#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lr3 s THR 2 N 0.00 5.12 -0.20 0.00 -4.23 -1.26 -0.68 115.64 114.39 1lr3 s THR 2 Ca 0.00 -0.04 -0.00 0.00 -1.18 0.00 0.00 61.69 60.47 1lr3 s THR 2 Cb 0.00 -3.26 0.05 0.00 1.34 0.00 0.00 72.50 70.63 1lr3 s THR 2 CO 0.00 0.53 -0.04 -0.36 -0.54 0.00 0.00 174.62 174.21 1lr3 s PHE 3 N -1.07 1.93 -0.26 3.99 0.40 -0.31 -1.44 117.98 121.22 1lr3 s PHE 3 Ca 0.18 -1.37 -0.21 0.00 -0.60 0.00 0.00 56.93 54.94 1lr3 s PHE 3 Cb -0.12 -1.40 -0.02 0.00 0.51 0.00 0.00 43.02 42.00 1lr3 s PHE 3 CO 0.07 -0.69 0.64 -2.00 0.70 0.00 0.00 175.22 173.94 1lr3 s GLU 4 N 1.56 4.11 -0.26 0.44 2.12 -0.16 -1.18 118.70 125.32 1lr3 s GLU 4 Ca -0.03 0.56 -0.09 0.00 0.36 0.00 0.00 54.97 55.78 1lr3 s GLU 4 Cb -0.17 -3.65 -0.04 0.00 0.26 0.00 0.00 34.13 30.53 1lr3 s GLU 4 CO -0.07 -0.43 0.12 0.42 -0.54 0.00 0.00 175.26 174.76 1lr3 s ILE 5 N 2.53 4.71 -0.09 -3.70 1.01 0.13 -0.75 121.20 125.04 1lr3 s ILE 5 Ca 0.27 -0.05 0.05 0.00 0.00 0.00 0.00 60.65 60.91 1lr3 s ILE 5 Cb -0.15 -3.23 -0.00 0.00 0.01 0.00 0.00 42.46 39.08 1lr3 s ILE 5 CO 0.09 0.29 -0.24 -0.69 0.00 0.00 0.00 174.94 174.39 1lr3 s VAL 6 N 1.67 2.07 -0.46 2.92 1.01 0.35 -0.30 120.40 127.67 1lr3 s VAL 6 Ca 0.07 -1.03 -0.13 0.00 0.00 0.00 0.00 61.98 60.88 1lr3 s VAL 6 Cb -0.16 -1.77 0.08 0.00 0.00 0.00 0.00 36.38 34.53 1lr3 s VAL 6 CO 0.07 0.56 0.35 0.21 0.00 0.00 0.00 175.10 176.29 1lr3 s ASN 7 N 0.20 5.97 0.00 3.32 2.47 -0.52 -0.33 114.94 126.04 1lr3 s ASN 7 Ca -0.15 -1.42 0.25 0.00 0.42 0.00 0.00 52.86 51.96 1lr3 s ASN 7 Cb -0.17 -2.11 0.53 0.00 -1.45 0.00 0.00 41.25 38.05 1lr3 s ASN 7 CO 0.07 -0.62 1.45 -1.14 -3.72 0.00 0.00 177.10 173.14 1lr3 n ARG 8 N 5.10 2.11 -1.69 0.43 0.63 -0.17 0.42 116.66 123.49 1lr3 n ARG 8 Ca -0.12 -1.62 -0.33 0.00 -0.92 0.00 0.00 57.85 54.86 1lr3 n ARG 8 Cb 0.43 -1.47 0.05 0.00 0.45 0.00 0.00 32.46 31.93 1lr3 n ARG 8 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1lr3 n SER 10 N -2.53 0.00 -4.51 0.00 3.41 -1.26 -4.29 113.62 104.44 1lr3 n SER 10 Ca 0.11 0.12 -0.25 0.00 -0.26 0.00 0.00 58.87 58.59 1lr3 n SER 10 Cb 0.52 -0.37 -0.10 0.00 -0.26 0.00 0.00 64.21 64.00 1lr3 n SER 10 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1lr3 s TYR 11 N -2.74 2.45 0.45 7.33 -0.85 -1.26 -4.79 117.35 117.94 1lr3 s TYR 11 Ca 0.21 -0.29 -0.23 0.00 -0.52 0.00 0.00 57.07 56.24 1lr3 s TYR 11 Cb 0.18 -1.14 -0.07 0.00 0.38 0.00 0.00 41.96 41.31 1lr3 s TYR 11 CO 0.46 0.59 1.17 0.99 -1.52 0.00 0.00 175.55 177.23 1lr3 s THR 12 N -2.04 3.09 0.09 -3.49 2.01 -1.26 -4.33 115.64 109.72 1lr3 s THR 12 Ca 0.26 0.83 0.02 0.00 0.31 0.00 0.00 61.69 63.12 1lr3 s THR 12 Cb -0.07 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 1lr3 s THR 12 CO 0.14 0.00 -0.07 0.68 -0.69 0.00 0.00 174.62 174.68 1lr3 s VAL 13 N -1.52 0.71 -0.34 3.82 -7.23 -0.73 -4.66 120.40 110.44 1lr3 s VAL 13 Ca 0.63 -1.84 -0.01 0.00 -1.81 0.00 0.00 61.98 58.95 1lr3 s VAL 13 Cb -0.29 -1.56 0.08 0.00 0.56 0.00 0.00 36.38 35.17 1lr3 s VAL 13 CO 0.35 -0.80 0.08 0.26 -0.31 0.00 0.00 175.10 174.68 1lr3 s TRP 14 N -3.31 3.47 0.60 2.82 0.51 0.20 -0.43 118.94 122.78 1lr3 s TRP 14 Ca 0.09 -2.28 -0.18 0.00 -2.12 0.00 0.00 56.10 51.61 1lr3 s TRP 14 Cb 0.03 -2.65 -0.03 0.00 -0.81 0.00 0.00 33.47 30.01 1lr3 s TRP 14 CO -0.04 -0.89 1.17 0.00 -0.51 0.00 0.00 176.95 176.68 1lr3 s ALA 15 N 1.15 2.55 0.02 0.98 0.00 -0.23 -1.27 121.76 124.94 1lr3 s ALA 15 Ca 0.02 0.90 0.00 0.00 0.00 0.00 0.00 51.96 52.89 1lr3 s ALA 15 Cb -0.21 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.49 1lr3 s ALA 15 CO -0.04 -1.11 -0.03 0.00 0.00 0.00 0.00 175.76 174.58 1lr3 s ALA 16 N -1.75 0.17 -0.11 0.00 0.00 -0.26 -1.80 121.76 118.00 1lr3 s ALA 16 Ca 0.75 -0.41 -0.05 0.00 0.00 0.00 0.00 51.96 52.25 1lr3 s ALA 16 Cb -0.27 0.07 0.06 0.00 0.00 0.00 0.00 23.12 22.98 1lr3 s ALA 16 CO 0.33 -0.08 0.24 0.00 0.00 0.00 0.00 175.76 176.25 1lr3 s ALA 17 N -0.93 -0.48 0.14 0.00 0.00 -0.18 -1.75 121.76 118.56 1lr3 s ALA 17 Ca -0.09 0.88 -0.17 0.00 0.00 0.00 0.00 51.96 52.58 1lr3 s ALA 17 Cb -0.07 -0.88 0.04 0.00 0.00 0.00 0.00 23.12 22.21 1lr3 s ALA 17 CO -0.00 -0.52 0.44 0.45 0.00 0.00 0.00 175.76 176.13 1lr3 s SER 18 N 2.11 -0.27 -0.16 0.00 0.15 -0.70 -1.55 113.70 113.27 1lr3 s SER 18 Ca -0.01 -0.33 0.18 0.00 0.70 0.00 0.00 55.95 56.49 1lr3 s SER 18 Cb -0.12 0.51 0.43 0.00 -1.71 0.00 0.00 66.02 65.13 1lr3 s SER 18 CO -0.08 -0.91 1.31 2.29 1.20 0.00 0.00 173.24 177.06 1lr3 n LYS 19 N -0.26 2.24 0.00 5.44 2.85 -0.45 -0.85 118.16 127.12 1lr3 n LYS 19 Ca -0.15 -2.75 0.00 0.00 -1.05 0.00 0.00 58.31 54.36 1lr3 n LYS 19 Cb 0.64 -1.71 0.00 0.00 -0.65 0.00 0.00 35.03 33.31 1lr3 n LYS 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1lr3 n GLY 20 N -0.90 2.53 0.19 2.58 0.00 -1.26 -4.61 105.19 103.72 1lr3 n GLY 20 Ca 0.19 -0.62 0.02 0.00 0.00 0.00 0.00 46.02 45.61 1lr3 n GLY 20 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1lr3 n ASP 21 N 1.49 2.25 -3.56 1.61 5.75 -1.26 -4.36 116.55 118.47 1lr3 n ASP 21 Ca 0.00 -1.97 -0.08 0.00 -0.01 0.00 0.00 54.79 52.73 1lr3 n ASP 21 Cb 0.00 -0.07 -0.03 0.00 -1.03 0.00 0.00 41.12 39.99 1lr3 n ASP 21 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1lr3 s ALA 22 N -0.97 -1.93 0.64 2.12 0.00 -0.76 -4.98 121.76 115.88 1lr3 s ALA 22 Ca 0.07 1.38 -0.11 0.00 0.00 0.00 0.00 51.96 53.30 1lr3 s ALA 22 Cb 0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 1lr3 s ALA 22 CO 0.05 -0.53 1.04 0.00 0.00 0.00 0.00 175.76 176.32 1lr3 s ALA 23 N -2.24 2.95 -0.18 0.00 0.00 -1.25 -1.35 121.76 119.69 1lr3 s ALA 23 Ca 0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 51.96 51.95 1lr3 s ALA 23 Cb -0.01 -3.12 -0.02 0.00 0.00 0.00 0.00 23.12 19.97 1lr3 s ALA 23 CO -0.05 -0.85 -0.03 -0.51 0.00 0.00 0.00 175.76 174.32 1lr3 s LEU 24 N -5.25 3.16 0.00 0.00 1.43 -0.60 -4.73 118.68 112.69 1lr3 s LEU 24 Ca 0.56 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 1lr3 s LEU 24 Cb -0.12 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.32 1lr3 s LEU 24 CO 0.53 0.09 0.00 -0.67 0.23 0.00 0.00 176.35 176.54 1lr3 n ASP 25 N 4.03 0.00 0.10 2.29 -0.08 -1.25 -0.92 116.55 120.72 1lr3 n ASP 25 Ca -0.17 0.00 0.09 0.00 -1.51 0.00 0.00 54.79 53.20 1lr3 n ASP 25 Cb 0.52 0.00 0.42 0.00 2.34 0.00 0.00 41.12 44.40 1lr3 n ASP 25 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1lr3 n ALA 26 N 7.63 1.42 0.00 -1.67 0.00 -1.26 -4.88 120.51 121.75 1lr3 n ALA 26 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1lr3 n ALA 26 Cb 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1lr3 n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lr3 n GLY 27 N -0.52 2.54 3.60 0.00 0.00 -0.10 -4.48 105.19 106.23 1lr3 n GLY 27 Ca 0.01 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 1lr3 n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1lr3 s GLY 28 N -0.94 -0.23 -0.13 -0.02 0.00 -1.26 -1.01 107.32 103.74 1lr3 s GLY 28 Ca 0.00 1.85 -0.30 0.00 0.00 0.00 0.00 44.72 46.27 1lr3 s GLY 28 CO 0.00 0.68 0.95 -1.60 0.00 0.00 0.00 173.10 173.13 1lr3 s ARG 29 N -2.04 0.68 0.21 2.90 3.52 -0.75 -4.57 118.95 118.89 1lr3 s ARG 29 Ca 0.08 0.09 -0.30 0.00 -0.13 0.00 0.00 55.73 55.47 1lr3 s ARG 29 Cb -0.01 0.32 -0.08 0.00 -1.56 0.00 0.00 34.95 33.62 1lr3 s ARG 29 CO -0.05 -0.23 1.06 -1.14 -0.81 0.00 0.00 175.30 174.14 1lr3 s GLN 30 N -1.41 4.66 -0.29 5.12 0.74 -1.26 -1.07 119.66 126.14 1lr3 s GLN 30 Ca -0.02 1.68 0.00 0.00 0.05 0.00 0.00 55.36 57.07 1lr3 s GLN 30 Cb -0.00 -3.27 0.09 0.00 1.10 0.00 0.00 33.01 30.93 1lr3 s GLN 30 CO 0.01 0.19 0.06 -0.51 -0.55 0.00 0.00 175.29 174.48 1lr3 s LEU 31 N -0.72 2.68 0.96 3.68 1.43 0.42 -4.91 118.68 122.23 1lr3 s LEU 31 Ca 0.47 -1.58 -0.12 0.00 -1.03 0.00 0.00 54.13 51.87 1lr3 s LEU 31 Cb -0.29 -1.04 0.17 0.00 0.03 0.00 0.00 46.19 45.06 1lr3 s LEU 31 CO 0.35 -0.37 1.09 0.20 0.23 0.00 0.00 176.35 177.86 1lr3 s ASN 32 N 1.46 2.88 -0.06 2.29 0.02 -1.26 -1.78 114.94 118.49 1lr3 s ASN 32 Ca 0.06 1.36 -0.34 0.00 -1.02 0.00 0.00 52.86 52.92 1lr3 s ASN 32 Cb -0.18 -2.03 -0.12 0.00 0.02 0.00 0.00 41.25 38.94 1lr3 s ASN 32 CO -0.17 -3.00 1.84 -0.24 0.02 0.00 0.00 177.10 175.56 1lr3 n SER 33 N -4.10 3.40 0.00 -1.22 2.88 -1.26 -1.52 113.62 111.80 1lr3 n SER 33 Ca 0.06 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 58.59 1lr3 n SER 33 Cb 0.56 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 1lr3 n SER 33 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1lr3 n GLY 34 N 4.28 1.75 3.79 0.46 0.00 0.17 -5.04 105.19 110.60 1lr3 n GLY 34 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 1lr3 n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lr3 s GLU 35 N -0.74 3.62 -0.03 1.61 2.02 -0.57 -4.73 118.70 119.87 1lr3 s GLU 35 Ca 0.00 1.43 0.06 0.00 0.02 0.00 0.00 54.97 56.49 1lr3 s GLU 35 Cb 0.00 -2.06 -0.01 0.00 0.10 0.00 0.00 34.13 32.16 1lr3 s GLU 35 CO 0.00 -0.59 -0.22 -1.12 0.02 0.00 0.00 175.26 173.35 1lr3 s SER 36 N -1.96 2.67 -0.09 -0.19 0.01 -1.26 -1.44 113.70 111.45 1lr3 s SER 36 Ca 0.69 -0.43 -0.00 0.00 1.31 0.00 0.00 55.95 57.52 1lr3 s SER 36 Cb -0.19 -0.52 0.02 0.00 0.21 0.00 0.00 66.02 65.55 1lr3 s SER 36 CO 0.23 0.24 -0.05 0.86 0.41 0.00 0.00 173.24 174.93 1lr3 s TRP 37 N -0.31 1.17 -0.22 2.43 -0.00 0.59 -4.96 118.94 117.64 1lr3 s TRP 37 Ca 0.03 -0.50 -0.08 0.00 -0.00 0.00 0.00 56.10 55.55 1lr3 s TRP 37 Cb -0.11 -1.03 -0.04 0.00 -0.00 0.00 0.00 33.47 32.29 1lr3 s TRP 37 CO 0.01 -0.40 0.09 0.99 -0.00 0.00 0.00 176.95 177.63 1lr3 s THR 38 N 1.60 4.75 0.31 5.86 2.01 -1.26 0.18 115.64 129.09 1lr3 s THR 38 Ca 0.01 -0.04 0.10 0.00 0.31 0.00 0.00 61.69 62.08 1lr3 s THR 38 Cb -0.13 -3.18 -0.05 0.00 0.01 0.00 0.00 72.50 69.15 1lr3 s THR 38 CO -0.05 0.39 -0.05 0.27 -0.69 0.00 0.00 174.62 174.49 1lr3 s ILE 39 N 0.95 2.73 -0.12 1.82 -4.36 -0.33 -4.95 121.20 116.93 1lr3 s ILE 39 Ca 0.05 -2.08 0.02 0.00 -0.26 0.00 0.00 60.65 58.37 1lr3 s ILE 39 Cb -0.14 -2.68 -0.01 0.00 1.25 0.00 0.00 42.46 40.89 1lr3 s ILE 39 CO 0.03 -0.28 -0.18 0.20 0.24 0.00 0.00 174.94 174.95 1lr3 s ASN 40 N -3.65 3.61 -0.13 4.36 -0.87 -1.26 -1.16 114.94 115.84 1lr3 s ASN 40 Ca 0.33 -0.43 -0.00 0.00 -1.57 0.00 0.00 52.86 51.19 1lr3 s ASN 40 Cb -0.02 -1.52 -0.01 0.00 -0.02 0.00 0.00 41.25 39.67 1lr3 s ASN 40 CO 0.18 0.16 -0.13 -0.69 -2.57 0.00 0.00 177.10 174.05 1lr3 s VAL 41 N 0.35 3.02 0.33 1.60 1.01 0.14 -3.85 120.40 123.00 1lr3 s VAL 41 Ca -0.14 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 60.88 1lr3 s VAL 41 Cb -0.17 -2.27 -0.11 0.00 0.00 0.00 0.00 36.38 33.84 1lr3 s VAL 41 CO 0.07 0.52 1.46 -0.70 0.00 0.00 0.00 175.10 176.45 1lr3 s GLU 42 N 0.40 4.19 0.67 2.72 2.12 -1.26 -0.81 118.70 126.73 1lr3 s GLU 42 Ca -0.10 2.45 -0.17 0.00 0.36 0.00 0.00 54.97 57.50 1lr3 s GLU 42 Cb -0.16 -3.03 -0.02 0.00 0.26 0.00 0.00 34.13 31.19 1lr3 s GLU 42 CO 0.05 -0.45 0.99 -2.30 -0.54 0.00 0.00 175.26 173.01 1lr3 n PRO 43 N 1.18 0.70 -0.62 4.30 -0.02 -1.26 -2.09 135.00 137.20 1lr3 n PRO 43 Ca 0.03 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1lr3 n PRO 43 Cb 0.40 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1lr3 n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lr3 n GLY 44 N 1.17 1.54 3.68 -1.23 0.00 -1.19 -4.99 105.19 104.17 1lr3 n GLY 44 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1lr3 n GLY 44 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1lr3 n THR 45 N -2.00 0.57 -4.61 2.61 -1.04 -0.89 -4.70 114.28 104.23 1lr3 n THR 45 Ca 0.00 -0.10 -0.33 0.00 -2.04 0.00 0.00 64.05 61.57 1lr3 n THR 45 Cb 0.00 -2.23 -0.13 0.00 -1.82 0.00 0.00 70.33 66.15 1lr3 n THR 45 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1lr3 s ASN 46 N 3.58 4.48 -0.74 8.00 2.47 -1.26 -0.23 114.94 131.24 1lr3 s ASN 46 Ca 0.85 -0.16 -0.04 0.00 0.42 0.00 0.00 52.86 53.94 1lr3 s ASN 46 Cb -0.45 -1.50 0.00 0.00 -1.45 0.00 0.00 41.25 37.85 1lr3 s ASN 46 CO 0.39 0.23 0.46 0.61 -3.72 0.00 0.00 177.10 175.08 1lr3 n GLY 47 N 3.08 0.13 3.87 1.21 0.00 -1.14 -4.96 105.19 107.38 1lr3 n GLY 47 Ca -0.18 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 1lr3 n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1lr3 s GLY 48 N -3.01 1.97 -0.01 -0.02 0.00 0.16 -4.53 107.32 101.87 1lr3 s GLY 48 Ca 0.23 -0.19 -0.06 0.00 0.00 0.00 0.00 44.72 44.70 1lr3 s GLY 48 CO 0.28 -0.00 0.12 0.54 0.00 0.00 0.00 173.10 174.04 1lr3 s LYS 49 N -3.78 0.38 -0.02 2.90 1.02 -0.03 -1.28 119.74 118.94 1lr3 s LYS 49 Ca 0.51 -0.28 0.04 0.00 0.02 0.00 0.00 55.97 56.26 1lr3 s LYS 49 Cb -0.10 0.16 -0.01 0.00 -0.52 0.00 0.00 37.83 37.36 1lr3 s LYS 49 CO 0.30 -0.08 -0.12 0.42 -0.92 0.00 0.00 175.35 174.95 1lr3 s ILE 50 N -1.03 0.99 0.25 2.17 1.01 -0.22 -1.72 121.20 122.65 1lr3 s ILE 50 Ca -0.11 -0.51 -0.14 0.00 0.00 0.00 0.00 60.65 59.89 1lr3 s ILE 50 Cb -0.06 -0.84 -0.00 0.00 0.01 0.00 0.00 42.46 41.57 1lr3 s ILE 50 CO 0.01 0.29 0.50 -1.66 0.00 0.00 0.00 174.94 174.08 1lr3 s TRP 51 N -0.14 0.29 0.07 3.97 -2.14 -0.72 -1.57 118.94 118.71 1lr3 s TRP 51 Ca 0.02 -0.66 0.03 0.00 2.66 0.00 0.00 56.10 58.15 1lr3 s TRP 51 Cb -0.06 0.25 -0.04 0.00 -3.10 0.00 0.00 33.47 30.51 1lr3 s TRP 51 CO 0.00 -1.01 0.08 0.00 -2.66 0.00 0.00 176.95 173.36 1lr3 s ALA 52 N -4.00 3.57 -0.02 2.67 0.00 -1.26 -1.11 121.76 121.61 1lr3 s ALA 52 Ca 0.21 -1.00 0.07 0.00 0.00 0.00 0.00 51.96 51.24 1lr3 s ALA 52 Cb -0.01 -1.45 -0.02 0.00 0.00 0.00 0.00 23.12 21.64 1lr3 s ALA 52 CO 0.08 0.75 -0.23 1.03 0.00 0.00 0.00 175.76 177.39 1lr3 s ARG 53 N -2.32 1.84 0.21 0.00 0.52 -0.40 -4.62 118.95 114.17 1lr3 s ARG 53 Ca 0.29 -0.82 0.11 0.00 -0.52 0.00 0.00 55.73 54.78 1lr3 s ARG 53 Cb -0.12 -1.78 -0.04 0.00 0.52 0.00 0.00 34.95 33.52 1lr3 s ARG 53 CO 0.21 0.49 -0.17 0.95 0.02 0.00 0.00 175.30 176.80 1lr3 s THR 54 N -0.54 2.74 -1.12 0.02 -4.23 -1.17 -0.63 115.64 110.71 1lr3 s THR 54 Ca 0.09 -1.97 -0.21 0.00 -1.18 0.00 0.00 61.69 58.42 1lr3 s THR 54 Cb -0.09 -2.36 -0.01 0.00 1.34 0.00 0.00 72.50 71.38 1lr3 s THR 54 CO -0.01 -0.19 0.78 0.47 -0.54 0.00 0.00 174.62 175.14 1lr3 n ASP 55 N -0.06 -5.34 -4.93 3.99 8.00 -1.26 -1.52 116.55 115.42 1lr3 n ASP 55 Ca -0.10 -1.01 -0.26 0.00 0.71 0.00 0.00 54.79 54.13 1lr3 n ASP 55 Cb 0.57 -3.29 -0.03 0.00 -0.02 0.00 0.00 41.12 38.35 1lr3 n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1lr3 s TYR 57 N -1.73 0.08 0.04 0.00 1.51 0.04 -4.98 117.35 112.30 1lr3 s TYR 57 Ca 0.34 0.20 0.05 0.00 -1.01 0.00 0.00 57.07 56.65 1lr3 s TYR 57 Cb -0.11 -0.41 -0.02 0.00 -0.11 0.00 0.00 41.96 41.31 1lr3 s TYR 57 CO 0.28 -0.16 -0.14 -0.06 -1.11 0.00 0.00 175.55 174.36 1lr3 s PHE 58 N 1.78 1.23 0.40 2.71 0.08 -1.26 -1.24 117.98 121.68 1lr3 s PHE 58 Ca 0.00 -0.36 -0.02 0.00 0.12 0.00 0.00 56.93 56.66 1lr3 s PHE 58 Cb -0.12 -0.73 0.08 0.00 -0.57 0.00 0.00 43.02 41.68 1lr3 s PHE 58 CO -0.03 0.04 0.55 -0.40 -0.10 0.00 0.00 175.22 175.28 1lr3 n ASP 59 N 1.83 0.52 0.29 1.36 5.68 0.15 -4.89 116.55 121.49 1lr3 n ASP 59 Ca -0.18 -1.49 0.13 0.00 -0.50 0.00 0.00 54.79 52.75 1lr3 n ASP 59 Cb 0.55 -0.38 0.84 0.00 -1.14 0.00 0.00 41.12 40.99 1lr3 n ASP 59 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1lr3 h ASP 60 N -0.46 0.00 0.36 -1.12 3.32 -2.02 -1.39 116.42 115.11 1lr3 h ASP 60 Ca -0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1lr3 h ASP 60 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1lr3 h ASP 60 CO 0.17 0.01 -0.15 -1.54 -1.72 0.00 0.00 179.24 176.01 1lr3 n SER 61 N -3.99 0.58 0.00 6.45 3.41 -1.26 -4.92 113.62 113.89 1lr3 n SER 61 Ca -0.03 -0.59 0.00 0.00 -0.26 0.00 0.00 58.87 57.99 1lr3 n SER 61 Cb 0.09 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1lr3 n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lr3 n GLY 62 N 1.31 0.80 3.39 5.00 0.00 -0.52 -4.97 105.19 110.19 1lr3 n GLY 62 Ca 0.13 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 1lr3 n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1lr3 s SER 63 N -2.62 3.51 0.00 1.61 0.01 -1.26 -0.85 113.70 114.10 1lr3 s SER 63 Ca 0.00 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 56.89 1lr3 s SER 63 Cb 0.00 -0.55 0.00 0.00 0.21 0.00 0.00 66.02 65.68 1lr3 s SER 63 CO 0.00 0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.58 1lr3 n GLY 64 N 2.23 -0.60 3.50 3.44 0.00 0.99 -0.67 105.19 114.08 1lr3 n GLY 64 Ca -0.17 0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 1lr3 n GLY 64 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1lr3 s ILE 65 N -0.38 0.00 0.07 -0.61 2.07 -0.37 -4.35 121.20 117.63 1lr3 s ILE 65 Ca 0.00 0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.29 1lr3 s ILE 65 Cb 0.00 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.56 1lr3 s ILE 65 CO 0.00 0.00 -0.13 0.00 -1.91 0.00 0.00 174.94 172.90 1lr3 h LYS 67 N 4.28 0.00 -4.29 0.00 1.57 -1.13 -3.39 116.57 113.61 1lr3 h LYS 67 Ca -0.40 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.08 1lr3 h LYS 67 Cb 1.19 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 33.24 1lr3 h LYS 67 CO 0.41 0.52 -0.74 0.95 -0.57 0.00 0.00 179.45 180.02 1lr3 s THR 68 N -3.42 0.38 -0.08 -0.16 -4.23 -1.21 -4.67 115.64 102.26 1lr3 s THR 68 Ca 0.00 -0.41 0.00 0.00 -1.18 0.00 0.00 61.69 60.10 1lr3 s THR 68 Cb 0.11 -0.36 0.00 0.00 1.34 0.00 0.00 72.50 73.58 1lr3 s THR 68 CO 0.73 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 175.39 1lr3 n GLY 69 N 2.58 0.37 3.65 3.99 0.00 -0.01 -3.02 105.19 112.76 1lr3 n GLY 69 Ca -0.15 -0.06 -0.47 0.00 0.00 0.00 0.00 46.02 45.34 1lr3 n GLY 69 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1lr3 n ASP 70 N -0.29 2.63 -3.94 1.61 2.03 -1.26 -3.72 116.55 113.61 1lr3 n ASP 70 Ca -0.01 1.11 -0.32 0.00 0.52 0.00 0.00 54.79 56.10 1lr3 n ASP 70 Cb 0.20 -1.38 -0.09 0.00 -0.72 0.00 0.00 41.12 39.14 1lr3 n ASP 70 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1lr3 n GLY 72 N 1.94 -0.29 2.45 0.00 0.00 -1.26 -2.83 105.19 105.20 1lr3 n GLY 72 Ca 0.22 -0.20 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 1lr3 n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lr3 n GLY 73 N -1.02 1.40 3.67 -0.02 0.00 -1.26 -4.94 105.19 103.03 1lr3 n GLY 73 Ca -0.19 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 1lr3 n GLY 73 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lr3 s LEU 74 N -3.80 3.47 0.00 0.99 1.43 -1.13 -0.00 118.68 119.65 1lr3 s LEU 74 Ca 0.00 -0.02 -0.23 0.00 -1.03 0.00 0.00 54.13 52.86 1lr3 s LEU 74 Cb 0.00 -1.98 -0.18 0.00 0.03 0.00 0.00 46.19 44.06 1lr3 s LEU 74 CO 0.00 0.29 1.27 0.25 0.23 0.00 0.00 176.35 178.39 1lr3 h LEU 75 N 4.42 0.23 -8.04 1.79 5.85 -1.34 -3.38 115.31 114.83 1lr3 h LEU 75 Ca -0.49 -0.53 -0.70 0.00 0.84 0.00 0.00 57.88 57.00 1lr3 h LEU 75 Cb 1.18 -0.06 -0.19 0.00 0.37 0.00 0.00 40.66 41.95 1lr3 h LEU 75 CO 0.57 0.71 0.46 -0.13 -0.34 0.00 0.00 178.44 179.70 1lr3 s ARG 76 N -4.10 3.38 0.30 1.25 0.52 -1.26 -3.99 118.95 115.04 1lr3 s ARG 76 Ca -0.15 -1.64 -0.30 0.00 -0.52 0.00 0.00 55.73 53.12 1lr3 s ARG 76 Cb 0.03 -4.55 -0.12 0.00 0.52 0.00 0.00 34.95 30.83 1lr3 s ARG 76 CO 0.72 -1.63 1.58 0.00 0.02 0.00 0.00 175.30 176.00 1lr3 n LYS 78 N 2.00 2.94 -4.41 0.00 4.01 -1.26 -4.04 118.16 117.40 1lr3 n LYS 78 Ca 0.08 -0.01 -0.20 0.00 -0.51 0.00 0.00 58.31 57.67 1lr3 n LYS 78 Cb 0.37 -0.85 -0.10 0.00 -0.51 0.00 0.00 35.03 33.94 1lr3 n LYS 78 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1lr3 s ARG 79 N -1.72 1.62 0.72 1.97 1.81 -1.26 -1.82 118.95 120.26 1lr3 s ARG 79 Ca -0.00 -1.91 -0.12 0.00 -1.72 0.00 0.00 55.73 51.98 1lr3 s ARG 79 Cb 0.02 -0.56 0.03 0.00 -0.45 0.00 0.00 34.95 33.98 1lr3 s ARG 79 CO 0.10 -0.29 1.09 -0.06 -0.68 0.00 0.00 175.30 175.45 1lr3 s PHE 80 N -3.46 2.68 0.46 -0.53 0.08 -1.26 -4.85 117.98 111.10 1lr3 s PHE 80 Ca 0.35 1.54 -0.05 0.00 0.12 0.00 0.00 56.93 58.89 1lr3 s PHE 80 Cb 0.07 -3.06 -0.04 0.00 -0.57 0.00 0.00 43.02 39.43 1lr3 s PHE 80 CO 0.15 -1.66 0.75 0.20 -0.10 0.00 0.00 175.22 174.56 1lr3 s GLY 81 N -3.20 1.50 0.01 4.36 0.00 -1.26 -4.62 107.32 104.10 1lr3 s GLY 81 Ca 0.62 -0.55 -0.30 0.00 0.00 0.00 0.00 44.72 44.50 1lr3 s GLY 81 CO 0.51 -0.39 1.21 -1.60 0.00 0.00 0.00 173.10 172.82 1lr3 s ARG 82 N -4.63 4.39 0.80 2.90 3.52 0.35 -4.86 118.95 121.43 1lr3 s ARG 82 Ca 0.46 1.73 -0.14 0.00 -0.13 0.00 0.00 55.73 57.66 1lr3 s ARG 82 Cb -0.10 -3.46 0.07 0.00 -1.56 0.00 0.00 34.95 29.90 1lr3 s ARG 82 CO 0.43 -0.35 1.14 -2.30 -0.81 0.00 0.00 175.30 173.41 1lr3 n PRO 83 N 4.57 0.21 -2.69 5.12 -0.02 -1.26 -0.83 135.00 140.10 1lr3 n PRO 83 Ca 0.10 0.14 -0.41 0.00 -2.02 0.00 0.00 63.50 61.32 1lr3 n PRO 83 Cb 0.46 -2.39 -0.05 0.00 -0.02 0.00 0.00 33.50 31.51 1lr3 n PRO 83 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1lr3 s PRO 84 N -3.99 4.72 -0.15 0.52 0.04 -1.26 -4.67 135.00 130.22 1lr3 s PRO 84 Ca 0.73 1.51 -0.04 0.00 0.04 0.00 0.00 61.00 63.24 1lr3 s PRO 84 Cb -0.30 -3.33 0.07 0.00 0.04 0.00 0.00 34.50 30.98 1lr3 s PRO 84 CO 0.51 0.26 0.25 0.95 0.04 0.00 0.00 177.00 179.01 1lr3 s THR 85 N -0.35 -0.38 0.22 1.26 -4.23 -0.56 -3.92 115.64 107.68 1lr3 s THR 85 Ca 0.46 0.18 -0.30 0.00 -1.18 0.00 0.00 61.69 60.84 1lr3 s THR 85 Cb -0.25 -0.50 -0.09 0.00 1.34 0.00 0.00 72.50 73.00 1lr3 s THR 85 CO 0.31 0.03 1.30 -0.89 -0.54 0.00 0.00 174.62 174.84 1lr3 s THR 86 N 2.39 3.14 -0.12 3.99 2.01 -1.21 -4.35 115.64 121.49 1lr3 s THR 86 Ca 0.03 0.97 0.03 0.00 0.31 0.00 0.00 61.69 63.04 1lr3 s THR 86 Cb -0.13 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.76 1lr3 s THR 86 CO -0.09 0.16 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.01 1lr3 s LEU 87 N -0.38 2.14 -0.27 4.42 1.43 -0.68 -4.50 118.68 120.85 1lr3 s LEU 87 Ca 0.55 -0.56 -0.16 0.00 -1.03 0.00 0.00 54.13 52.94 1lr3 s LEU 87 Cb -0.37 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 1lr3 s LEU 87 CO 0.40 0.13 0.42 0.00 0.23 0.00 0.00 176.35 177.53 1lr3 s ALA 88 N 0.50 3.57 0.02 4.21 0.00 -0.61 -0.72 121.76 128.74 1lr3 s ALA 88 Ca -0.14 -0.75 0.09 0.00 0.00 0.00 0.00 51.96 51.15 1lr3 s ALA 88 Cb -0.17 -2.77 -0.03 0.00 0.00 0.00 0.00 23.12 20.15 1lr3 s ALA 88 CO 0.05 -0.69 -0.26 -1.21 0.00 0.00 0.00 175.76 173.65 1lr3 s GLU 89 N 2.15 1.88 -0.03 0.00 2.02 0.02 -1.05 118.70 123.69 1lr3 s GLU 89 Ca 0.17 -1.03 -0.25 0.00 0.02 0.00 0.00 54.97 53.88 1lr3 s GLU 89 Cb -0.16 -1.96 0.05 0.00 0.10 0.00 0.00 34.13 32.16 1lr3 s GLU 89 CO 0.10 0.52 0.55 -0.59 0.02 0.00 0.00 175.26 175.85 1lr3 s PHE 90 N -0.73 -0.48 -0.07 1.61 -0.71 -0.40 -1.61 117.98 115.59 1lr3 s PHE 90 Ca 0.11 0.78 -0.01 0.00 -1.04 0.00 0.00 56.93 56.77 1lr3 s PHE 90 Cb -0.10 0.31 0.03 0.00 -1.21 0.00 0.00 43.02 42.04 1lr3 s PHE 90 CO 0.01 -0.55 -0.01 -1.12 -1.34 0.00 0.00 175.22 172.21 1lr3 s SER 91 N -1.33 1.49 0.03 1.98 0.01 -0.44 -0.67 113.70 114.78 1lr3 s SER 91 Ca -0.11 -0.11 0.02 0.00 1.31 0.00 0.00 55.95 57.06 1lr3 s SER 91 Cb -0.02 -0.47 -0.04 0.00 0.21 0.00 0.00 66.02 65.70 1lr3 s SER 91 CO 0.07 -0.16 0.04 -0.76 0.41 0.00 0.00 173.24 172.84 1lr3 s LEU 92 N 1.73 3.69 -1.19 2.44 1.43 0.68 -0.75 118.68 126.71 1lr3 s LEU 92 Ca 0.02 0.01 -0.16 0.00 -1.03 0.00 0.00 54.13 52.97 1lr3 s LEU 92 Cb -0.13 -2.24 -0.01 0.00 0.03 0.00 0.00 46.19 43.84 1lr3 s LEU 92 CO -0.04 0.23 0.73 0.59 0.23 0.00 0.00 176.35 178.09 1lr3 n ASN 93 N 0.96 -4.19 -4.24 2.29 3.02 -1.04 -3.14 115.26 108.91 1lr3 n ASN 93 Ca -0.12 -0.99 -0.42 0.00 -0.03 0.00 0.00 54.58 53.01 1lr3 n ASN 93 Cb 0.52 -3.42 -0.07 0.00 -0.61 0.00 0.00 39.78 36.20 1lr3 n ASN 93 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1lr3 s GLN 94 N -6.04 2.62 -1.35 3.52 -1.52 0.76 -4.50 119.66 113.15 1lr3 s GLN 94 Ca 0.36 -1.75 -0.02 0.00 -1.95 0.00 0.00 55.36 52.00 1lr3 s GLN 94 Cb -0.13 -4.03 0.01 0.00 -0.22 0.00 0.00 33.01 28.64 1lr3 s GLN 94 CO 0.86 -1.23 0.69 0.66 -0.25 0.00 0.00 175.29 176.02 1lr3 n TYR 95 N 5.00 -1.92 -0.28 0.91 4.01 -1.26 -2.10 117.16 121.52 1lr3 n TYR 95 Ca -0.10 0.83 0.00 0.00 -0.16 0.00 0.00 57.90 58.48 1lr3 n TYR 95 Cb 0.41 -4.25 0.00 0.00 -0.31 0.00 0.00 39.34 35.19 1lr3 n TYR 95 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1lr3 n GLY 96 N -1.64 1.72 3.34 2.72 0.00 -1.26 -5.03 105.19 105.03 1lr3 n GLY 96 Ca -0.26 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.58 1lr3 n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lr3 s LYS 97 N -0.25 1.31 0.03 1.61 -0.14 -0.89 -2.16 119.74 119.25 1lr3 s LYS 97 Ca 0.00 -1.62 0.02 0.00 -1.36 0.00 0.00 55.97 53.02 1lr3 s LYS 97 Cb 0.00 -0.89 -0.04 0.00 -1.68 0.00 0.00 37.83 35.22 1lr3 s LYS 97 CO 0.00 0.06 0.02 -0.51 -0.76 0.00 0.00 175.35 174.16 1lr3 s ASP 98 N -3.30 5.19 -0.08 2.83 1.11 0.58 -0.17 116.67 122.82 1lr3 s ASP 98 Ca 0.24 -0.04 0.01 0.00 0.18 0.00 0.00 52.55 52.93 1lr3 s ASP 98 Cb 0.02 -1.34 0.02 0.00 1.07 0.00 0.00 42.92 42.69 1lr3 s ASP 98 CO 0.07 0.24 -0.08 -0.31 1.18 0.00 0.00 175.17 176.26 1lr3 s TYR 99 N -1.19 1.29 0.11 4.23 2.02 0.07 -0.31 117.35 123.57 1lr3 s TYR 99 Ca 0.23 -0.54 0.05 0.00 -0.37 0.00 0.00 57.07 56.44 1lr3 s TYR 99 Cb -0.12 -1.05 -0.04 0.00 -0.40 0.00 0.00 41.96 40.35 1lr3 s TYR 99 CO 0.14 -0.37 -0.12 0.96 -1.57 0.00 0.00 175.55 174.59 1lr3 s ILE 100 N 1.25 1.15 0.18 2.71 -4.36 -0.68 -1.32 121.20 120.12 1lr3 s ILE 100 Ca -0.04 -1.67 -0.24 0.00 -0.26 0.00 0.00 60.65 58.43 1lr3 s ILE 100 Cb -0.14 -1.44 0.06 0.00 1.25 0.00 0.00 42.46 42.19 1lr3 s ILE 100 CO -0.03 -0.48 0.92 1.51 0.24 0.00 0.00 174.94 177.10 1lr3 s ASP 101 N -2.43 -0.19 -0.00 4.36 1.47 -0.63 -0.29 116.67 118.95 1lr3 s ASP 101 Ca 0.07 -0.44 0.08 0.00 1.18 0.00 0.00 52.55 53.44 1lr3 s ASP 101 Cb -0.04 0.53 -0.02 0.00 -0.34 0.00 0.00 42.92 43.05 1lr3 s ASP 101 CO 0.02 -0.98 -0.24 -0.63 0.68 0.00 0.00 175.17 174.01 1lr3 s ILE 102 N -3.40 2.24 -0.01 2.11 1.01 -1.26 -0.80 121.20 121.09 1lr3 s ILE 102 Ca 0.12 -1.16 0.04 0.00 0.00 0.00 0.00 60.65 59.65 1lr3 s ILE 102 Cb -0.02 -1.82 -0.01 0.00 0.01 0.00 0.00 42.46 40.61 1lr3 s ILE 102 CO 0.03 0.50 -0.12 -0.55 0.00 0.00 0.00 174.94 174.80 1lr3 s SER 103 N -0.86 1.45 -0.03 3.58 0.15 0.10 -1.59 113.70 116.50 1lr3 s SER 103 Ca 0.11 -0.22 0.11 0.00 0.70 0.00 0.00 55.95 56.65 1lr3 s SER 103 Cb -0.10 -0.18 0.33 0.00 -1.71 0.00 0.00 66.02 64.36 1lr3 s SER 103 CO 0.00 0.15 1.27 0.59 1.20 0.00 0.00 173.24 176.45 1lr3 n ASN 104 N 2.81 3.03 0.27 5.45 5.03 0.28 -1.69 115.26 130.44 1lr3 n ASN 104 Ca -0.14 -2.15 0.10 0.00 0.87 0.00 0.00 54.58 53.26 1lr3 n ASN 104 Cb 0.56 -0.27 0.72 0.00 -1.02 0.00 0.00 39.78 39.77 1lr3 n ASN 104 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 1lr3 h ILE 105 N 1.92 0.83 -0.54 2.41 2.04 -1.81 -0.79 117.51 121.57 1lr3 h ILE 105 Ca 0.00 -0.13 -0.24 0.00 1.00 0.00 0.00 64.86 65.49 1lr3 h ILE 105 Cb 0.83 1.07 -0.14 0.00 -0.74 0.00 0.00 36.82 37.84 1lr3 h ILE 105 CO 0.03 0.03 0.15 0.29 0.00 0.00 0.00 178.15 178.66 1lr3 n LYS 106 N -4.21 2.33 0.00 2.37 4.76 -1.26 -4.74 118.16 117.41 1lr3 n LYS 106 Ca -0.03 -3.09 0.00 0.00 -2.87 0.00 0.00 58.31 52.33 1lr3 n LYS 106 Cb 0.12 -1.96 0.00 0.00 -1.84 0.00 0.00 35.03 31.35 1lr3 n LYS 106 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1lr3 n GLY 107 N -0.92 -2.40 2.82 0.72 0.00 -0.30 -1.50 105.19 103.61 1lr3 n GLY 107 Ca 0.39 -1.66 -0.14 0.00 0.00 0.00 0.00 46.02 44.61 1lr3 n GLY 107 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1lr3 s PHE 108 N -0.45 0.07 0.00 1.61 2.19 -0.15 -3.36 117.98 117.89 1lr3 s PHE 108 Ca 0.00 0.06 0.00 0.00 0.33 0.00 0.00 56.93 57.32 1lr3 s PHE 108 Cb 0.00 -0.18 0.00 0.00 -1.31 0.00 0.00 43.02 41.53 1lr3 s PHE 108 CO 0.00 -0.06 0.00 0.27 1.83 0.00 0.00 175.22 177.26 1lr3 n ASN 109 N 3.72 2.56 -3.97 6.13 2.04 -1.26 -0.91 115.26 123.57 1lr3 n ASN 109 Ca -0.21 0.00 -0.18 0.00 -0.44 0.00 0.00 54.58 53.75 1lr3 n ASN 109 Cb 0.54 0.00 -0.15 0.00 -2.53 0.00 0.00 39.78 37.64 1lr3 n ASN 109 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1lr3 s VAL 110 N -1.78 0.55 0.55 3.53 1.01 -1.26 -4.84 120.40 118.16 1lr3 s VAL 110 Ca 0.00 -0.26 -0.20 0.00 0.00 0.00 0.00 61.98 61.51 1lr3 s VAL 110 Cb 0.00 -0.48 -0.05 0.00 0.00 0.00 0.00 36.38 35.85 1lr3 s VAL 110 CO 0.00 0.17 1.21 -2.16 0.00 0.00 0.00 175.10 174.32 1lr3 s PRO 111 N 0.04 3.22 -0.04 2.72 0.04 -1.26 -4.66 135.00 135.06 1lr3 s PRO 111 Ca -0.00 1.86 -0.15 0.00 0.04 0.00 0.00 61.00 62.74 1lr3 s PRO 111 Cb -0.05 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 32.42 1lr3 s PRO 111 CO -0.00 -1.02 0.34 1.41 0.04 0.00 0.00 177.00 177.77 1lr3 s MET 112 N -3.12 0.64 -0.05 4.56 0.00 -0.40 -0.84 119.30 120.08 1lr3 s MET 112 Ca 0.73 -0.03 0.06 0.00 0.00 0.00 0.00 55.69 56.45 1lr3 s MET 112 Cb -0.31 0.29 -0.01 0.00 0.00 0.00 0.00 34.83 34.80 1lr3 s MET 112 CO 0.35 -0.17 -0.23 1.21 0.00 0.00 0.00 175.02 176.19 1lr3 s ASN 113 N -1.02 2.82 -0.31 1.11 2.47 -0.18 -1.20 114.94 118.63 1lr3 s ASN 113 Ca -0.11 -0.47 0.01 0.00 0.42 0.00 0.00 52.86 52.71 1lr3 s ASN 113 Cb -0.04 -0.79 0.09 0.00 -1.45 0.00 0.00 41.25 39.06 1lr3 s ASN 113 CO 0.04 0.22 0.07 0.12 -3.72 0.00 0.00 177.10 173.82 1lr3 s PHE 114 N -0.10 2.34 0.13 0.43 5.36 0.06 -0.54 117.98 125.67 1lr3 s PHE 114 Ca -0.04 -2.07 0.06 0.00 -0.96 0.00 0.00 56.93 53.92 1lr3 s PHE 114 Cb -0.13 -2.02 -0.04 0.00 -0.34 0.00 0.00 43.02 40.48 1lr3 s PHE 114 CO 0.03 -0.88 -0.15 -1.12 -1.46 0.00 0.00 175.22 171.65 1lr3 s SER 115 N 1.40 2.15 0.50 6.13 0.01 -0.66 -1.08 113.70 122.15 1lr3 s SER 115 Ca 0.08 -0.83 -0.18 0.00 1.31 0.00 0.00 55.95 56.34 1lr3 s SER 115 Cb -0.18 -0.09 -0.08 0.00 0.21 0.00 0.00 66.02 65.88 1lr3 s SER 115 CO -0.18 -0.12 0.99 -2.16 0.41 0.00 0.00 173.24 172.18 1lr3 s PRO 116 N -2.73 3.93 0.00 12.44 0.04 -1.26 -0.18 135.00 147.24 1lr3 s PRO 116 Ca 0.11 1.05 0.15 0.00 0.04 0.00 0.00 61.00 62.35 1lr3 s PRO 116 Cb -0.05 -2.13 0.16 0.00 0.04 0.00 0.00 34.50 32.52 1lr3 s PRO 116 CO 0.04 -0.29 1.03 0.25 0.04 0.00 0.00 177.00 178.07 1lr3 n THR 117 N -1.37 0.14 -4.46 1.26 -2.24 0.64 -4.76 114.28 103.50 1lr3 n THR 117 Ca 0.07 -0.57 -0.27 0.00 -2.27 0.00 0.00 64.05 61.01 1lr3 n THR 117 Cb 0.54 1.19 -0.10 0.00 -2.10 0.00 0.00 70.33 69.87 1lr3 n THR 117 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1lr3 s THR 118 N -1.21 2.18 0.75 4.28 -4.23 -1.24 -4.96 115.64 111.20 1lr3 s THR 118 Ca 0.19 -1.95 -0.12 0.00 -1.18 0.00 0.00 61.69 58.64 1lr3 s THR 118 Cb 0.13 -2.94 0.04 0.00 1.34 0.00 0.00 72.50 71.08 1lr3 s THR 118 CO 0.19 -0.05 1.11 -0.13 -0.54 0.00 0.00 174.62 175.20 1lr3 s ARG 119 N -3.75 2.48 0.00 3.99 0.52 -1.26 -4.62 118.95 116.30 1lr3 s ARG 119 Ca 0.36 0.48 0.00 0.00 -0.52 0.00 0.00 55.73 56.05 1lr3 s ARG 119 Cb 0.06 -1.98 0.00 0.00 0.52 0.00 0.00 34.95 33.56 1lr3 s ARG 119 CO 0.19 -1.31 0.00 0.41 0.02 0.00 0.00 175.30 174.61 1lr3 n GLY 120 N -2.73 0.91 3.80 -3.53 0.00 -1.26 -4.68 105.19 97.70 1lr3 n GLY 120 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 1lr3 n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lr3 s ARG 122 N -3.04 2.60 0.62 0.00 1.04 -1.26 -4.82 118.95 114.09 1lr3 s ARG 122 Ca 0.14 -1.45 0.03 0.00 -1.04 0.00 0.00 55.73 53.42 1lr3 s ARG 122 Cb -0.03 -2.41 0.09 0.00 -2.04 0.00 0.00 34.95 30.56 1lr3 s ARG 122 CO 0.04 -0.08 0.86 0.20 -0.04 0.00 0.00 175.30 176.28 1lr3 s GLY 123 N -4.08 1.79 0.14 3.88 0.00 -1.26 -4.66 107.32 103.12 1lr3 s GLY 123 Ca 0.45 -1.72 0.07 0.00 0.00 0.00 0.00 44.72 43.53 1lr3 s GLY 123 CO 0.27 -1.28 -0.17 -1.34 0.00 0.00 0.00 173.10 170.59 1lr3 s VAL 124 N -2.88 1.59 -0.08 1.40 -7.23 -0.25 -4.98 120.40 107.99 1lr3 s VAL 124 Ca 0.62 -1.80 -0.16 0.00 -1.81 0.00 0.00 61.98 58.84 1lr3 s VAL 124 Cb -0.07 -1.68 0.03 0.00 0.56 0.00 0.00 36.38 35.22 1lr3 s VAL 124 CO 0.41 -0.34 0.38 -0.60 -0.31 0.00 0.00 175.10 174.63 1lr3 s ARG 125 N -2.67 0.61 -0.33 4.82 3.52 -1.26 -0.76 118.95 122.88 1lr3 s ARG 125 Ca 0.12 0.17 -0.01 0.00 -0.13 0.00 0.00 55.73 55.87 1lr3 s ARG 125 Cb -0.06 0.28 0.13 0.00 -1.56 0.00 0.00 34.95 33.74 1lr3 s ARG 125 CO 0.05 -0.14 0.19 0.00 -0.81 0.00 0.00 175.30 174.59 1lr3 n ALA 127 N 4.48 2.02 -1.33 0.00 0.00 -1.26 -1.28 120.51 123.14 1lr3 n ALA 127 Ca 0.06 -1.21 -0.30 0.00 0.00 0.00 0.00 53.44 51.98 1lr3 n ALA 127 Cb 0.39 -0.05 0.10 0.00 0.00 0.00 0.00 19.45 19.89 1lr3 n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lr3 s ALA 128 N -1.23 2.08 -1.44 0.00 0.00 -1.26 -4.90 121.76 115.00 1lr3 s ALA 128 Ca 0.04 0.05 -0.11 0.00 0.00 0.00 0.00 51.96 51.94 1lr3 s ALA 128 Cb 0.04 -3.21 0.05 0.00 0.00 0.00 0.00 23.12 20.00 1lr3 s ALA 128 CO 0.00 -1.88 2.32 -3.47 0.00 0.00 0.00 175.76 172.73 1lr3 n ASP 129 N -3.58 5.50 -0.15 0.00 2.03 -1.26 -4.71 116.55 114.39 1lr3 n ASP 129 Ca 0.08 -2.87 -0.02 0.00 0.52 0.00 0.00 54.79 52.49 1lr3 n ASP 129 Cb 0.54 -1.57 0.20 0.00 -0.72 0.00 0.00 41.12 39.57 1lr3 n ASP 129 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1lr3 h ILE 130 N 3.62 1.22 -0.35 5.18 2.04 -1.96 -1.40 117.51 125.85 1lr3 h ILE 130 Ca 0.61 -0.71 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 1lr3 h ILE 130 Cb 0.53 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1lr3 h ILE 130 CO 1.78 0.28 0.02 0.58 0.00 0.00 0.00 178.15 180.80 1lr3 h VAL 131 N 0.85 1.25 -0.83 1.67 2.07 -1.88 0.78 116.25 120.16 1lr3 h VAL 131 Ca 0.20 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 1lr3 h VAL 131 Cb 0.20 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1lr3 h VAL 131 CO -0.01 0.31 0.38 1.23 0.02 0.00 0.00 177.57 179.49 1lr3 h GLY 132 N 0.42 1.29 -0.06 2.17 0.00 -1.89 -2.95 103.07 102.05 1lr3 h GLY 132 Ca 0.10 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 46.77 1lr3 h GLY 132 CO 0.01 0.62 -0.14 -1.06 0.00 0.00 0.00 176.54 175.98 1lr3 n GLN 133 N -4.30 1.21 -1.56 4.80 1.13 -0.55 -4.99 117.38 113.12 1lr3 n GLN 133 Ca 0.08 -0.70 -0.51 0.00 -1.94 0.00 0.00 57.00 53.93 1lr3 n GLN 133 Cb 0.16 -1.49 -0.05 0.00 0.11 0.00 0.00 30.24 28.97 1lr3 n GLN 133 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1lr3 s PRO 135 N -0.12 3.74 0.26 0.00 0.02 -1.26 -4.81 135.00 132.82 1lr3 s PRO 135 Ca 0.78 2.43 -0.05 0.00 0.02 0.00 0.00 61.00 64.19 1lr3 s PRO 135 Cb -0.95 -2.69 0.50 0.00 0.02 0.00 0.00 34.50 31.38 1lr3 s PRO 135 CO 0.52 -0.78 1.64 0.00 -0.33 0.00 0.00 177.00 178.04 1lr3 h ALA 136 N 2.41 0.91 0.00 -1.55 0.00 -1.98 -0.72 119.26 118.32 1lr3 h ALA 136 Ca -0.51 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1lr3 h ALA 136 Cb 1.26 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1lr3 h ALA 136 CO 0.61 -0.43 0.00 0.87 0.00 0.00 0.00 179.25 180.30 1lr3 h LYS 137 N 0.13 0.00 0.00 0.00 1.57 -2.02 -2.92 116.57 113.33 1lr3 h LYS 137 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 1lr3 h LYS 137 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1lr3 h LYS 137 CO -0.67 0.00 -0.99 1.28 -0.57 0.00 0.00 179.45 178.50 1lr3 n LEU 138 N -2.50 0.95 -4.72 2.94 4.77 -0.31 -4.97 117.00 113.16 1lr3 n LEU 138 Ca 0.02 -0.46 -0.42 0.00 -0.03 0.00 0.00 56.01 55.12 1lr3 n LEU 138 Cb 0.25 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1lr3 n LEU 138 CO 0.22 0.24 1.37 -0.54 -1.33 0.00 0.00 177.39 177.34 1lr3 s LYS 139 N -3.01 4.12 -0.25 3.23 1.02 -1.03 -0.46 119.74 123.36 1lr3 s LYS 139 Ca 0.08 2.61 -0.18 0.00 0.02 0.00 0.00 55.97 58.50 1lr3 s LYS 139 Cb 0.16 -3.07 -0.03 0.00 -0.52 0.00 0.00 37.83 34.37 1lr3 s LYS 139 CO 0.86 -0.75 0.51 0.00 -0.92 0.00 0.00 175.35 175.05 1lr3 s ALA 140 N 1.09 3.58 0.40 5.17 0.00 -0.68 -4.83 121.76 126.49 1lr3 s ALA 140 Ca 0.74 -0.56 0.13 0.00 0.00 0.00 0.00 51.96 52.27 1lr3 s ALA 140 Cb -0.50 -2.86 0.96 0.00 0.00 0.00 0.00 23.12 20.72 1lr3 s ALA 140 CO 0.33 -0.66 1.90 -1.35 0.00 0.00 0.00 175.76 175.99 1lr3 h PRO 141 N 7.87 0.51 0.00 0.00 0.11 -1.93 0.41 132.00 138.97 1lr3 h PRO 141 Ca -0.30 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1lr3 h PRO 141 Cb 1.14 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1lr3 h PRO 141 CO 0.72 0.33 0.00 0.41 -0.21 0.00 0.00 178.00 179.25 1lr3 n GLY 142 N -1.49 -1.06 0.00 -0.55 0.00 -1.26 -4.97 105.19 95.86 1lr3 n GLY 142 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1lr3 n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lr3 n GLY 143 N 0.74 3.25 0.41 -0.02 0.00 0.14 -4.64 105.19 105.08 1lr3 n GLY 143 Ca 0.12 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1lr3 n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lr3 n GLY 144 N -0.03 -3.33 2.95 -0.02 0.00 -1.26 -4.56 105.19 98.95 1lr3 n GLY 144 Ca 0.00 -1.99 -0.30 0.00 0.00 0.00 0.00 46.02 43.73 1lr3 n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lr3 s ASN 146 N 1.36 5.62 0.62 0.00 0.01 0.40 -0.98 114.94 121.97 1lr3 s ASN 146 Ca -0.06 2.05 -0.10 0.00 -0.71 0.00 0.00 52.86 54.03 1lr3 s ASN 146 Cb -0.19 -2.56 -0.03 0.00 0.41 0.00 0.00 41.25 38.88 1lr3 s ASN 146 CO -0.06 -1.29 1.01 1.51 -1.51 0.00 0.00 177.10 176.76 1lr3 s ASP 147 N -2.18 6.03 0.39 -1.22 -4.77 -1.26 -4.82 116.67 108.84 1lr3 s ASP 147 Ca 0.69 1.27 0.17 0.00 -3.30 0.00 0.00 52.55 51.37 1lr3 s ASP 147 Cb -0.21 -2.29 0.78 0.00 -1.09 0.00 0.00 42.92 40.11 1lr3 s ASP 147 CO 0.32 -0.95 1.81 0.00 0.70 0.00 0.00 175.17 177.05 1lr3 h ALA 148 N -0.32 1.20 -0.17 2.11 0.00 -1.92 -2.80 119.26 117.36 1lr3 h ALA 148 Ca -0.45 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.12 1lr3 h ALA 148 Cb 1.21 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1lr3 h ALA 148 CO 0.62 0.45 0.05 0.00 0.00 0.00 0.00 179.25 180.38 1lr3 h THR 150 N 0.10 0.94 -0.04 0.00 2.02 -1.87 0.75 112.91 114.81 1lr3 h THR 150 Ca 0.05 -0.23 -0.10 0.00 0.77 0.00 0.00 66.41 66.91 1lr3 h THR 150 Cb 0.22 0.21 0.01 0.00 -1.74 0.00 0.00 68.15 66.85 1lr3 h THR 150 CO -0.00 0.12 -0.35 0.58 0.37 0.00 0.00 175.52 176.24 1lr3 h VAL 151 N 0.67 1.45 0.00 3.16 2.07 -1.28 -3.40 116.25 118.92 1lr3 h VAL 151 Ca 0.31 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 66.01 1lr3 h VAL 151 Cb 0.22 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 1lr3 h VAL 151 CO -0.20 0.52 -1.39 0.49 0.02 0.00 0.00 177.57 177.01 1lr3 n PHE 152 N -4.41 0.00 -3.78 1.57 3.72 0.25 -5.04 117.46 109.78 1lr3 n PHE 152 Ca -0.09 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.07 1lr3 n PHE 152 Cb 0.53 -0.24 0.01 0.00 -0.94 0.00 0.00 39.48 38.84 1lr3 n PHE 152 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1lr3 n GLN 153 N -1.82 -3.68 -4.25 -1.08 1.13 0.25 -5.00 117.38 102.93 1lr3 n GLN 153 Ca -0.01 0.52 -0.24 0.00 -1.94 0.00 0.00 57.00 55.33 1lr3 n GLN 153 Cb 0.36 -4.79 -0.07 0.00 0.11 0.00 0.00 30.24 25.85 1lr3 n GLN 153 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1lr3 s THR 154 N -3.74 3.62 0.38 5.09 -4.23 -1.26 -5.01 115.64 110.48 1lr3 s THR 154 Ca 0.08 -1.73 0.06 0.00 -1.18 0.00 0.00 61.69 58.92 1lr3 s THR 154 Cb -0.03 -2.91 0.20 0.00 1.34 0.00 0.00 72.50 71.11 1lr3 s THR 154 CO 0.85 -0.30 1.96 0.28 -0.54 0.00 0.00 174.62 176.86 1lr3 h SER 155 N 2.06 0.43 -0.30 3.99 0.02 -1.96 -1.24 113.55 116.55 1lr3 h SER 155 Ca -0.45 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.38 1lr3 h SER 155 Cb 1.24 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 1lr3 h SER 155 CO 0.60 0.44 -0.05 -0.08 -1.14 0.00 0.00 176.83 176.59 1lr3 h GLU 156 N 0.47 0.56 -0.02 3.45 4.57 -1.95 0.33 114.58 121.99 1lr3 h GLU 156 Ca 0.11 -0.21 -0.22 0.00 -1.18 0.00 0.00 59.36 57.87 1lr3 h GLU 156 Cb 0.18 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1lr3 h GLU 156 CO -0.00 0.74 -0.89 1.88 -1.18 0.00 0.00 179.01 179.56 1lr3 h TYR 157 N 0.33 0.63 0.00 0.92 0.05 -1.89 -3.28 116.97 113.74 1lr3 h TYR 157 Ca 0.08 -0.33 0.00 0.00 0.05 0.00 0.00 58.73 58.53 1lr3 h TYR 157 Cb 0.52 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.18 1lr3 h TYR 157 CO 0.05 1.13 -0.44 0.00 -1.05 0.00 0.00 178.16 177.85 1lr3 h THR 160 N -2.08 1.16 -0.01 0.00 1.35 -1.82 -1.26 112.91 110.25 1lr3 h THR 160 Ca -0.55 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 1lr3 h THR 160 Cb 1.36 0.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 1lr3 h THR 160 CO 0.60 0.15 -0.03 0.35 -0.25 0.00 0.00 175.52 176.34 1lr3 n THR 161 N -4.44 0.00 -0.93 6.82 -2.24 -1.26 -4.88 114.28 107.35 1lr3 n THR 161 Ca 0.06 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1lr3 n THR 161 Cb 0.05 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 1lr3 n THR 161 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1lr3 n GLY 162 N 1.15 0.62 2.83 3.38 0.00 -0.48 -4.94 105.19 107.76 1lr3 n GLY 162 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1lr3 n GLY 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lr3 s LYS 163 N -0.32 1.28 0.09 1.61 1.02 -1.26 -5.07 119.74 117.08 1lr3 s LYS 163 Ca 0.00 -1.81 -0.05 0.00 0.02 0.00 0.00 55.97 54.13 1lr3 s LYS 163 Cb 0.00 -2.61 -0.02 0.00 -0.52 0.00 0.00 37.83 34.68 1lr3 s LYS 163 CO 0.00 -1.05 0.11 0.00 -0.92 0.00 0.00 175.35 173.50 1lr3 s GLY 165 N -2.91 2.86 0.84 0.00 0.00 -1.26 -4.87 107.32 101.97 1lr3 s GLY 165 Ca 0.09 -0.73 -0.11 0.00 0.00 0.00 0.00 44.72 43.97 1lr3 s GLY 165 CO -0.08 -2.02 1.10 2.56 0.00 0.00 0.00 173.10 174.66 1lr3 s PRO 166 N -3.79 1.73 0.27 2.90 0.04 -1.26 -4.97 135.00 129.92 1lr3 s PRO 166 Ca 0.13 1.16 0.02 0.00 0.04 0.00 0.00 61.00 62.35 1lr3 s PRO 166 Cb 0.02 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 1lr3 s PRO 166 CO 0.08 -2.01 0.13 0.95 0.04 0.00 0.00 177.00 176.19 1lr3 s THR 167 N -2.85 0.36 0.28 1.26 -4.23 -1.26 -4.99 115.64 104.22 1lr3 s THR 167 Ca 0.63 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 59.12 1lr3 s THR 167 Cb -0.19 -2.56 0.27 0.00 1.34 0.00 0.00 72.50 71.36 1lr3 s THR 167 CO 0.57 0.00 1.92 -0.08 -0.54 0.00 0.00 174.62 176.49 1lr3 h GLU 168 N 2.35 1.10 -0.22 3.99 4.81 -1.99 0.15 114.58 124.78 1lr3 h GLU 168 Ca -0.36 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 58.70 1lr3 h GLU 168 Cb 1.25 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 30.38 1lr3 h GLU 168 CO 0.56 0.73 -0.28 1.88 -0.73 0.00 0.00 179.01 181.16 1lr3 h TYR 169 N 1.14 0.71 -0.42 0.92 0.05 -2.00 -2.87 116.97 114.49 1lr3 h TYR 169 Ca 0.38 -0.23 -0.07 0.00 0.05 0.00 0.00 58.73 58.86 1lr3 h TYR 169 Cb 0.07 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.65 1lr3 h TYR 169 CO -0.00 0.95 -0.02 0.66 -1.05 0.00 0.00 178.16 178.70 1lr3 h SER 170 N 0.27 0.66 0.09 3.88 4.64 -1.71 -2.23 113.55 119.14 1lr3 h SER 170 Ca 0.03 -0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 1lr3 h SER 170 Cb 0.86 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1lr3 h SER 170 CO 0.07 0.74 -0.06 0.03 -0.87 0.00 0.00 176.83 176.74 1lr3 h ARG 171 N 0.65 0.00 0.09 4.77 3.08 -0.93 -0.62 114.38 121.41 1lr3 h ARG 171 Ca 0.13 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 1lr3 h ARG 171 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1lr3 h ARG 171 CO 0.02 0.06 -0.04 0.35 -1.07 0.00 0.00 179.97 179.29 1lr3 h PHE 172 N 0.00 -0.11 -0.92 3.04 3.57 -1.17 0.13 116.94 121.48 1lr3 h PHE 172 Ca -0.00 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1lr3 h PHE 172 Cb 0.13 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.86 1lr3 h PHE 172 CO 0.00 0.19 0.56 0.74 -2.23 0.00 0.00 178.31 177.57 1lr3 h PHE 173 N -0.40 1.21 -0.24 0.41 0.04 -1.36 -2.10 116.94 114.50 1lr3 h PHE 173 Ca -0.01 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.64 1lr3 h PHE 173 Cb 0.34 -0.40 -0.01 0.00 2.20 0.00 0.00 35.95 38.08 1lr3 h PHE 173 CO 0.02 0.80 -0.34 -0.22 -0.60 0.00 0.00 178.31 177.96 1lr3 h LYS 174 N 1.27 0.51 -0.14 1.51 1.63 -0.99 0.68 116.57 121.04 1lr3 h LYS 174 Ca 0.33 -0.23 -0.02 0.00 -0.85 0.00 0.00 60.65 59.88 1lr3 h LYS 174 Cb -0.06 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 1lr3 h LYS 174 CO -0.06 0.79 0.01 -0.09 -3.45 0.00 0.00 179.45 176.64 1lr3 h ARG 175 N 0.43 0.25 -0.25 1.90 2.43 -0.35 -2.10 114.38 116.70 1lr3 h ARG 175 Ca 0.05 -0.08 -0.14 0.00 -0.81 0.00 0.00 59.98 59.01 1lr3 h ARG 175 Cb 0.81 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 1lr3 h ARG 175 CO 0.07 0.47 -0.41 -0.07 -1.51 0.00 0.00 179.97 178.51 1lr3 h LEU 176 N -0.00 0.64 -6.65 3.80 -0.00 -1.33 -3.39 115.31 108.37 1lr3 h LEU 176 Ca 0.04 -0.29 -0.60 0.00 -0.00 0.00 0.00 57.88 57.03 1lr3 h LEU 176 Cb 0.35 -0.18 -0.39 0.00 -0.00 0.00 0.00 40.66 40.44 1lr3 h LEU 176 CO 0.01 0.98 -0.84 0.00 -0.00 0.00 0.00 178.44 178.59 1lr3 h PRO 178 N 6.06 0.00 -0.66 0.00 0.11 -1.58 -2.92 132.00 133.02 1lr3 h PRO 178 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1lr3 h PRO 178 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1lr3 h PRO 178 CO 0.43 0.02 0.00 -0.25 -0.21 0.00 0.00 178.00 177.99 1lr3 n ASP 179 N -4.16 3.47 -4.24 -2.05 8.00 -1.26 -4.87 116.55 111.43 1lr3 n ASP 179 Ca -0.03 -2.40 -0.21 0.00 0.71 0.00 0.00 54.79 52.86 1lr3 n ASP 179 Cb 0.10 -0.52 -0.12 0.00 -0.02 0.00 0.00 41.12 40.56 1lr3 n ASP 179 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1lr3 s ALA 180 N -1.87 1.54 0.15 2.24 0.00 -1.10 -4.53 121.76 118.18 1lr3 s ALA 180 Ca 0.33 -1.18 -0.31 0.00 0.00 0.00 0.00 51.96 50.80 1lr3 s ALA 180 Cb 0.23 -0.16 -0.09 0.00 0.00 0.00 0.00 23.12 23.09 1lr3 s ALA 180 CO 0.13 0.24 1.52 -0.06 0.00 0.00 0.00 175.76 177.59 1lr3 s PHE 181 N -1.40 3.11 -0.10 0.00 0.40 -0.62 -4.82 117.98 114.56 1lr3 s PHE 181 Ca 0.04 0.72 0.19 0.00 -0.60 0.00 0.00 56.93 57.28 1lr3 s PHE 181 Cb -0.09 -3.86 -0.29 0.00 0.51 0.00 0.00 43.02 39.29 1lr3 s PHE 181 CO 0.03 -3.13 0.45 -1.13 0.70 0.00 0.00 175.22 172.15 1lr3 n SER 182 N 3.97 0.64 -3.79 1.36 3.41 -1.26 -0.55 113.62 117.39 1lr3 n SER 182 Ca 0.13 -0.08 -0.09 0.00 -0.26 0.00 0.00 58.87 58.58 1lr3 n SER 182 Cb 0.40 1.80 -0.03 0.00 -0.26 0.00 0.00 64.21 66.12 1lr3 n SER 182 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1lr3 s TYR 183 N -3.29 -0.15 0.20 7.33 1.13 -1.26 -4.62 117.35 116.71 1lr3 s TYR 183 Ca -0.06 -0.24 -0.13 0.00 -1.41 0.00 0.00 57.07 55.23 1lr3 s TYR 183 Cb 0.12 0.55 0.24 0.00 -1.10 0.00 0.00 41.96 41.77 1lr3 s TYR 183 CO 0.80 -1.08 1.65 0.28 -2.51 0.00 0.00 175.55 174.68 1lr3 h VAL 184 N 2.08 0.45 -0.72 -3.49 2.07 -1.92 -2.46 116.25 112.26 1lr3 h VAL 184 Ca -0.24 -0.02 -0.24 0.00 0.82 0.00 0.00 66.70 67.02 1lr3 h VAL 184 Cb 1.26 0.40 -0.15 0.00 -1.52 0.00 0.00 31.29 31.29 1lr3 h VAL 184 CO 0.30 0.01 0.31 0.18 0.02 0.00 0.00 177.57 178.39 1lr3 n LEU 185 N -5.35 5.88 -4.73 2.57 4.77 -1.26 -4.99 117.00 113.88 1lr3 n LEU 185 Ca 0.07 -3.07 -0.36 0.00 -0.03 0.00 0.00 56.01 52.63 1lr3 n LEU 185 Cb 0.32 -0.74 0.07 0.00 -2.33 0.00 0.00 43.42 40.74 1lr3 n LEU 185 CO 0.09 0.80 0.84 -0.62 -1.33 0.00 0.00 177.39 177.17 1lr3 s ASP 186 N -0.90 4.61 0.06 -1.43 -1.08 -0.93 -4.87 116.67 112.13 1lr3 s ASP 186 Ca 0.51 2.45 -0.31 0.00 -0.52 0.00 0.00 52.55 54.68 1lr3 s ASP 186 Cb 0.41 -2.60 -0.10 0.00 -1.46 0.00 0.00 42.92 39.17 1lr3 s ASP 186 CO 0.12 -1.99 1.93 1.17 0.52 0.00 0.00 175.17 176.92 1lr3 n LYS 187 N -2.14 2.81 -1.57 4.34 4.81 -1.26 -4.85 118.16 120.31 1lr3 n LYS 187 Ca 0.14 1.03 -0.50 0.00 -0.87 0.00 0.00 58.31 58.11 1lr3 n LYS 187 Cb 0.49 -2.96 -0.05 0.00 0.02 0.00 0.00 35.03 32.54 1lr3 n LYS 187 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1lr3 n PRO 188 N 6.93 1.01 -0.52 1.64 -0.02 -1.26 -4.90 135.00 137.87 1lr3 n PRO 188 Ca 0.20 0.36 0.07 0.00 -2.02 0.00 0.00 63.50 62.10 1lr3 n PRO 188 Cb 0.39 -1.86 0.17 0.00 -0.02 0.00 0.00 33.50 32.18 1lr3 n PRO 188 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1lr3 n THR 189 N 1.62 1.92 -2.60 3.45 -2.24 -1.26 -5.04 114.28 110.12 1lr3 n THR 189 Ca 0.16 -2.75 -0.41 0.00 -2.27 0.00 0.00 64.05 58.78 1lr3 n THR 189 Cb 0.22 -0.14 -0.04 0.00 -2.10 0.00 0.00 70.33 68.27 1lr3 n THR 189 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1lr3 s THR 190 N -2.84 4.00 -0.12 4.28 2.01 -1.26 -4.77 115.64 116.94 1lr3 s THR 190 Ca 0.35 1.79 -0.04 0.00 0.31 0.00 0.00 61.69 64.10 1lr3 s THR 190 Cb 0.34 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 1lr3 s THR 190 CO -0.05 0.34 0.03 -0.69 -0.69 0.00 0.00 174.62 173.56 1lr3 s VAL 191 N -0.46 4.55 -0.25 3.82 1.01 0.61 -4.94 120.40 124.73 1lr3 s VAL 191 Ca 0.47 -0.14 -0.15 0.00 0.00 0.00 0.00 61.98 62.15 1lr3 s VAL 191 Cb -0.28 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 1lr3 s VAL 191 CO 0.34 0.56 0.37 -0.89 0.00 0.00 0.00 175.10 175.48 1lr3 s THR 192 N -0.48 5.19 0.29 3.92 2.01 -1.26 -1.69 115.64 123.62 1lr3 s THR 192 Ca 0.09 0.59 0.11 0.00 0.31 0.00 0.00 61.69 62.79 1lr3 s THR 192 Cb -0.12 -3.70 -0.05 0.00 0.01 0.00 0.00 72.50 68.64 1lr3 s THR 192 CO 0.02 0.19 -0.13 0.00 -0.69 0.00 0.00 174.62 174.02 1lr3 n PRO 194 N -0.73 1.68 -1.70 0.00 -0.02 -1.26 -0.31 135.00 132.66 1lr3 n PRO 194 Ca -0.05 0.62 -0.39 0.00 -2.02 0.00 0.00 63.50 61.66 1lr3 n PRO 194 Cb 0.60 -2.49 0.04 0.00 -0.02 0.00 0.00 33.50 31.63 1lr3 n PRO 194 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lr3 n GLY 195 N 0.82 0.46 2.57 -1.23 0.00 -0.92 -2.69 105.19 104.20 1lr3 n GLY 195 Ca 0.10 0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 1lr3 n GLY 195 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1lr3 n SER 196 N -0.78 -5.21 -4.82 1.61 7.64 -1.26 -4.91 113.62 105.88 1lr3 n SER 196 Ca 0.11 -0.13 -0.30 0.00 1.01 0.00 0.00 58.87 59.56 1lr3 n SER 196 Cb 0.44 -4.17 0.09 0.00 -1.01 0.00 0.00 64.21 59.56 1lr3 n SER 196 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1lr3 s SER 197 N -2.51 4.60 0.27 6.43 0.01 -1.10 -4.98 113.70 116.43 1lr3 s SER 197 Ca 0.13 1.23 0.11 0.00 1.31 0.00 0.00 55.95 58.73 1lr3 s SER 197 Cb -0.06 -1.96 -0.05 0.00 0.21 0.00 0.00 66.02 64.17 1lr3 s SER 197 CO 0.16 -1.89 -0.09 0.20 0.41 0.00 0.00 173.24 172.03 1lr3 s ASN 198 N -4.02 4.11 0.23 2.44 0.01 -1.26 -4.65 114.94 111.79 1lr3 s ASN 198 Ca 0.61 -0.82 0.00 0.00 -0.71 0.00 0.00 52.86 51.94 1lr3 s ASN 198 Cb -0.14 -0.60 -0.04 0.00 0.41 0.00 0.00 41.25 40.89 1lr3 s ASN 198 CO 0.53 0.02 0.17 -0.31 -1.51 0.00 0.00 177.10 176.01 1lr3 s TYR 199 N -2.40 1.24 -0.03 2.20 2.02 -0.52 -0.26 117.35 119.59 1lr3 s TYR 199 Ca 0.31 -1.41 -0.00 0.00 -0.37 0.00 0.00 57.07 55.60 1lr3 s TYR 199 Cb -0.06 -0.55 0.03 0.00 -0.40 0.00 0.00 41.96 40.98 1lr3 s TYR 199 CO 0.18 -0.70 0.02 0.50 -1.57 0.00 0.00 175.55 173.97 1lr3 s ARG 200 N -4.01 0.17 -0.22 -0.62 3.52 0.74 -0.99 118.95 117.54 1lr3 s ARG 200 Ca 0.39 0.15 -0.05 0.00 -0.13 0.00 0.00 55.73 56.09 1lr3 s ARG 200 Cb 0.06 -0.44 -0.02 0.00 -1.56 0.00 0.00 34.95 33.00 1lr3 s ARG 200 CO 0.15 -0.18 -0.01 0.08 -0.81 0.00 0.00 175.30 174.53 1lr3 s VAL 201 N 1.21 3.67 -0.20 7.11 1.01 0.07 -1.65 120.40 131.62 1lr3 s VAL 201 Ca -0.07 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 1lr3 s VAL 201 Cb -0.13 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.57 1lr3 s VAL 201 CO -0.02 0.41 -0.10 -0.89 0.00 0.00 0.00 175.10 174.49 1lr3 s THR 202 N 1.42 2.90 0.13 3.92 2.01 0.30 -0.50 115.64 125.83 1lr3 s THR 202 Ca 0.05 -0.66 -0.23 0.00 0.31 0.00 0.00 61.69 61.16 1lr3 s THR 202 Cb -0.14 -2.28 -0.07 0.00 0.01 0.00 0.00 72.50 70.01 1lr3 s THR 202 CO -0.01 0.47 0.70 -0.36 -0.69 0.00 0.00 174.62 174.73 1lr3 s PHE 203 N 1.30 3.87 -1.19 4.92 0.08 0.55 -1.01 117.98 126.50 1lr3 s PHE 203 Ca 0.04 1.50 -0.08 0.00 0.12 0.00 0.00 56.93 58.51 1lr3 s PHE 203 Cb -0.14 -2.67 -0.02 0.00 -0.57 0.00 0.00 43.02 39.62 1lr3 s PHE 203 CO -0.05 0.54 0.80 0.00 -0.10 0.00 0.00 175.22 176.40 1lr3 h PRO 205 N -1.68 0.37 -3.95 0.00 0.13 -1.80 -3.36 132.00 121.71 1lr3 h PRO 205 Ca -0.63 -0.02 -0.76 0.00 -0.87 0.00 0.00 66.00 63.72 1lr3 h PRO 205 Cb 1.35 -0.08 -0.27 0.00 0.13 0.00 0.00 31.00 32.12 1lr3 h PRO 205 CO 0.51 0.24 -0.12 -0.08 -0.23 0.00 0.00 178.00 178.32 1lr3 s THR 206 N -5.38 5.05 0.00 1.56 -1.32 -1.26 -5.10 115.64 109.20 1lr3 s THR 206 Ca -0.08 -2.16 0.00 0.00 -1.21 0.00 0.00 61.69 58.24 1lr3 s THR 206 Cb 0.21 -4.20 0.00 0.00 -1.51 0.00 0.00 72.50 67.00 1lr3 s THR 206 CO 0.77 -0.93 0.07 0.00 -2.21 0.00 0.00 174.62 172.31