Ca -0.04 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.79 1lav n THR 42 Cb 0.49 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.16 1lav n THR 42 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1lav s THR 43 N -2.38 1.32 0.20 1.09 -4.23 -1.26 -1.78 115.64 108.61 1lav s THR 43 Ca 0.00 -2.09 -0.10 0.00 -1.18 0.00 0.00 61.69 58.31 1lav s THR 43 Cb 0.00 -2.17 0.13 0.00 1.34 0.00 0.00 72.50 71.80 1lav s THR 43 CO 0.00 -0.49 1.84 -1.13 -0.54 0.00 0.00 174.62 174.30 1lav h ASN 44 N 2.54 0.68 -0.78 3.99 -1.24 -1.87 -2.28 115.58 116.62 1lav h ASN 44 Ca -0.38 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.61 1lav h ASN 44 Cb 1.22 -0.14 -0.04 0.00 0.73 0.00 0.00 38.32 40.08 1lav h ASN 44 CO 0.64 0.47 0.40 0.78 -1.29 0.00 0.00 177.43 178.44 1lav h ASN 45 N 0.82 1.00 -0.18 1.15 -0.26 -1.97 -1.90 115.58 114.24 1lav h ASN 45 Ca 0.27 -0.12 -0.09 0.00 -0.56 0.00 0.00 56.30 55.81 1lav h ASN 45 Cb 0.03 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.02 1lav h ASN 45 CO -0.11 0.83 -0.17 0.03 -1.06 0.00 0.00 177.43 176.95 1lav h ARG 46 N 1.09 0.59 -0.19 0.81 3.08 -1.91 -2.58 114.38 115.26 1lav h ARG 46 Ca 0.27 -0.20 -0.19 0.00 0.07 0.00 0.00 59.98 59.93 1lav h ARG 46 Cb 0.08 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1lav h ARG 46 CO -0.04 0.74 -0.63 0.52 -1.07 0.00 0.00 179.97 179.48 1lav h MET 47 N 0.53 0.69 -0.54 0.04 2.86 -1.09 -0.07 114.93 117.35 1lav h MET 47 Ca 0.09 -0.49 -0.05 0.00 -2.06 0.00 0.00 59.70 57.19 1lav h MET 47 Cb 0.60 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 1lav h MET 47 CO 0.04 1.11 0.11 0.93 1.06 0.00 0.00 176.91 180.16 1lav h GLU 48 N 0.51 0.84 -0.14 1.72 5.08 -1.24 -1.23 114.58 120.13 1lav h GLU 48 Ca -0.01 -0.18 -0.23 0.00 -1.00 0.00 0.00 59.36 57.94 1lav h GLU 48 Cb 1.22 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.36 1lav h GLU 48 CO 0.13 0.77 -0.80 -0.07 -1.00 0.00 0.00 179.01 178.04 1lav h LEU 49 N 0.81 0.91 -1.29 1.33 3.38 -1.37 -3.25 115.31 115.83 1lav h LEU 49 Ca 0.17 -0.61 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 1lav h LEU 49 Cb 0.32 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1lav h LEU 49 CO 0.00 1.41 0.39 -0.03 0.09 0.00 0.00 178.44 180.30 1lav h MET 50 N 0.51 0.87 0.09 1.13 4.05 -0.53 -1.34 114.93 119.71 1lav h MET 50 Ca -0.06 -0.07 0.02 0.00 -0.28 0.00 0.00 59.70 59.31 1lav h MET 50 Cb 1.43 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 32.01 1lav h MET 50 CO 0.16 0.61 -0.21 0.00 0.23 0.00 0.00 176.91 177.70 1lav h ALA 51 N 1.54 -0.33 -0.42 0.39 0.00 -1.27 -1.76 119.26 117.41 1lav h ALA 51 Ca 0.23 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1lav h ALA 51 Cb -0.04 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1lav h ALA 51 CO -0.04 -0.73 0.26 0.00 0.00 0.00 0.00 179.25 178.74 1lav h ALA 52 N 0.44 0.53 0.60 0.00 0.00 -1.54 -3.04 119.26 116.26 1lav h ALA 52 Ca 0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1lav h ALA 52 Cb 0.41 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1lav h ALA 52 CO -0.13 0.01 -0.40 0.82 0.00 0.00 0.00 179.25 179.55 1lav h ILE 53 N 0.56 0.18 -0.41 0.00 2.04 -0.98 -2.16 117.51 116.74 1lav h ILE 53 Ca 0.15 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.03 1lav h ILE 53 Cb -0.02 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 1lav h ILE 53 CO -0.03 0.00 0.27 0.58 0.00 0.00 0.00 178.15 178.97 1lav h VAL 54 N -0.96 1.07 -0.14 1.67 2.07 -1.38 -1.03 116.25 117.55 1lav h VAL 54 Ca -0.07 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 1lav h VAL 54 Cb 0.79 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1lav h VAL 54 CO 0.05 0.09 -0.03 0.00 0.02 0.00 0.00 177.57 177.70 1lav h ALA 55 N 1.75 0.19 -0.29 1.67 0.00 -1.46 -3.15 119.26 117.97 1lav h ALA 55 Ca 0.16 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 1lav h ALA 55 Cb 0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1lav h ALA 55 CO -0.04 -0.06 -0.49 -0.07 0.00 0.00 0.00 179.25 178.59 1lav h LEU 56 N -0.04 0.88 -0.34 0.00 3.38 -1.23 -3.04 115.31 114.93 1lav h LEU 56 Ca 0.04 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1lav h LEU 56 Cb 0.45 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1lav h LEU 56 CO 0.01 1.22 0.00 -0.62 0.09 0.00 0.00 178.44 179.14 1lav n GLU 57 N -4.01 0.05 0.16 1.13 1.02 -0.40 -1.99 120.64 116.60 1lav n GLU 57 Ca -0.03 0.43 0.07 0.00 -0.02 0.00 0.00 57.16 57.61 1lav n GLU 57 Cb 0.59 -1.63 0.07 0.00 -0.02 0.00 0.00 31.44 30.45 1lav n GLU 57 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1lav h ALA 58 N 2.20 0.78 -2.37 0.62 0.00 -1.49 -3.45 119.26 115.55 1lav h ALA 58 Ca 0.00 -0.24 -0.54 0.00 0.00 0.00 0.00 54.91 54.13 1lav h ALA 58 Cb 0.13 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1lav h ALA 58 CO 0.00 0.30 0.77 -0.51 0.00 0.00 0.00 179.25 179.81 1lav s LEU 59 N -6.13 4.31 0.00 0.00 1.43 -0.84 -4.92 118.68 112.53 1lav s LEU 59 Ca 0.04 2.02 0.21 0.00 -1.03 0.00 0.00 54.13 55.37 1lav s LEU 59 Cb 0.07 -3.56 0.37 0.00 0.03 0.00 0.00 46.19 43.10 1lav s LEU 59 CO 0.73 -0.66 1.32 0.29 0.23 0.00 0.00 176.35 178.26 1lav n LYS 60 N 5.16 2.34 -4.08 1.70 4.76 -1.26 -4.96 118.16 121.82 1lav n LYS 60 Ca 0.12 -2.15 -0.10 0.00 -2.87 0.00 0.00 58.31 53.31 1lav n LYS 60 Cb 0.45 -1.45 -0.08 0.00 -1.84 0.00 0.00 35.03 32.10 1lav n LYS 60 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1lav s GLU 61 N -1.38 1.15 -0.10 1.97 1.03 -1.26 -5.10 118.70 115.01 1lav s GLU 61 Ca 0.34 -1.38 -0.29 0.00 0.03 0.00 0.00 54.97 53.67 1lav s GLU 61 Cb 0.20 0.32 -0.04 0.00 -0.80 0.00 0.00 34.13 33.81 1lav s GLU 61 CO 0.28 -0.39 1.50 -1.01 -1.33 0.00 0.00 175.26 174.31 1lav s HIS 62 N -4.05 2.32 0.42 4.83 3.76 -1.26 -4.97 115.29 116.35 1lav s HIS 62 Ca 0.25 0.52 0.07 0.00 -0.15 0.00 0.00 55.06 55.75 1lav s HIS 62 Cb 0.05 -3.75 -0.07 0.00 1.11 0.00 0.00 32.58 29.91 1lav s HIS 62 CO 0.05 -3.00 0.02 0.00 -0.85 0.00 0.00 174.74 170.96 1lav s GLU 64 N -3.74 2.68 0.13 0.00 2.02 -1.26 -1.27 118.70 117.26 1lav s GLU 64 Ca 0.34 -1.20 0.08 0.00 0.02 0.00 0.00 54.97 54.21 1lav s GLU 64 Cb 0.09 -3.61 -0.04 0.00 0.10 0.00 0.00 34.13 30.66 1lav s GLU 64 CO 0.17 -0.73 -0.14 0.08 0.02 0.00 0.00 175.26 174.66 1lav s VAL 65 N 1.46 3.07 -0.25 2.63 1.01 -0.17 0.31 120.40 128.45 1lav s VAL 65 Ca 0.00 -1.46 -0.00 0.00 0.00 0.00 0.00 61.98 60.52 1lav s VAL 65 Cb -0.20 -2.44 0.07 0.00 0.00 0.00 0.00 36.38 33.81 1lav s VAL 65 CO 0.04 0.06 0.02 -0.51 0.00 0.00 0.00 175.10 174.71 1lav s ILE 66 N -1.28 1.13 -0.21 2.22 1.10 -0.58 -1.07 121.20 122.51 1lav s ILE 66 Ca 0.20 -1.19 -0.07 0.00 -0.51 0.00 0.00 60.65 59.09 1lav s ILE 66 Cb -0.10 -1.63 -0.03 0.00 0.15 0.00 0.00 42.46 40.85 1lav s ILE 66 CO 0.12 -0.34 0.05 -0.22 -2.11 0.00 0.00 174.94 172.44 1lav s LEU 67 N 1.54 3.53 -0.14 8.50 0.20 0.05 -1.98 118.68 130.39 1lav s LEU 67 Ca 0.01 -0.09 -0.01 0.00 0.69 0.00 0.00 54.13 54.73 1lav s LEU 67 Cb -0.18 -1.91 -0.02 0.00 -0.43 0.00 0.00 46.19 43.65 1lav s LEU 67 CO -0.12 0.08 -0.11 -0.55 -0.29 0.00 0.00 176.35 175.35 1lav s SER 68 N 0.95 4.13 0.06 3.68 0.15 0.16 -0.84 113.70 121.99 1lav s SER 68 Ca 0.03 -0.30 -0.26 0.00 0.70 0.00 0.00 55.95 56.11 1lav s SER 68 Cb -0.14 -1.64 0.08 0.00 -1.71 0.00 0.00 66.02 62.61 1lav s SER 68 CO 0.03 0.16 0.70 0.28 1.20 0.00 0.00 173.24 175.60 1lav s THR 69 N 0.41 0.00 -1.69 6.45 -1.32 -0.84 -2.44 115.64 116.21 1lav s THR 69 Ca -0.09 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.54 1lav s THR 69 Cb -0.16 -1.00 0.24 0.00 -1.51 0.00 0.00 72.50 70.07 1lav s THR 69 CO 0.05 0.00 1.13 -0.90 -2.21 0.00 0.00 174.62 172.69 1lav n ASP 70 N 0.03 2.67 -4.64 8.08 5.75 -1.26 -1.09 116.55 126.10 1lav n ASP 70 Ca -0.16 -1.78 -0.42 0.00 -0.01 0.00 0.00 54.79 52.42 1lav n ASP 70 Cb 0.62 -0.12 -0.03 0.00 -1.03 0.00 0.00 41.12 40.56 1lav n ASP 70 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1lav s SER 71 N -1.18 6.20 0.11 -1.12 0.15 -1.26 -4.80 113.70 111.80 1lav s SER 71 Ca 0.23 2.22 -0.09 0.00 0.70 0.00 0.00 55.95 59.01 1lav s SER 71 Cb 0.14 -2.53 -0.12 0.00 -1.71 0.00 0.00 66.02 61.80 1lav s SER 71 CO 0.20 -1.32 1.30 -0.61 1.20 0.00 0.00 173.24 174.02 1lav h GLN 72 N 11.68 0.63 -0.60 5.44 4.15 -1.97 -2.64 115.11 131.81 1lav h GLN 72 Ca -0.43 -0.58 -0.01 0.00 0.77 0.00 0.00 58.65 58.39 1lav h GLN 72 Cb 1.22 0.14 -0.03 0.00 0.21 0.00 0.00 27.48 29.02 1lav h GLN 72 CO 0.96 1.20 0.33 -0.92 -1.93 0.00 0.00 178.83 178.46 1lav h TYR 73 N 0.40 0.81 0.04 3.99 3.20 -1.97 -0.18 116.97 123.27 1lav h TYR 73 Ca -0.07 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.78 1lav h TYR 73 Cb 1.50 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.50 1lav h TYR 73 CO 0.08 0.59 -0.02 -0.07 -1.64 0.00 0.00 178.16 177.10 1lav h LEU 74 N 0.81 -0.04 0.10 2.82 3.38 -1.93 -0.25 115.31 120.19 1lav h LEU 74 Ca 0.21 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.17 1lav h LEU 74 Cb 0.04 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1lav h LEU 74 CO -0.03 0.00 -0.31 -0.09 0.09 0.00 0.00 178.44 178.09 1lav h ARG 75 N -0.08 -0.50 -0.82 1.13 2.43 -1.09 -0.02 114.38 115.43 1lav h ARG 75 Ca -0.01 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1lav h ARG 75 Cb 0.07 0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.69 1lav h ARG 75 CO 0.01 -0.33 0.53 1.96 -1.51 0.00 0.00 179.97 180.62 1lav h GLN 76 N -0.52 1.02 0.88 0.20 4.20 -1.00 0.17 115.11 120.05 1lav h GLN 76 Ca 0.04 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 1lav h GLN 76 Cb 0.56 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1lav h GLN 76 CO -0.20 0.67 -0.48 0.78 -0.67 0.00 0.00 178.83 178.93 1lav h GLY 77 N 1.05 -1.35 0.40 3.46 0.00 -0.54 0.11 103.07 106.20 1lav h GLY 77 Ca 0.32 0.53 0.10 0.00 0.00 0.00 0.00 47.33 48.28 1lav h GLY 77 CO -0.10 -0.47 0.29 -2.22 0.00 0.00 0.00 176.54 174.04 1lav h ILE 78 N -1.25 0.79 0.00 2.60 1.08 -0.72 -0.98 117.51 119.03 1lav h ILE 78 Ca -0.12 -0.17 -0.12 0.00 -0.39 0.00 0.00 64.86 64.06 1lav h ILE 78 Cb 0.98 0.25 -0.02 0.00 -3.07 0.00 0.00 36.82 34.97 1lav h ILE 78 CO 0.16 0.09 -1.15 0.71 -0.69 0.00 0.00 178.15 177.26 1lav h THR 79 N 0.50 0.44 0.00 -0.27 1.35 -0.59 -3.44 112.91 110.90 1lav h THR 79 Ca 0.34 -1.80 0.00 0.00 -0.55 0.00 0.00 66.41 64.40 1lav h THR 79 Cb 0.40 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 1lav h THR 79 CO -0.30 0.25 -0.75 0.00 -0.25 0.00 0.00 175.52 174.48 1lav n GLN 80 N -2.90 2.15 -0.07 4.72 6.02 0.38 -4.98 117.38 122.70 1lav n GLN 80 Ca -0.06 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.81 1lav n GLN 80 Cb 0.76 -0.87 -0.05 0.00 1.02 0.00 0.00 30.24 31.09 1lav n GLN 80 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1lav n TRP 81 N -1.33 0.00 -0.26 1.08 8.01 -0.84 -4.71 117.44 119.39 1lav n TRP 81 Ca 0.00 0.00 0.07 0.00 -1.31 0.00 0.00 57.50 56.26 1lav n TRP 81 Cb 0.16 -0.49 0.21 0.00 -2.01 0.00 0.00 31.31 29.18 1lav n TRP 81 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.69 177.65 1lav h ILE 82 N -0.28 0.49 0.48 -0.99 2.10 -1.48 0.28 117.51 118.10 1lav h ILE 82 Ca -0.32 -0.10 -0.02 0.00 1.08 0.00 0.00 64.86 65.51 1lav h ILE 82 Cb 1.36 0.18 -0.02 0.00 -1.09 0.00 0.00 36.82 37.25 1lav h ILE 82 CO -0.14 0.05 -0.45 -0.74 -1.08 0.00 0.00 178.15 175.80 1lav h HIS 83 N 0.29 -1.23 0.00 2.19 2.76 -1.87 -1.36 115.15 115.93 1lav h HIS 83 Ca 0.45 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.62 1lav h HIS 83 Cb 0.79 0.47 -0.00 0.00 1.55 0.00 0.00 27.41 30.22 1lav h HIS 83 CO -0.25 -0.60 -0.02 -0.91 -1.30 0.00 0.00 177.93 174.85 1lav h ASN 84 N -0.91 0.00 0.33 3.26 2.35 -1.66 -2.35 115.58 116.60 1lav h ASN 84 Ca -0.06 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.52 1lav h ASN 84 Cb 0.78 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 1lav h ASN 84 CO -0.04 0.02 -0.67 -0.50 -1.65 0.00 0.00 177.43 174.59 1lav h TRP 85 N 0.00 0.41 -0.48 1.19 6.55 0.37 -2.45 115.95 121.54 1lav h TRP 85 Ca -0.00 -0.17 -0.11 0.00 0.95 0.00 0.00 58.89 59.56 1lav h TRP 85 Cb 0.05 -0.07 -0.01 0.00 -0.86 0.00 0.00 29.16 28.27 1lav h TRP 85 CO 0.00 0.89 -0.13 0.87 -1.05 0.00 0.00 178.44 179.01 1lav h LYS 86 N 0.22 0.95 -0.21 0.49 1.57 -0.72 0.61 116.57 119.47 1lav h LYS 86 Ca -0.02 -0.37 -0.06 0.00 -1.87 0.00 0.00 60.65 58.33 1lav h LYS 86 Cb 1.22 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 1lav h LYS 86 CO 0.11 1.03 -0.14 0.87 -0.57 0.00 0.00 179.45 180.75 1lav h LYS 87 N 0.80 0.35 -0.56 3.15 1.79 -1.56 -2.82 116.57 117.73 1lav h LYS 87 Ca 0.12 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1lav h LYS 87 Cb 0.70 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1lav h LYS 87 CO 0.05 0.50 0.00 0.54 -1.08 0.00 0.00 179.45 179.46 1lav n ARG 88 N -4.22 2.35 -2.31 3.15 1.74 -0.92 -4.95 116.66 111.49 1lav n ARG 88 Ca -0.00 -2.09 -0.11 0.00 -0.77 0.00 0.00 57.85 54.87 1lav n ARG 88 Cb 0.31 -1.46 -0.00 0.00 -1.02 0.00 0.00 32.46 30.28 1lav n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1lav n GLY 89 N 1.43 -0.07 3.43 -0.13 0.00 -0.89 -3.60 105.19 105.36 1lav n GLY 89 Ca 0.20 -0.39 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 1lav n GLY 89 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1lav n TRP 90 N -3.99 -2.64 -4.27 1.61 7.02 0.21 -4.99 117.44 110.38 1lav n TRP 90 Ca -0.12 0.90 -0.21 0.00 -1.02 0.00 0.00 57.50 57.06 1lav n TRP 90 Cb 0.59 -4.81 -0.12 0.00 -2.42 0.00 0.00 31.31 24.56 1lav n TRP 90 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1lav s LYS 91 N -6.17 1.09 0.87 -0.99 1.02 -1.24 -1.55 119.74 112.77 1lav s LYS 91 Ca 0.52 -1.21 -0.12 0.00 0.02 0.00 0.00 55.97 55.18 1lav s LYS 91 Cb -0.23 -1.17 0.14 0.00 -0.52 0.00 0.00 37.83 36.05 1lav s LYS 91 CO 0.65 0.25 1.22 0.95 -0.92 0.00 0.00 175.35 177.50 1lav s THR 92 N -1.65 2.04 0.54 2.17 -4.23 0.30 -4.80 115.64 110.02 1lav s THR 92 Ca 0.08 -0.08 0.23 0.00 -1.18 0.00 0.00 61.69 60.74 1lav s THR 92 Cb -0.08 -2.96 0.31 0.00 1.34 0.00 0.00 72.50 71.11 1lav s THR 92 CO 0.04 0.00 2.19 0.00 -0.54 0.00 0.00 174.62 176.31 1lav h ALA 93 N -1.26 1.71 -0.47 3.99 0.00 -2.00 -1.12 119.26 120.11 1lav h ALA 93 Ca -0.44 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1lav h ALA 93 Cb 1.27 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1lav h ALA 93 CO 0.49 0.02 0.03 -0.40 0.00 0.00 0.00 179.25 179.39 1lav n ASP 94 N -4.14 4.66 -2.13 0.00 5.75 -1.26 -4.89 116.55 114.53 1lav n ASP 94 Ca -0.03 -2.76 -0.18 0.00 -0.01 0.00 0.00 54.79 51.81 1lav n ASP 94 Cb 0.10 -0.65 -0.01 0.00 -1.03 0.00 0.00 41.12 39.53 1lav n ASP 94 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1lav n LYS 95 N 0.42 -1.62 -3.93 0.11 4.76 -0.42 -5.02 118.16 112.45 1lav n LYS 95 Ca 0.23 0.89 -0.21 0.00 -2.87 0.00 0.00 58.31 56.35 1lav n LYS 95 Cb 1.02 -5.42 -0.03 0.00 -1.84 0.00 0.00 35.03 28.75 1lav n LYS 95 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1lav s LYS 96 N -4.95 3.01 0.56 1.97 1.02 -1.26 -4.82 119.74 115.27 1lav s LYS 96 Ca 0.01 -1.04 -0.21 0.00 0.02 0.00 0.00 55.97 54.75 1lav s LYS 96 Cb -0.01 -2.64 -0.04 0.00 -0.52 0.00 0.00 37.83 34.62 1lav s LYS 96 CO 0.02 0.29 1.28 -2.14 -0.92 0.00 0.00 175.35 173.89 1lav s PRO 97 N -3.95 3.11 0.94 -1.68 0.02 -1.26 0.11 135.00 132.30 1lav s PRO 97 Ca 0.36 2.05 -0.12 0.00 0.02 0.00 0.00 61.00 63.32 1lav s PRO 97 Cb -0.08 -2.15 0.16 0.00 0.02 0.00 0.00 34.50 32.45 1lav s PRO 97 CO 0.27 -1.15 1.09 0.14 -0.33 0.00 0.00 177.00 177.02 1lav s VAL 98 N -1.42 2.47 0.24 3.83 -7.23 -0.60 -4.60 120.40 113.09 1lav s VAL 98 Ca 0.73 0.15 -0.30 0.00 -1.81 0.00 0.00 61.98 60.76 1lav s VAL 98 Cb -0.36 -2.50 -0.09 0.00 0.56 0.00 0.00 36.38 33.99 1lav s VAL 98 CO 0.41 -0.20 1.14 -0.75 -0.31 0.00 0.00 175.10 175.40 1lav s LYS 99 N -4.81 4.57 -1.42 4.82 2.20 -1.26 -2.74 119.74 121.09 1lav s LYS 99 Ca 0.65 1.84 0.00 0.00 -0.36 0.00 0.00 55.97 58.10 1lav s LYS 99 Cb -0.20 -3.21 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 1lav s LYS 99 CO 0.58 0.08 0.00 0.09 -0.36 0.00 0.00 175.35 175.74 1lav n ASN 100 N 1.72 -4.83 0.03 1.43 3.02 -1.26 -4.89 115.26 110.47 1lav n ASN 100 Ca 0.01 0.03 0.21 0.00 -0.03 0.00 0.00 54.58 54.80 1lav n ASN 100 Cb 0.45 -3.93 0.73 0.00 -0.61 0.00 0.00 39.78 36.42 1lav n ASN 100 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1lav h VAL 101 N 0.00 0.57 -0.22 2.41 3.04 -1.88 -0.85 116.25 119.32 1lav h VAL 101 Ca -0.38 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.30 1lav h VAL 101 Cb 1.26 0.70 -0.01 0.00 -2.01 0.00 0.00 31.29 31.23 1lav h VAL 101 CO 0.46 0.00 0.11 -2.24 -1.01 0.00 0.00 177.57 174.88 1lav h ASP 102 N 0.00 0.29 0.00 3.17 2.03 -1.90 -1.73 116.42 118.28 1lav h ASP 102 Ca 0.24 -0.12 -0.15 0.00 -0.73 0.00 0.00 57.03 56.26 1lav h ASP 102 Cb 1.06 -0.07 0.01 0.00 -0.83 0.00 0.00 39.33 39.50 1lav h ASP 102 CO -0.00 0.33 -0.58 -0.07 -1.03 0.00 0.00 179.24 177.88 1lav h LEU 103 N 0.23 0.51 -1.26 0.15 3.38 -1.59 -2.42 115.31 114.31 1lav h LEU 103 Ca 0.08 -0.77 -0.02 0.00 0.09 0.00 0.00 57.88 57.26 1lav h LEU 103 Cb 0.12 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1lav h LEU 103 CO -0.01 1.21 0.30 -0.50 0.09 0.00 0.00 178.44 179.53 1lav h TRP 104 N -0.13 0.79 -0.23 1.13 4.06 -1.34 0.30 115.95 120.53 1lav h TRP 104 Ca -0.07 -0.02 -0.16 0.00 2.06 0.00 0.00 58.89 60.70 1lav h TRP 104 Cb 1.30 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 29.20 1lav h TRP 104 CO 0.15 0.57 -0.50 1.96 -3.56 0.00 0.00 178.44 177.06 1lav h GLN 105 N 0.81 0.63 -0.23 0.49 4.20 -1.36 0.77 115.11 120.42 1lav h GLN 105 Ca 0.20 -0.37 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 1lav h GLN 105 Cb 0.05 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1lav h GLN 105 CO -0.03 0.98 0.10 -0.09 -0.67 0.00 0.00 178.83 179.12 1lav h ARG 106 N 0.49 0.34 0.04 1.46 2.43 -0.88 -1.62 114.38 116.64 1lav h ARG 106 Ca 0.02 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1lav h ARG 106 Cb 1.04 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 1lav h ARG 106 CO 0.10 0.38 -0.02 1.25 -1.51 0.00 0.00 179.97 180.17 1lav h LEU 107 N 0.23 -0.04 -0.81 3.80 5.85 -0.34 -2.99 115.31 121.01 1lav h LEU 107 Ca 0.08 -0.09 0.15 0.00 0.84 0.00 0.00 57.88 58.86 1lav h LEU 107 Cb 0.16 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.10 1lav h LEU 107 CO -0.01 0.07 0.36 -0.78 -0.34 0.00 0.00 178.44 177.74 1lav h ASP 108 N -0.15 0.38 -0.83 1.25 3.58 -0.63 -0.31 116.42 119.71 1lav h ASP 108 Ca -0.00 0.11 0.03 0.00 0.42 0.00 0.00 57.03 57.58 1lav h ASP 108 Cb 0.13 0.06 -0.05 0.00 1.72 0.00 0.00 39.33 41.20 1lav h ASP 108 CO 0.01 0.14 0.54 0.00 -2.88 0.00 0.00 179.24 177.04 1lav h ALA 109 N 1.57 1.09 -0.25 -0.78 0.00 -1.16 -2.31 119.26 117.42 1lav h ALA 109 Ca 0.45 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 55.17 1lav h ALA 109 Cb 0.69 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1lav h ALA 109 CO -0.40 0.38 -0.48 0.00 0.00 0.00 0.00 179.25 178.75 1lav h ALA 110 N 1.34 0.70 -0.01 0.00 0.00 -1.18 -3.26 119.26 116.84 1lav h ALA 110 Ca 0.33 -0.48 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 1lav h ALA 110 Cb -0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1lav h ALA 110 CO -0.11 0.67 -0.65 -0.07 0.00 0.00 0.00 179.25 179.09 1lav h LEU 111 N 0.52 0.06 0.00 0.00 3.38 -0.70 -3.17 115.31 115.41 1lav h LEU 111 Ca 0.03 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1lav h LEU 111 Cb 1.02 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1lav h LEU 111 CO 0.10 0.70 0.00 0.61 0.09 0.00 0.00 178.44 179.93 1lav n GLY 112 N 0.35 -0.73 0.77 0.83 0.00 -0.90 -2.65 105.19 102.86 1lav n GLY 112 Ca -0.01 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 45.98 1lav n GLY 112 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1lav n GLN 113 N -0.95 1.86 -4.08 1.61 1.13 -1.20 -5.02 117.38 110.72 1lav n GLN 113 Ca 0.16 -1.60 -0.09 0.00 -1.94 0.00 0.00 57.00 53.52 1lav n GLN 113 Cb 0.07 -1.41 -0.09 0.00 0.11 0.00 0.00 30.24 28.92 1lav n GLN 113 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1lav s HIS 114 N -1.88 0.65 -0.38 1.08 3.76 -1.09 -4.22 115.29 113.21 1lav s HIS 114 Ca 0.23 -1.07 -0.16 0.00 -0.15 0.00 0.00 55.06 53.91 1lav s HIS 114 Cb 0.18 -0.36 0.01 0.00 1.11 0.00 0.00 32.58 33.51 1lav s HIS 114 CO 0.32 -0.52 0.40 -0.65 -0.85 0.00 0.00 174.74 173.43 1lav s GLN 115 N -3.99 3.32 -0.11 1.40 -0.21 -0.39 -5.00 119.66 114.68 1lav s GLN 115 Ca 0.18 -0.60 -0.02 0.00 0.02 0.00 0.00 55.36 54.94 1lav s GLN 115 Cb 0.07 -3.89 -0.03 0.00 1.00 0.00 0.00 33.01 30.16 1lav s GLN 115 CO -0.02 -0.69 -0.02 0.42 -2.12 0.00 0.00 175.29 172.86 1lav s ILE 116 N 2.07 4.10 -0.22 1.08 1.01 -1.26 -1.00 121.20 126.97 1lav s ILE 116 Ca 0.12 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.47 1lav s ILE 116 Cb -0.17 -2.74 0.05 0.00 0.01 0.00 0.00 42.46 39.61 1lav s ILE 116 CO 0.13 0.57 -0.09 -0.75 0.00 0.00 0.00 174.94 174.80 1lav s LYS 117 N -0.47 1.91 -0.02 2.79 2.20 -0.23 -4.99 119.74 120.93 1lav s LYS 117 Ca 0.08 -0.96 -0.21 0.00 -0.36 0.00 0.00 55.97 54.52 1lav s LYS 117 Cb -0.12 -2.54 -0.05 0.00 -1.51 0.00 0.00 37.83 33.61 1lav s LYS 117 CO 0.02 -0.51 0.60 -1.58 -0.36 0.00 0.00 175.35 173.52 1lav s TRP 118 N 1.36 3.65 -0.29 4.03 0.52 -1.26 -0.77 118.94 126.18 1lav s TRP 118 Ca -0.04 1.17 0.00 0.00 0.02 0.00 0.00 56.10 57.26 1lav s TRP 118 Cb -0.18 -2.63 0.09 0.00 -1.15 0.00 0.00 33.47 29.60 1lav s TRP 118 CO -0.07 0.30 0.04 -2.00 0.02 0.00 0.00 176.95 175.24 1lav s GLU 119 N 0.02 1.11 -0.43 4.98 2.12 -0.02 -4.94 118.70 121.54 1lav s GLU 119 Ca 0.31 -1.17 -0.27 0.00 0.36 0.00 0.00 54.97 54.21 1lav s GLU 119 Cb -0.18 -2.42 0.02 0.00 0.26 0.00 0.00 34.13 31.81 1lav s GLU 119 CO 0.17 -0.84 1.00 -1.58 -0.54 0.00 0.00 175.26 173.47 1lav s TRP 120 N 1.42 2.95 0.23 5.30 0.23 -1.26 -1.99 118.94 125.83 1lav s TRP 120 Ca 0.05 0.66 0.06 0.00 -2.03 0.00 0.00 56.10 54.84 1lav s TRP 120 Cb -0.18 -4.00 -0.03 0.00 0.03 0.00 0.00 33.47 29.29 1lav s TRP 120 CO -0.15 -1.05 0.28 0.14 0.96 0.00 0.00 176.95 177.13 1lav s VAL 121 N 3.88 4.90 0.15 4.03 -7.23 -0.25 -4.97 120.40 120.91 1lav s VAL 121 Ca 0.41 -1.13 -0.24 0.00 -1.81 0.00 0.00 61.98 59.20 1lav s VAL 121 Cb -0.10 -3.64 -0.08 0.00 0.56 0.00 0.00 36.38 33.12 1lav s VAL 121 CO 0.25 -0.31 0.75 -0.54 -0.31 0.00 0.00 175.10 174.94 1lav s LYS 122 N -3.82 4.52 0.26 4.82 -0.14 -1.26 -4.08 119.74 120.04 1lav s LYS 122 Ca 0.33 1.10 -0.02 0.00 -1.36 0.00 0.00 55.97 56.02 1lav s LYS 122 Cb -0.09 -3.26 0.57 0.00 -1.68 0.00 0.00 37.83 33.37 1lav s LYS 122 CO 0.27 0.57 1.66 0.78 -0.76 0.00 0.00 175.35 177.87 1lav h GLY 123 N 4.40 1.15 -1.34 -3.33 0.00 -1.96 0.10 103.07 102.09 1lav h GLY 123 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1lav h GLY 123 CO 0.66 -0.29 0.00 -2.39 0.00 0.00 0.00 176.54 174.52 1lav n HIS 124 N -5.22 0.50 -2.65 5.60 1.44 -1.26 -4.03 115.22 109.59 1lav n HIS 124 Ca 0.17 -0.24 0.02 0.00 -2.01 0.00 0.00 57.72 55.66 1lav n HIS 124 Cb 0.56 -0.02 0.03 0.00 0.12 0.00 0.00 29.99 30.69 1lav n HIS 124 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1lav n ALA 125 N 0.50 2.53 -1.28 1.59 0.00 0.32 -5.11 120.51 119.06 1lav n ALA 125 Ca 0.12 -2.44 0.00 0.00 0.00 0.00 0.00 53.44 51.12 1lav n ALA 125 Cb 0.32 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1lav n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lav n GLY 126 N -0.10 -0.08 3.99 0.00 0.00 -1.02 -4.57 105.19 103.40 1lav n GLY 126 Ca 0.05 -1.74 -0.19 0.00 0.00 0.00 0.00 46.02 44.13 1lav n GLY 126 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1lav s HIS 127 N 0.43 3.03 0.39 1.61 3.76 -1.26 -4.96 115.29 118.28 1lav s HIS 127 Ca 0.00 -0.16 0.14 0.00 -0.15 0.00 0.00 55.06 54.89 1lav s HIS 127 Cb 0.00 -2.22 0.99 0.00 1.11 0.00 0.00 32.58 32.45 1lav s HIS 127 CO 0.00 -0.26 1.83 -1.35 -0.85 0.00 0.00 174.74 174.11 1lav h PRO 128 N 0.66 0.49 -0.00 8.40 0.11 -1.99 0.21 132.00 139.88 1lav h PRO 128 Ca -0.44 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 1lav h PRO 128 Cb 1.27 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1lav h PRO 128 CO 0.52 0.33 -0.53 0.93 -0.21 0.00 0.00 178.00 179.03 1lav h GLU 129 N 0.51 0.01 -0.16 1.05 3.07 -1.99 -1.14 114.58 115.93 1lav h GLU 129 Ca 0.50 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 59.28 1lav h GLU 129 Cb 1.11 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.02 1lav h GLU 129 CO -0.23 0.54 -0.20 -0.91 -1.40 0.00 0.00 179.01 176.80 1lav h ASN 130 N 0.01 0.45 -0.62 1.42 4.21 -0.97 -1.62 115.58 118.47 1lav h ASN 130 Ca -0.00 -0.51 0.06 0.00 1.21 0.00 0.00 56.30 57.06 1lav h ASN 130 Cb 0.94 -0.13 -0.05 0.00 -1.12 0.00 0.00 38.32 37.95 1lav h ASN 130 CO 0.07 0.87 0.32 -0.33 -1.29 0.00 0.00 177.43 177.07 1lav h GLU 131 N 0.05 0.58 -0.26 0.81 5.08 -1.31 -1.25 114.58 118.28 1lav h GLU 131 Ca 0.02 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1lav h GLU 131 Cb 0.76 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1lav h GLU 131 CO 0.05 0.39 -0.05 -0.09 -1.00 0.00 0.00 179.01 178.30 1lav h ARG 132 N 0.60 0.41 -0.57 2.33 2.43 -1.12 -1.77 114.38 116.69 1lav h ARG 132 Ca 0.28 -0.09 -0.07 0.00 -0.81 0.00 0.00 59.98 59.30 1lav h ARG 132 Cb 0.20 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 1lav h ARG 132 CO -0.19 0.48 0.09 0.00 -1.51 0.00 0.00 179.97 178.83 1lav h ASP 134 N 0.86 0.85 -0.64 0.00 3.58 -0.85 0.25 116.42 120.47 1lav h ASP 134 Ca 0.18 -0.06 -0.09 0.00 0.42 0.00 0.00 57.03 57.48 1lav h ASP 134 Cb 0.38 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 1lav h ASP 134 CO 0.01 0.66 0.07 -0.08 -2.88 0.00 0.00 179.24 177.02 1lav h GLU 135 N 0.97 1.09 -0.19 0.28 4.81 -1.01 -1.91 114.58 118.62 1lav h GLU 135 Ca 0.26 -0.31 -0.06 0.00 -0.13 0.00 0.00 59.36 59.12 1lav h GLU 135 Cb -0.04 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1lav h GLU 135 CO -0.05 1.02 -0.09 -0.07 -0.73 0.00 0.00 179.01 179.09 1lav h LEU 136 N 1.00 0.42 -0.35 1.64 3.38 -0.90 -1.53 115.31 118.96 1lav h LEU 136 Ca 0.19 -0.41 0.04 0.00 0.09 0.00 0.00 57.88 57.79 1lav h LEU 136 Cb 0.48 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1lav h LEU 136 CO 0.02 0.74 0.12 0.00 0.09 0.00 0.00 178.44 179.40 1lav h ALA 137 N 0.70 0.41 -0.05 1.53 0.00 -0.43 -1.11 119.26 120.30 1lav h ALA 137 Ca 0.04 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1lav h ALA 137 Cb 0.58 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1lav h ALA 137 CO 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.00 1lav h ARG 138 N 0.26 0.08 -0.81 0.00 3.08 -1.32 -2.79 114.38 112.88 1lav h ARG 138 Ca 0.16 -0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.29 1lav h ARG 138 Cb 0.15 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.11 1lav h ARG 138 CO -0.17 0.36 0.45 0.00 -1.07 0.00 0.00 179.97 179.54 1lav h ALA 139 N 0.71 1.15 -0.73 0.04 0.00 -1.03 -2.65 119.26 116.76 1lav h ALA 139 Ca 0.01 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1lav h ALA 139 Cb 0.33 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1lav h ALA 139 CO 0.00 0.06 0.35 0.00 0.00 0.00 0.00 179.25 179.66 1lav h ALA 140 N 1.46 0.94 0.00 0.00 0.00 -1.15 -2.81 119.26 117.70 1lav h ALA 140 Ca 0.40 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1lav h ALA 140 Cb 0.39 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1lav h ALA 140 CO -0.26 0.50 0.00 0.00 0.00 0.00 0.00 179.25 179.49 1lav h ALA 141 N 1.18 1.00 -0.00 0.00 0.00 -1.19 -1.43 119.26 118.81 1lav h ALA 141 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1lav h ALA 141 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1lav h ALA 141 CO -0.03 0.00 -0.37 -1.33 0.00 0.00 0.00 179.25 177.52 1lav n MET 142 N -2.57 0.47 -2.97 0.00 2.81 -1.06 -4.36 117.12 109.44 1lav n MET 142 Ca 0.01 -0.27 -0.15 0.00 -1.81 0.00 0.00 57.70 55.48 1lav n MET 142 Cb 0.22 -1.49 0.01 0.00 -0.71 0.00 0.00 33.22 31.25 1lav n MET 142 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1lav n ASN 143 N -1.03 -0.97 -4.73 7.83 4.05 -0.56 -5.12 115.26 114.74 1lav n ASN 143 Ca 0.09 -3.20 -0.42 0.00 0.45 0.00 0.00 54.58 51.51 1lav n ASN 143 Cb 0.34 0.60 -0.03 0.00 1.23 0.00 0.00 39.78 41.92 1lav n ASN 143 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1lav s PRO 144 N -0.76 4.27 -0.01 1.20 0.04 -1.08 -4.55 135.00 134.11 1lav s PRO 144 Ca 0.32 2.25 0.02 0.00 0.04 0.00 0.00 61.00 63.63 1lav s PRO 144 Cb 0.27 -3.17 -0.02 0.00 0.04 0.00 0.00 34.50 31.62 1lav s PRO 144 CO -0.11 -0.49 0.03 0.25 0.04 0.00 0.00 177.00 176.72 1lav n THR 145 N 3.42 0.03 -3.85 1.26 -2.24 0.43 -4.73 114.28 108.61 1lav n THR 145 Ca 0.11 -0.05 -0.21 0.00 -2.27 0.00 0.00 64.05 61.63 1lav n THR 145 Cb 0.40 0.02 -0.04 0.00 -2.10 0.00 0.00 70.33 68.62 1lav n THR 145 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1lav s LEU 146 N -3.43 3.57 -0.14 3.22 1.43 -0.68 -4.95 118.68 117.70 1lav s LEU 146 Ca -0.01 -0.52 -0.05 0.00 -1.03 0.00 0.00 54.13 52.52 1lav s LEU 146 Cb 0.01 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 1lav s LEU 146 CO 0.07 -0.34 0.04 -0.70 0.23 0.00 0.00 176.35 175.65 1lav s GLU 147 N -3.98 3.60 -0.77 1.70 2.12 -1.26 -1.43 118.70 118.67 1lav s GLU 147 Ca 0.40 -0.36 -0.16 0.00 0.36 0.00 0.00 54.97 55.22 1lav s GLU 147 Cb -0.06 -3.06 0.17 0.00 0.26 0.00 0.00 34.13 31.45 1lav s GLU 147 CO 0.26 0.45 0.80 0.34 -0.54 0.00 0.00 175.26 176.57 1lav s ASP 148 N -0.16 6.56 0.23 -1.70 -1.08 -1.26 -4.90 116.67 114.35 1lav s ASP 148 Ca 0.06 -2.21 -0.08 0.00 -0.52 0.00 0.00 52.55 49.80 1lav s ASP 148 Cb -0.12 -2.27 0.20 0.00 -1.46 0.00 0.00 42.92 39.27 1lav s ASP 148 CO 0.02 -0.81 1.87 0.74 0.52 0.00 0.00 175.17 177.50 1lav h THR 149 N 5.35 1.24 0.00 1.71 2.02 -1.97 -2.56 112.91 118.71 1lav h THR 149 Ca -0.01 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.63 1lav h THR 149 Cb 1.05 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1lav h THR 149 CO 0.93 0.26 0.00 0.61 0.37 0.00 0.00 175.52 177.68 1lav n GLY 150 N -1.21 -1.01 3.72 2.16 0.00 -1.26 -4.86 105.19 102.73 1lav n GLY 150 Ca 0.09 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1lav n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1lav s TYR 151 N -2.08 3.27 -0.03 1.61 5.04 -0.97 -4.97 117.35 119.22 1lav s TYR 151 Ca 0.44 1.06 0.03 0.00 -2.44 0.00 0.00 57.07 56.15 1lav s TYR 151 Cb 0.21 -3.63 0.00 0.00 0.35 0.00 0.00 41.96 38.89 1lav s TYR 151 CO 0.37 -2.14 -0.11 -0.65 -1.34 0.00 0.00 175.55 171.69 1lav s GLN 152 N 0.80 1.13 0.31 4.97 -0.21 -1.26 -4.99 119.66 120.42 1lav s GLN 152 Ca 0.62 -0.36 0.10 0.00 0.02 0.00 0.00 55.36 55.74 1lav s GLN 152 Cb -0.36 -1.03 0.49 0.00 1.00 0.00 0.00 33.01 33.11 1lav s GLN 152 CO 0.32 0.13 1.70 0.28 -2.12 0.00 0.00 175.29 175.60 1lav h VAL 153 N 5.40 1.36 0.00 1.09 2.07 -2.03 -3.43 116.25 120.70 1lav h VAL 153 Ca -0.33 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.46 1lav h VAL 153 Cb 1.17 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1lav h VAL 153 CO 0.48 0.50 0.00 -0.62 0.02 0.00 0.00 177.57 177.95 1lav n GLU 154 N -3.94 0.00 0.00 1.57 4.71 -1.26 -5.19 120.64 116.53 1lav n GLU 154 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.13 1lav n GLU 154 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.95 1lav n GLU 154 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50