#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ly2 s ALA 1 N 0.00 2.43 0.13 0.62 0.00 -1.26 -5.05 121.76 118.63 1ly2 s ALA 1 Ca 0.00 0.78 -0.11 0.00 0.00 0.00 0.00 51.96 52.63 1ly2 s ALA 1 Cb 0.00 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.73 1ly2 s ALA 1 CO 0.00 -1.33 0.29 -1.54 0.00 0.00 0.00 175.76 173.18 1ly2 s SER 2 N -2.09 -0.01 0.13 0.00 1.04 -1.26 -3.98 113.70 107.54 1ly2 s SER 2 Ca 0.72 -0.65 0.03 0.00 0.48 0.00 0.00 55.95 56.53 1ly2 s SER 2 Cb -0.25 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.25 1ly2 s SER 2 CO 0.38 -0.84 0.22 0.00 0.98 0.00 0.00 173.24 173.98 1ly2 n GLY 4 N -0.28 -0.89 3.61 0.00 0.00 -1.26 -4.15 105.19 102.22 1ly2 n GLY 4 Ca -0.07 -1.78 -0.43 0.00 0.00 0.00 0.00 46.02 43.74 1ly2 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ly2 n SER 5 N -3.46 1.51 -4.74 1.61 7.64 -1.26 -4.93 113.62 109.98 1ly2 n SER 5 Ca 0.12 1.15 -0.34 0.00 1.01 0.00 0.00 58.87 60.81 1ly2 n SER 5 Cb 0.43 -1.33 0.07 0.00 -1.01 0.00 0.00 64.21 62.37 1ly2 n SER 5 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1ly2 s PRO 6 N -1.71 2.49 0.10 1.43 0.02 -1.26 -4.92 135.00 131.15 1ly2 s PRO 6 Ca 0.59 1.63 -0.31 0.00 0.02 0.00 0.00 61.00 62.93 1ly2 s PRO 6 Cb -0.64 -1.89 -0.08 0.00 0.02 0.00 0.00 34.50 31.90 1ly2 s PRO 6 CO 0.60 -1.53 1.57 -2.14 -0.33 0.00 0.00 177.00 175.16 1ly2 s PRO 7 N -3.89 4.23 1.00 5.54 0.02 -1.26 -4.97 135.00 135.67 1ly2 s PRO 7 Ca 0.72 2.27 -0.12 0.00 0.02 0.00 0.00 61.00 63.90 1ly2 s PRO 7 Cb -0.26 -3.42 0.19 0.00 0.02 0.00 0.00 34.50 31.04 1ly2 s PRO 7 CO 0.42 -0.64 1.08 -1.25 -0.33 0.00 0.00 177.00 176.28 1ly2 s PRO 8 N 1.97 0.36 -0.08 5.54 0.04 -1.26 -4.89 135.00 136.68 1ly2 s PRO 8 Ca 0.71 1.02 -0.02 0.00 0.04 0.00 0.00 61.00 62.75 1ly2 s PRO 8 Cb -0.40 -1.69 0.03 0.00 0.04 0.00 0.00 34.50 32.48 1ly2 s PRO 8 CO 0.31 -2.92 0.02 -1.50 0.04 0.00 0.00 177.00 172.95 1ly2 s ILE 9 N -2.68 0.27 0.18 0.56 2.07 -1.26 -4.98 121.20 115.36 1ly2 s ILE 9 Ca 0.66 0.13 -0.31 0.00 -1.41 0.00 0.00 60.65 59.72 1ly2 s ILE 9 Cb -0.22 -0.49 -0.10 0.00 0.13 0.00 0.00 42.46 41.78 1ly2 s ILE 9 CO 0.60 0.20 1.59 -0.22 -1.91 0.00 0.00 174.94 175.20 1ly2 s LEU 10 N 2.01 4.37 -1.94 8.50 2.96 -1.26 -2.47 118.68 130.86 1ly2 s LEU 10 Ca 0.05 2.67 0.00 0.00 -0.22 0.00 0.00 54.13 56.63 1ly2 s LEU 10 Cb -0.13 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.97 1ly2 s LEU 10 CO -0.05 -0.85 0.00 0.59 -1.32 0.00 0.00 176.35 174.72 1ly2 n ASN 11 N 3.81 -5.41 -3.45 3.68 5.03 -1.26 -4.28 115.26 113.38 1ly2 n ASN 11 Ca 0.14 0.29 -0.21 0.00 0.87 0.00 0.00 54.58 55.67 1ly2 n ASN 11 Cb 0.38 -4.68 -0.06 0.00 -1.02 0.00 0.00 39.78 34.40 1ly2 n ASN 11 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ly2 n GLY 12 N -0.63 3.35 3.14 7.41 0.00 -1.03 -3.88 105.19 113.55 1ly2 n GLY 12 Ca -0.21 -2.07 -0.13 0.00 0.00 0.00 0.00 46.02 43.61 1ly2 n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ly2 s ARG 13 N -3.30 0.74 -0.01 1.61 1.81 0.15 -4.87 118.95 115.08 1ly2 s ARG 13 Ca 0.19 -1.05 0.08 0.00 -1.72 0.00 0.00 55.73 53.23 1ly2 s ARG 13 Cb 0.01 -0.40 -0.02 0.00 -0.45 0.00 0.00 34.95 34.09 1ly2 s ARG 13 CO 0.13 0.06 -0.25 0.42 -0.68 0.00 0.00 175.30 174.97 1ly2 s ILE 14 N -2.27 2.12 0.85 1.52 1.01 -1.26 -1.58 121.20 121.58 1ly2 s ILE 14 Ca 0.01 -1.13 -0.12 0.00 0.00 0.00 0.00 60.65 59.42 1ly2 s ILE 14 Cb -0.04 -1.75 0.10 0.00 0.01 0.00 0.00 42.46 40.79 1ly2 s ILE 14 CO -0.01 0.55 1.10 -0.94 0.00 0.00 0.00 174.94 175.64 1ly2 s SER 15 N -0.70 3.96 0.34 3.58 1.04 0.27 -4.97 113.70 117.21 1ly2 s SER 15 Ca 0.10 1.36 -0.28 0.00 0.48 0.00 0.00 55.95 57.61 1ly2 s SER 15 Cb -0.10 -2.06 -0.12 0.00 0.10 0.00 0.00 66.02 63.83 1ly2 s SER 15 CO -0.00 -2.31 1.34 0.00 0.98 0.00 0.00 173.24 173.25 1ly2 n TYR 16 N -3.66 2.41 -3.75 5.02 9.36 -1.26 -4.70 117.16 120.57 1ly2 n TYR 16 Ca 0.07 0.51 -0.13 0.00 3.32 0.00 0.00 57.90 61.68 1ly2 n TYR 16 Cb 0.56 -2.45 -0.11 0.00 -0.63 0.00 0.00 39.34 36.71 1ly2 n TYR 16 CO 0.00 0.00 0.00 1.52 0.22 0.00 0.00 176.86 178.60 1ly2 s TYR 17 N -0.95 -0.37 0.26 2.98 -0.85 -1.26 -4.91 117.35 112.25 1ly2 s TYR 17 Ca 0.57 0.87 -0.01 0.00 -0.52 0.00 0.00 57.07 57.99 1ly2 s TYR 17 Cb -0.56 0.12 -0.04 0.00 0.38 0.00 0.00 41.96 41.86 1ly2 s TYR 17 CO 0.61 -0.19 0.46 -1.54 -1.52 0.00 0.00 175.55 173.37 1ly2 s SER 18 N 0.40 6.36 -0.03 -0.18 1.04 -1.26 -5.09 113.70 114.93 1ly2 s SER 18 Ca -0.02 0.44 0.06 0.00 0.48 0.00 0.00 55.95 56.91 1ly2 s SER 18 Cb -0.04 -2.02 -0.02 0.00 0.10 0.00 0.00 66.02 64.04 1ly2 s SER 18 CO -0.02 -0.14 -0.22 0.42 0.98 0.00 0.00 173.24 174.26 1ly2 s THR 19 N -2.04 2.41 0.58 2.02 -4.23 -1.26 -3.53 115.64 109.59 1ly2 s THR 19 Ca 0.39 -0.97 -0.19 0.00 -1.18 0.00 0.00 61.69 59.74 1ly2 s THR 19 Cb -0.10 -1.88 -0.04 0.00 1.34 0.00 0.00 72.50 71.82 1ly2 s THR 19 CO 0.31 0.58 1.18 -2.16 -0.54 0.00 0.00 174.62 174.00 1ly2 s PRO 20 N -0.64 3.08 -0.55 3.99 0.04 -1.26 -5.09 135.00 134.57 1ly2 s PRO 20 Ca 0.10 1.76 -0.26 0.00 0.04 0.00 0.00 61.00 62.64 1ly2 s PRO 20 Cb -0.10 -1.95 0.04 0.00 0.04 0.00 0.00 34.50 32.52 1ly2 s PRO 20 CO -0.00 -1.10 1.03 0.42 0.04 0.00 0.00 177.00 177.39 1ly2 s ILE 21 N -1.66 4.26 0.63 0.56 1.01 -1.23 -5.00 121.20 119.77 1ly2 s ILE 21 Ca 0.76 0.58 -0.14 0.00 0.00 0.00 0.00 60.65 61.84 1ly2 s ILE 21 Cb -0.28 -4.60 -0.02 0.00 0.01 0.00 0.00 42.46 37.57 1ly2 s ILE 21 CO 0.31 -1.16 1.07 0.00 0.00 0.00 0.00 174.94 175.16 1ly2 s ALA 22 N 4.29 2.67 0.07 9.38 0.00 -1.26 -0.99 121.76 135.93 1ly2 s ALA 22 Ca 0.36 0.35 -0.31 0.00 0.00 0.00 0.00 51.96 52.36 1ly2 s ALA 22 Cb -0.10 -3.23 -0.07 0.00 0.00 0.00 0.00 23.12 19.71 1ly2 s ALA 22 CO 0.23 -1.00 1.47 0.08 0.00 0.00 0.00 175.76 176.54 1ly2 s VAL 23 N -2.57 3.30 0.00 0.00 1.01 -1.26 -1.85 120.40 119.03 1ly2 s VAL 23 Ca 0.63 0.83 0.00 0.00 0.00 0.00 0.00 61.98 63.44 1ly2 s VAL 23 Cb -0.16 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1ly2 s VAL 23 CO 0.42 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1ly2 n GLY 24 N 3.69 1.98 3.77 4.51 0.00 0.36 -5.01 105.19 114.48 1ly2 n GLY 24 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1ly2 n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ly2 s THR 25 N -2.17 2.23 0.00 2.61 2.01 -0.77 -4.72 115.64 114.82 1ly2 s THR 25 Ca 0.00 0.22 0.07 0.00 0.31 0.00 0.00 61.69 62.29 1ly2 s THR 25 Cb 0.00 -3.14 -0.02 0.00 0.01 0.00 0.00 72.50 69.35 1ly2 s THR 25 CO 0.00 0.05 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.09 1ly2 s VAL 26 N -0.96 1.62 0.06 3.82 1.01 -1.26 -0.54 120.40 124.16 1ly2 s VAL 26 Ca 0.53 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.59 1ly2 s VAL 26 Cb -0.45 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1ly2 s VAL 26 CO 0.58 0.38 -0.12 0.27 0.00 0.00 0.00 175.10 176.22 1ly2 s ILE 27 N -0.57 0.92 -0.01 2.22 -4.36 -0.54 -4.96 121.20 113.90 1ly2 s ILE 27 Ca 0.08 -1.18 0.06 0.00 -0.26 0.00 0.00 60.65 59.35 1ly2 s ILE 27 Cb -0.08 -0.91 -0.03 0.00 1.25 0.00 0.00 42.46 42.70 1ly2 s ILE 27 CO -0.00 -0.24 -0.18 -0.13 0.24 0.00 0.00 174.94 174.63 1ly2 s ARG 28 N -1.59 2.28 0.10 0.37 1.81 -1.26 -1.37 118.95 119.29 1ly2 s ARG 28 Ca -0.04 -0.84 0.05 0.00 -1.72 0.00 0.00 55.73 53.18 1ly2 s ARG 28 Cb -0.10 -2.24 -0.04 0.00 -0.45 0.00 0.00 34.95 32.12 1ly2 s ARG 28 CO 0.02 0.58 0.01 0.71 -0.68 0.00 0.00 175.30 175.93 1ly2 s TYR 29 N -0.77 2.99 0.13 -0.53 1.51 0.03 -0.57 117.35 120.14 1ly2 s TYR 29 Ca 0.12 -0.03 -0.16 0.00 -1.01 0.00 0.00 57.07 55.99 1ly2 s TYR 29 Cb -0.10 -1.53 0.04 0.00 -0.11 0.00 0.00 41.96 40.25 1ly2 s TYR 29 CO 0.02 0.48 0.42 -1.54 -1.11 0.00 0.00 175.55 173.82 1ly2 s SER 30 N -2.37 -0.25 0.27 2.29 1.04 -0.62 -4.85 113.70 109.22 1ly2 s SER 30 Ca 0.26 -0.32 0.09 0.00 0.48 0.00 0.00 55.95 56.46 1ly2 s SER 30 Cb -0.12 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.44 1ly2 s SER 30 CO 0.19 -0.88 -0.13 0.00 0.98 0.00 0.00 173.24 173.40 1ly2 s SER 32 N -3.46 3.76 0.42 0.00 0.15 -1.25 -4.92 113.70 108.39 1ly2 s SER 32 Ca 0.28 1.25 0.15 0.00 0.70 0.00 0.00 55.95 58.34 1ly2 s SER 32 Cb -0.01 -1.93 1.04 0.00 -1.71 0.00 0.00 66.02 63.42 1ly2 s SER 32 CO 0.12 -2.43 1.91 1.23 1.20 0.00 0.00 173.24 175.28 1ly2 h GLY 33 N -1.41 0.74 -0.71 9.45 0.00 -2.01 -1.96 103.07 107.18 1ly2 h GLY 33 Ca -0.49 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.65 1ly2 h GLY 33 CO 0.58 0.06 0.00 -1.30 0.00 0.00 0.00 176.54 175.88 1ly2 n THR 34 N -4.48 0.26 -4.39 4.70 -2.24 -1.26 -4.84 114.28 102.02 1ly2 n THR 34 Ca 0.15 -0.28 -0.20 0.00 -2.27 0.00 0.00 64.05 61.45 1ly2 n THR 34 Cb 0.54 0.14 -0.10 0.00 -2.10 0.00 0.00 70.33 68.81 1ly2 n THR 34 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1ly2 s PHE 35 N -1.74 1.87 -0.08 4.78 0.40 -0.74 -1.48 117.98 120.99 1ly2 s PHE 35 Ca 0.18 -0.60 0.03 0.00 -0.60 0.00 0.00 56.93 55.94 1ly2 s PHE 35 Cb 0.09 -0.95 0.01 0.00 0.51 0.00 0.00 43.02 42.69 1ly2 s PHE 35 CO 0.13 0.37 -0.16 1.03 0.70 0.00 0.00 175.22 177.29 1ly2 s ARG 36 N -3.66 2.13 -0.01 0.44 1.81 0.08 -4.69 118.95 115.05 1ly2 s ARG 36 Ca 0.26 -0.56 -0.30 0.00 -1.72 0.00 0.00 55.73 53.41 1ly2 s ARG 36 Cb 0.01 -1.69 -0.04 0.00 -0.45 0.00 0.00 34.95 32.77 1ly2 s ARG 36 CO 0.10 0.08 1.18 -1.17 -0.68 0.00 0.00 175.30 174.81 1ly2 s LEU 37 N 0.56 4.32 -0.22 2.53 2.96 -1.26 -1.28 118.68 126.28 1ly2 s LEU 37 Ca -0.16 1.87 -0.02 0.00 -0.22 0.00 0.00 54.13 55.61 1ly2 s LEU 37 Cb -0.17 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 42.97 1ly2 s LEU 37 CO 0.05 -0.52 -0.09 -0.63 -1.32 0.00 0.00 176.35 173.85 1ly2 s ILE 38 N 1.71 2.81 0.00 6.68 -1.09 0.28 -4.84 121.20 126.74 1ly2 s ILE 38 Ca 0.57 -0.86 0.00 0.00 -2.23 0.00 0.00 60.65 58.12 1ly2 s ILE 38 Cb -0.26 -2.33 0.00 0.00 -1.58 0.00 0.00 42.46 38.29 1ly2 s ILE 38 CO 0.25 0.34 0.00 0.61 -1.23 0.00 0.00 174.94 174.91 1ly2 n GLY 39 N 4.69 2.38 3.66 6.18 0.00 -1.26 -1.91 105.19 118.92 1ly2 n GLY 39 Ca -0.18 -1.98 -0.46 0.00 0.00 0.00 0.00 46.02 43.40 1ly2 n GLY 39 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ly2 n GLU 40 N 0.77 2.10 0.22 1.61 -0.58 -1.26 -4.86 120.64 118.64 1ly2 n GLU 40 Ca 0.00 0.76 0.13 0.00 -0.42 0.00 0.00 57.16 57.62 1ly2 n GLU 40 Cb 0.00 -2.52 0.25 0.00 -0.57 0.00 0.00 31.44 28.60 1ly2 n GLU 40 CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 1ly2 h LYS 41 N 5.86 0.00 -5.37 3.49 2.10 -1.94 -3.38 116.57 117.33 1ly2 h LYS 41 Ca -0.45 0.00 -0.64 0.00 -2.00 0.00 0.00 60.65 57.56 1ly2 h LYS 41 Cb 1.26 0.00 -0.20 0.00 -0.90 0.00 0.00 32.23 32.39 1ly2 h LYS 41 CO 0.88 0.00 -0.65 -1.12 -2.00 0.00 0.00 179.45 176.56 1ly2 s SER 42 N -6.02 4.95 -0.04 7.07 0.01 -1.26 -0.79 113.70 117.62 1ly2 s SER 42 Ca 0.06 -0.07 0.03 0.00 1.31 0.00 0.00 55.95 57.28 1ly2 s SER 42 Cb 0.06 -1.77 -0.03 0.00 0.21 0.00 0.00 66.02 64.49 1ly2 s SER 42 CO 0.65 0.19 -0.10 -0.76 0.41 0.00 0.00 173.24 173.62 1ly2 s LEU 43 N 0.23 2.97 -0.07 2.44 1.02 -0.47 -4.97 118.68 119.84 1ly2 s LEU 43 Ca -0.01 -0.14 0.05 0.00 0.02 0.00 0.00 54.13 54.04 1ly2 s LEU 43 Cb -0.14 -1.66 -0.00 0.00 0.02 0.00 0.00 46.19 44.41 1ly2 s LEU 43 CO 0.02 0.33 -0.23 -0.22 0.02 0.00 0.00 176.35 176.28 1ly2 s LEU 44 N -0.97 2.02 -0.30 1.79 2.96 -1.26 -1.47 118.68 121.45 1ly2 s LEU 44 Ca 0.13 -0.48 -0.26 0.00 -0.22 0.00 0.00 54.13 53.30 1ly2 s LEU 44 Cb -0.11 -1.28 0.01 0.00 0.50 0.00 0.00 46.19 45.31 1ly2 s LEU 44 CO 0.03 0.19 0.94 0.00 -1.32 0.00 0.00 176.35 176.18 1ly2 s ILE 46 N 3.27 1.13 -0.07 0.00 -4.36 0.31 -0.49 121.20 120.99 1ly2 s ILE 46 Ca 0.39 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.75 1ly2 s ILE 46 Cb -0.13 -2.53 0.04 0.00 1.25 0.00 0.00 42.46 41.08 1ly2 s ILE 46 CO 0.13 0.00 0.17 0.28 0.24 0.00 0.00 174.94 175.75 1ly2 s THR 47 N -3.07 -0.04 -0.06 8.37 -1.32 -1.26 -0.53 115.64 117.72 1ly2 s THR 47 Ca 0.25 0.15 0.06 0.00 -1.21 0.00 0.00 61.69 60.94 1ly2 s THR 47 Cb 0.05 -0.27 -0.24 0.00 -1.51 0.00 0.00 72.50 70.53 1ly2 s THR 47 CO 0.12 0.06 0.59 0.50 -2.21 0.00 0.00 174.62 173.69 1ly2 h LYS 48 N 7.07 0.09 -0.06 7.08 3.64 -1.97 -3.40 116.57 129.03 1ly2 h LYS 48 Ca -0.40 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 1ly2 h LYS 48 Cb 1.15 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1ly2 h LYS 48 CO 0.41 0.75 0.00 -0.40 -2.27 0.00 0.00 179.45 177.94 1ly2 n ASP 49 N -3.20 1.76 0.00 4.20 5.68 -1.26 -4.99 116.55 118.73 1ly2 n ASP 49 Ca -0.21 -1.46 0.00 0.00 -0.50 0.00 0.00 54.79 52.62 1ly2 n ASP 49 Cb 1.05 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.99 1ly2 n ASP 49 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1ly2 n LYS 50 N 0.23 -1.16 -0.06 0.11 5.02 -1.26 -4.78 118.16 116.25 1ly2 n LYS 50 Ca 0.04 0.29 -0.13 0.00 -2.02 0.00 0.00 58.31 56.49 1ly2 n LYS 50 Cb 0.20 -4.22 -0.04 0.00 -0.02 0.00 0.00 35.03 30.95 1ly2 n LYS 50 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ly2 n VAL 51 N -2.34 0.70 -4.59 -0.18 0.31 -1.26 -4.33 118.33 106.64 1ly2 n VAL 51 Ca 0.00 -0.17 -0.34 0.00 -0.01 0.00 0.00 64.34 63.82 1ly2 n VAL 51 Cb 0.29 -1.67 -0.11 0.00 -0.91 0.00 0.00 33.84 31.43 1ly2 n VAL 51 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1ly2 s ASP 52 N -6.13 4.73 -0.02 4.52 1.01 -1.26 -4.42 116.67 115.10 1ly2 s ASP 52 Ca -0.18 0.00 -0.05 0.00 0.71 0.00 0.00 52.55 53.04 1ly2 s ASP 52 Cb 0.07 -1.22 -0.04 0.00 1.01 0.00 0.00 42.92 42.74 1ly2 s ASP 52 CO 0.22 0.36 0.21 -0.83 0.21 0.00 0.00 175.17 175.34 1ly2 s GLY 53 N -0.81 2.20 0.01 0.21 0.00 -0.79 -4.33 107.32 103.80 1ly2 s GLY 53 Ca 0.12 -0.67 -0.06 0.00 0.00 0.00 0.00 44.72 44.11 1ly2 s GLY 53 CO 0.02 -0.51 0.12 -1.08 0.00 0.00 0.00 173.10 171.64 1ly2 s THR 54 N -1.27 0.09 0.30 0.90 -1.32 0.31 -4.49 115.64 110.16 1ly2 s THR 54 Ca 0.25 -0.78 -0.28 0.00 -1.21 0.00 0.00 61.69 59.67 1ly2 s THR 54 Cb -0.13 -0.49 -0.09 0.00 -1.51 0.00 0.00 72.50 70.28 1ly2 s THR 54 CO 0.15 -0.43 1.06 0.26 -2.21 0.00 0.00 174.62 173.45 1ly2 s TRP 55 N -1.60 3.60 -0.62 9.09 0.52 -1.26 -0.53 118.94 128.15 1ly2 s TRP 55 Ca -0.13 1.73 0.20 0.00 0.02 0.00 0.00 56.10 57.92 1ly2 s TRP 55 Cb -0.07 -3.19 0.85 0.00 -1.15 0.00 0.00 33.47 29.92 1ly2 s TRP 55 CO 0.00 -0.35 1.60 -0.40 0.02 0.00 0.00 176.95 177.83 1ly2 n ASP 56 N 0.99 0.45 -3.61 2.95 5.75 0.49 -4.86 116.55 118.72 1ly2 n ASP 56 Ca -0.00 0.62 -0.08 0.00 -0.01 0.00 0.00 54.79 55.32 1ly2 n ASP 56 Cb 0.46 -0.71 -0.02 0.00 -1.03 0.00 0.00 41.12 39.82 1ly2 n ASP 56 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1ly2 s LYS 57 N -3.24 1.27 0.82 0.11 -2.85 -1.26 -5.01 119.74 109.58 1ly2 s LYS 57 Ca 0.04 -0.59 -0.11 0.00 -1.00 0.00 0.00 55.97 54.31 1ly2 s LYS 57 Cb 0.09 0.51 0.09 0.00 -2.06 0.00 0.00 37.83 36.45 1ly2 s LYS 57 CO 0.32 -0.57 1.12 -2.14 0.10 0.00 0.00 175.35 174.18 1ly2 s PRO 58 N -3.55 1.78 0.51 1.78 0.02 -1.26 -4.98 135.00 129.30 1ly2 s PRO 58 Ca 0.06 1.38 -0.18 0.00 0.02 0.00 0.00 61.00 62.28 1ly2 s PRO 58 Cb -0.02 -1.83 -0.08 0.00 0.02 0.00 0.00 34.50 32.59 1ly2 s PRO 58 CO -0.04 -2.03 1.01 0.00 -0.33 0.00 0.00 177.00 175.60 1ly2 s ALA 59 N -2.70 2.93 1.05 -1.55 0.00 -1.26 -4.95 121.76 115.29 1ly2 s ALA 59 Ca 0.65 0.39 -0.16 0.00 0.00 0.00 0.00 51.96 52.84 1ly2 s ALA 59 Cb -0.21 -3.19 0.22 0.00 0.00 0.00 0.00 23.12 19.95 1ly2 s ALA 59 CO 0.55 -0.33 1.15 -0.35 0.00 0.00 0.00 175.76 176.79 1ly2 n PRO 60 N -1.34 -1.59 -4.14 0.00 -0.04 -1.26 -5.03 135.00 121.59 1ly2 n PRO 60 Ca 0.08 -1.79 -0.10 0.00 -0.04 0.00 0.00 63.50 61.65 1ly2 n PRO 60 Cb 0.53 -1.30 -0.10 0.00 -0.04 0.00 0.00 33.50 32.60 1ly2 n PRO 60 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1ly2 s LYS 61 N -5.54 0.76 -0.29 0.54 -2.85 -0.80 -4.91 119.74 106.66 1ly2 s LYS 61 Ca 0.67 -1.29 -0.08 0.00 -1.00 0.00 0.00 55.97 54.27 1ly2 s LYS 61 Cb -0.03 -0.08 -0.01 0.00 -2.06 0.00 0.00 37.83 35.65 1ly2 s LYS 61 CO 0.48 -0.05 0.10 0.00 0.10 0.00 0.00 175.35 175.99 1ly2 s GLU 63 N 1.58 3.67 0.18 0.00 2.02 -0.41 -4.86 118.70 120.88 1ly2 s GLU 63 Ca 0.04 -0.29 -0.32 0.00 0.02 0.00 0.00 54.97 54.42 1ly2 s GLU 63 Cb -0.17 -3.14 -0.12 0.00 0.10 0.00 0.00 34.13 30.80 1ly2 s GLU 63 CO 0.04 0.49 1.73 0.98 0.02 0.00 0.00 175.26 178.53 1ly2 n TYR 64 N 2.86 2.65 -1.66 1.61 9.36 -1.26 -0.74 117.16 129.98 1ly2 n TYR 64 Ca -0.18 0.03 -0.48 0.00 3.32 0.00 0.00 57.90 60.59 1ly2 n TYR 64 Cb 0.53 -2.67 -0.05 0.00 -0.63 0.00 0.00 39.34 36.52 1ly2 n TYR 64 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1ly2 n PHE 65 N 4.31 2.15 -3.94 2.98 7.35 -0.55 -4.85 117.46 124.91 1ly2 n PHE 65 Ca 0.17 0.27 -0.33 0.00 -0.76 0.00 0.00 57.45 56.80 1ly2 n PHE 65 Cb 0.34 -2.54 -0.14 0.00 0.35 0.00 0.00 39.48 37.50 1ly2 n PHE 65 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1ly2 s ASN 66 N 1.83 4.89 0.17 -2.13 3.84 -1.26 -4.99 114.94 117.29 1ly2 s ASN 66 Ca 0.85 -1.95 0.16 0.00 0.21 0.00 0.00 52.86 52.13 1ly2 s ASN 66 Cb -0.75 -1.69 0.76 0.00 -0.55 0.00 0.00 41.25 39.02 1ly2 s ASN 66 CO 0.45 -0.40 1.50 2.29 -2.79 0.00 0.00 177.10 178.15 1ly2 n LYS 67 N 4.41 0.10 0.08 0.43 2.85 -1.26 -2.63 118.16 122.14 1ly2 n LYS 67 Ca -0.01 0.46 0.11 0.00 -1.05 0.00 0.00 58.31 57.82 1ly2 n LYS 67 Cb 0.42 -1.74 -0.02 0.00 -0.65 0.00 0.00 35.03 33.04 1ly2 n LYS 67 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1ly2 n TYR 68 N -1.94 0.77 -1.95 5.58 4.02 -1.26 -4.96 117.16 117.43 1ly2 n TYR 68 Ca 0.01 0.23 -0.38 0.00 -0.01 0.00 0.00 57.90 57.74 1ly2 n TYR 68 Cb 0.12 -0.86 0.02 0.00 -0.02 0.00 0.00 39.34 38.60 1ly2 n TYR 68 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1ly2 s SER 69 N -5.13 5.67 -0.03 7.72 0.01 -1.08 -5.03 113.70 115.83 1ly2 s SER 69 Ca -0.01 2.63 -0.28 0.00 1.31 0.00 0.00 55.95 59.60 1ly2 s SER 69 Cb 0.11 -2.63 0.06 0.00 0.21 0.00 0.00 66.02 63.77 1ly2 s SER 69 CO 0.81 -1.28 0.61 -0.94 0.41 0.00 0.00 173.24 172.85 1ly2 s SER 70 N -1.02 -0.58 0.08 2.44 1.04 -1.26 -3.66 113.70 110.75 1ly2 s SER 70 Ca 0.67 0.56 0.10 0.00 0.48 0.00 0.00 55.95 57.76 1ly2 s SER 70 Cb -0.37 0.51 -0.03 0.00 0.10 0.00 0.00 66.02 66.22 1ly2 s SER 70 CO 0.45 -0.61 -0.24 0.00 0.98 0.00 0.00 173.24 173.81 1ly2 s PRO 72 N -1.67 1.64 -0.02 0.00 0.04 -1.26 -4.38 135.00 129.35 1ly2 s PRO 72 Ca 0.14 0.61 -0.30 0.00 0.04 0.00 0.00 61.00 61.49 1ly2 s PRO 72 Cb -0.10 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.48 1ly2 s PRO 72 CO 0.05 -1.92 2.00 -1.91 0.04 0.00 0.00 177.00 175.26 1ly2 n GLU 73 N -3.63 2.64 -2.69 4.56 4.07 -1.26 -4.94 120.64 119.39 1ly2 n GLU 73 Ca 0.07 0.94 -0.40 0.00 -0.06 0.00 0.00 57.16 57.71 1ly2 n GLU 73 Cb 0.57 -2.99 -0.05 0.00 -0.06 0.00 0.00 31.44 28.90 1ly2 n GLU 73 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1ly2 s PRO 74 N 4.70 4.78 -0.06 5.31 0.04 -1.26 -5.04 135.00 143.46 1ly2 s PRO 74 Ca 0.91 1.55 0.04 0.00 0.04 0.00 0.00 61.00 63.54 1ly2 s PRO 74 Cb -0.46 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 30.80 1ly2 s PRO 74 CO 0.43 0.38 -0.18 0.42 0.04 0.00 0.00 177.00 178.09 1ly2 s ILE 75 N -0.88 1.51 -0.28 0.56 1.01 -1.26 -4.99 121.20 116.87 1ly2 s ILE 75 Ca 0.43 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 60.37 1ly2 s ILE 75 Cb -0.27 -1.32 0.08 0.00 0.01 0.00 0.00 42.46 40.96 1ly2 s ILE 75 CO 0.33 0.44 -0.00 -0.69 0.00 0.00 0.00 174.94 175.01 1ly2 s VAL 76 N 0.29 1.68 0.31 2.92 1.01 -1.26 -5.05 120.40 120.30 1ly2 s VAL 76 Ca -0.11 -1.61 -0.30 0.00 0.00 0.00 0.00 61.98 59.97 1ly2 s VAL 76 Cb -0.14 -2.07 -0.12 0.00 0.00 0.00 0.00 36.38 34.05 1ly2 s VAL 76 CO 0.04 -0.34 1.48 -2.65 0.00 0.00 0.00 175.10 173.63 1ly2 n PRO 77 N 4.56 2.44 -0.86 2.72 -0.02 -1.26 -1.40 135.00 141.19 1ly2 n PRO 77 Ca -0.06 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1ly2 n PRO 77 Cb 0.43 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1ly2 n PRO 77 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ly2 n GLY 78 N 1.59 1.15 3.47 -1.23 0.00 -1.26 -4.06 105.19 104.85 1ly2 n GLY 78 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1ly2 n GLY 78 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ly2 s GLY 79 N -1.95 2.55 -0.03 -0.02 0.00 -0.50 -0.86 107.32 106.51 1ly2 s GLY 79 Ca 0.00 -1.39 -0.16 0.00 0.00 0.00 0.00 44.72 43.17 1ly2 s GLY 79 CO 0.00 -1.76 0.36 -2.52 0.00 0.00 0.00 173.10 169.18 1ly2 s TYR 80 N -3.27 -0.26 0.08 1.90 -0.85 0.31 -4.73 117.35 110.54 1ly2 s TYR 80 Ca 0.27 0.45 -0.31 0.00 -0.52 0.00 0.00 57.07 56.96 1ly2 s TYR 80 Cb 0.02 0.14 -0.07 0.00 0.38 0.00 0.00 41.96 42.43 1ly2 s TYR 80 CO 0.17 -0.39 1.34 0.21 -1.52 0.00 0.00 175.55 175.35 1ly2 s LYS 81 N -1.14 4.35 0.00 -3.49 2.20 -1.26 -1.00 119.74 119.39 1ly2 s LYS 81 Ca -0.12 1.97 0.08 0.00 -0.36 0.00 0.00 55.97 57.55 1ly2 s LYS 81 Cb -0.04 -3.33 0.01 0.00 -1.51 0.00 0.00 37.83 32.96 1ly2 s LYS 81 CO 0.04 -0.41 0.60 0.44 -0.36 0.00 0.00 175.35 175.67 1ly2 n ILE 82 N 4.06 0.00 -3.63 5.43 -5.35 0.36 -4.91 119.36 115.31 1ly2 n ILE 82 Ca 0.11 -0.43 -0.12 0.00 -0.27 0.00 0.00 62.75 62.04 1ly2 n ILE 82 Cb 0.44 1.11 -0.07 0.00 -1.74 0.00 0.00 39.64 39.38 1ly2 n ILE 82 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1ly2 s ARG 83 N -1.14 0.72 0.00 6.28 3.00 -1.19 -4.97 118.95 121.66 1ly2 s ARG 83 Ca 0.07 0.86 0.00 0.00 -1.00 0.00 0.00 55.73 55.66 1ly2 s ARG 83 Cb 0.07 0.35 0.00 0.00 0.00 0.00 0.00 34.95 35.36 1ly2 s ARG 83 CO 0.19 -0.09 0.00 0.41 0.00 0.00 0.00 175.30 175.82 1ly2 n GLY 84 N 2.55 3.87 3.01 8.12 0.00 -1.26 -1.86 105.19 119.61 1ly2 n GLY 84 Ca -0.14 -1.34 -0.17 0.00 0.00 0.00 0.00 46.02 44.38 1ly2 n GLY 84 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ly2 s SER 85 N 0.00 0.87 0.41 1.61 0.15 -1.26 -5.03 113.70 110.45 1ly2 s SER 85 Ca 0.00 -0.21 -0.23 0.00 0.70 0.00 0.00 55.95 56.21 1ly2 s SER 85 Cb 0.00 -0.07 -0.10 0.00 -1.71 0.00 0.00 66.02 64.14 1ly2 s SER 85 CO 0.00 0.04 0.99 0.28 1.20 0.00 0.00 173.24 175.75 1ly2 s THR 86 N -0.39 4.06 0.48 6.45 -1.32 -1.26 -4.25 115.64 119.40 1ly2 s THR 86 Ca 0.01 1.44 -0.20 0.00 -1.21 0.00 0.00 61.69 61.72 1ly2 s THR 86 Cb -0.04 -3.67 -0.09 0.00 -1.51 0.00 0.00 72.50 67.18 1ly2 s THR 86 CO -0.00 -0.13 1.02 -2.16 -2.21 0.00 0.00 174.62 171.14 1ly2 s PRO 87 N -2.78 3.90 -0.49 7.08 0.04 -1.26 -5.12 135.00 136.36 1ly2 s PRO 87 Ca 0.60 1.29 -0.18 0.00 0.04 0.00 0.00 61.00 62.75 1ly2 s PRO 87 Cb -0.16 -2.11 0.06 0.00 0.04 0.00 0.00 34.50 32.33 1ly2 s PRO 87 CO 0.20 -0.34 0.53 0.71 0.04 0.00 0.00 177.00 178.14 1ly2 s TYR 88 N -2.05 3.13 0.60 0.56 1.51 -1.26 -5.05 117.35 114.79 1ly2 s TYR 88 Ca 0.66 -0.68 0.05 0.00 -1.01 0.00 0.00 57.07 56.09 1ly2 s TYR 88 Cb -0.14 -3.37 0.08 0.00 -0.11 0.00 0.00 41.96 38.41 1ly2 s TYR 88 CO 0.19 -0.93 0.82 1.03 -1.11 0.00 0.00 175.55 175.55 1ly2 s ARG 89 N 2.24 2.21 0.08 -0.62 1.81 -1.26 -1.18 118.95 122.23 1ly2 s ARG 89 Ca 0.11 -1.29 -0.32 0.00 -1.72 0.00 0.00 55.73 52.51 1ly2 s ARG 89 Cb -0.21 -2.54 -0.11 0.00 -0.45 0.00 0.00 34.95 31.64 1ly2 s ARG 89 CO 0.10 -0.95 1.85 1.58 -0.68 0.00 0.00 175.30 177.20 1ly2 n HIS 90 N -2.39 2.54 0.00 -0.53 -0.00 -1.24 -1.49 115.22 112.10 1ly2 n HIS 90 Ca 0.13 -0.14 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1ly2 n HIS 90 Cb 0.61 -2.72 0.00 0.00 -0.12 0.00 0.00 29.99 27.76 1ly2 n HIS 90 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1ly2 n GLY 91 N 4.25 2.67 3.78 1.57 0.00 -0.39 -4.97 105.19 112.09 1ly2 n GLY 91 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1ly2 n GLY 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ly2 s ASP 92 N -1.30 6.00 0.26 1.61 1.01 -0.56 -4.74 116.67 118.96 1ly2 s ASP 92 Ca 0.00 2.12 0.07 0.00 0.71 0.00 0.00 52.55 55.45 1ly2 s ASP 92 Cb 0.00 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 1ly2 s ASP 92 CO 0.00 -1.02 -0.08 -0.94 0.21 0.00 0.00 175.17 173.34 1ly2 s SER 93 N -1.75 2.70 0.02 0.27 1.04 -1.26 -0.71 113.70 114.00 1ly2 s SER 93 Ca 0.69 -1.15 0.03 0.00 0.48 0.00 0.00 55.95 56.00 1ly2 s SER 93 Cb -0.22 -0.16 -0.01 0.00 0.10 0.00 0.00 66.02 65.73 1ly2 s SER 93 CO 0.26 -0.30 -0.09 -0.69 0.98 0.00 0.00 173.24 173.40 1ly2 s VAL 94 N -3.01 0.69 -0.01 5.02 1.01 -0.71 -4.40 120.40 118.99 1ly2 s VAL 94 Ca 0.28 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.67 1ly2 s VAL 94 Cb 0.02 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 1ly2 s VAL 94 CO 0.11 -0.01 -0.22 -0.89 0.00 0.00 0.00 175.10 174.09 1ly2 s THR 95 N -0.62 1.72 0.27 3.92 2.01 -0.78 -1.93 115.64 120.24 1ly2 s THR 95 Ca -0.01 -0.98 0.11 0.00 0.31 0.00 0.00 61.69 61.13 1ly2 s THR 95 Cb -0.06 -1.44 -0.05 0.00 0.01 0.00 0.00 72.50 70.96 1ly2 s THR 95 CO 0.00 0.45 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.86 1ly2 s PHE 96 N -0.56 2.39 0.03 4.92 0.40 -0.02 -0.49 117.98 124.66 1ly2 s PHE 96 Ca 0.08 -0.31 0.02 0.00 -0.60 0.00 0.00 56.93 56.13 1ly2 s PHE 96 Cb -0.08 -1.05 -0.02 0.00 0.51 0.00 0.00 43.02 42.38 1ly2 s PHE 96 CO -0.00 0.68 -0.07 0.00 0.70 0.00 0.00 175.22 176.53 1ly2 s ALA 97 N -2.40 0.47 0.32 5.36 0.00 -0.17 -4.84 121.76 120.49 1ly2 s ALA 97 Ca 0.30 -0.65 -0.14 0.00 0.00 0.00 0.00 51.96 51.46 1ly2 s ALA 97 Cb -0.06 0.04 -0.09 0.00 0.00 0.00 0.00 23.12 23.01 1ly2 s ALA 97 CO 0.16 -0.02 0.72 0.00 0.00 0.00 0.00 175.76 176.61 1ly2 s LYS 99 N -2.98 0.02 0.21 0.00 1.02 -0.04 -4.86 119.74 113.11 1ly2 s LYS 99 Ca 0.54 0.61 -0.32 0.00 0.02 0.00 0.00 55.97 56.82 1ly2 s LYS 99 Cb -0.10 -1.68 -0.13 0.00 -0.52 0.00 0.00 37.83 35.40 1ly2 s LYS 99 CO 0.18 -3.03 1.63 2.41 -0.92 0.00 0.00 175.35 175.62 1ly2 n THR 100 N -4.40 0.23 -1.02 2.17 -1.04 -1.26 -1.74 114.28 107.22 1ly2 n THR 100 Ca 0.05 -0.06 -0.01 0.00 -2.04 0.00 0.00 64.05 61.99 1ly2 n THR 100 Cb 0.56 -1.80 -0.00 0.00 -1.82 0.00 0.00 70.33 67.27 1ly2 n THR 100 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1ly2 n ASN 101 N 3.38 -3.18 -4.35 8.00 5.03 -1.26 -5.03 115.26 117.84 1ly2 n ASN 101 Ca 0.15 0.02 -0.28 0.00 0.87 0.00 0.00 54.58 55.34 1ly2 n ASN 101 Cb 0.33 -0.74 -0.13 0.00 -1.02 0.00 0.00 39.78 38.21 1ly2 n ASN 101 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1ly2 s PHE 102 N -1.99 2.15 -0.02 3.10 0.40 -0.71 -0.95 117.98 119.96 1ly2 s PHE 102 Ca 0.00 -0.39 0.05 0.00 -0.60 0.00 0.00 56.93 55.99 1ly2 s PHE 102 Cb 0.00 -1.20 -0.01 0.00 0.51 0.00 0.00 43.02 42.32 1ly2 s PHE 102 CO 0.00 0.25 -0.18 0.45 0.70 0.00 0.00 175.22 176.44 1ly2 s SER 103 N -1.80 2.15 0.17 1.36 0.15 0.53 -4.67 113.70 111.60 1ly2 s SER 103 Ca 0.11 -0.34 -0.14 0.00 0.70 0.00 0.00 55.95 56.29 1ly2 s SER 103 Cb -0.10 -0.32 -0.07 0.00 -1.71 0.00 0.00 66.02 63.82 1ly2 s SER 103 CO 0.05 0.21 0.57 -0.32 1.20 0.00 0.00 173.24 174.94 1ly2 s MET 104 N -0.32 3.98 -0.12 5.44 1.75 -1.26 -0.34 119.30 128.43 1ly2 s MET 104 Ca 0.05 0.50 0.01 0.00 -1.25 0.00 0.00 55.69 54.99 1ly2 s MET 104 Cb -0.08 -2.87 0.02 0.00 2.84 0.00 0.00 34.83 34.74 1ly2 s MET 104 CO -0.00 0.44 -0.14 -0.80 -0.65 0.00 0.00 175.02 173.87 1ly2 s ASN 105 N -1.83 2.41 0.00 1.11 0.01 0.43 -4.98 114.94 112.10 1ly2 s ASN 105 Ca 0.40 -0.42 0.00 0.00 -0.71 0.00 0.00 52.86 52.14 1ly2 s ASN 105 Cb -0.14 -1.06 0.00 0.00 0.41 0.00 0.00 41.25 40.46 1ly2 s ASN 105 CO 0.19 -0.02 0.00 0.61 -1.51 0.00 0.00 177.10 176.38 1ly2 n GLY 106 N 4.41 -2.73 3.72 0.66 0.00 -1.26 -1.17 105.19 108.83 1ly2 n GLY 106 Ca -0.18 -2.18 -0.42 0.00 0.00 0.00 0.00 46.02 43.24 1ly2 n GLY 106 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ly2 s ASN 107 N -0.10 7.18 0.53 1.61 0.01 -1.26 -4.93 114.94 117.99 1ly2 s ASN 107 Ca 0.00 2.00 0.32 0.00 -0.71 0.00 0.00 52.86 54.47 1ly2 s ASN 107 Cb 0.00 -2.59 1.26 0.00 0.41 0.00 0.00 41.25 40.33 1ly2 s ASN 107 CO 0.00 -0.35 1.94 0.07 -1.51 0.00 0.00 177.10 177.25 1ly2 h LYS 108 N 6.18 0.00 -6.63 -0.60 2.10 -1.94 -3.34 116.57 112.34 1ly2 h LYS 108 Ca -0.43 0.00 -0.68 0.00 -2.00 0.00 0.00 60.65 57.54 1ly2 h LYS 108 Cb 1.21 0.00 -0.27 0.00 -0.90 0.00 0.00 32.23 32.27 1ly2 h LYS 108 CO 0.77 0.00 -0.88 -1.12 -2.00 0.00 0.00 179.45 176.22 1ly2 s SER 109 N -5.71 3.05 0.12 7.07 0.01 -1.26 -0.84 113.70 116.14 1ly2 s SER 109 Ca 0.02 -0.56 0.05 0.00 1.31 0.00 0.00 55.95 56.76 1ly2 s SER 109 Cb 0.09 -0.28 -0.04 0.00 0.21 0.00 0.00 66.02 65.99 1ly2 s SER 109 CO 0.55 0.26 -0.11 0.68 0.41 0.00 0.00 173.24 175.02 1ly2 s VAL 110 N -0.77 1.13 0.10 3.43 -7.23 -0.81 -4.93 120.40 111.32 1ly2 s VAL 110 Ca 0.11 -1.76 0.10 0.00 -1.81 0.00 0.00 61.98 58.62 1ly2 s VAL 110 Cb -0.10 -1.52 -0.04 0.00 0.56 0.00 0.00 36.38 35.28 1ly2 s VAL 110 CO 0.02 -0.55 -0.25 0.26 -0.31 0.00 0.00 175.10 174.26 1ly2 s TRP 111 N -2.52 2.35 -0.38 2.82 0.51 0.78 -1.74 118.94 120.76 1ly2 s TRP 111 Ca 0.09 -0.37 -0.29 0.00 -2.12 0.00 0.00 56.10 53.42 1ly2 s TRP 111 Cb -0.02 -1.31 0.02 0.00 -0.81 0.00 0.00 33.47 31.35 1ly2 s TRP 111 CO 0.01 0.29 1.08 0.00 -0.51 0.00 0.00 176.95 177.82 1ly2 s GLN 113 N 3.93 2.67 0.51 0.00 -0.21 -0.33 -1.26 119.66 124.97 1ly2 s GLN 113 Ca 0.45 -0.24 0.20 0.00 0.02 0.00 0.00 55.36 55.80 1ly2 s GLN 113 Cb -0.10 -2.30 1.31 0.00 1.00 0.00 0.00 33.01 32.91 1ly2 s GLN 113 CO 0.22 -0.81 2.10 0.00 -2.12 0.00 0.00 175.29 174.67 1ly2 h ALA 114 N -0.20 1.67 -0.03 6.09 0.00 -1.94 -1.31 119.26 123.54 1ly2 h ALA 114 Ca -0.45 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1ly2 h ALA 114 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1ly2 h ALA 114 CO 0.59 0.11 0.00 0.27 0.00 0.00 0.00 179.25 180.22 1ly2 n ASN 115 N -4.17 0.44 -1.86 0.00 6.94 -1.26 -4.80 115.26 110.55 1ly2 n ASN 115 Ca -0.03 -2.01 -0.17 0.00 -0.02 0.00 0.00 54.58 52.36 1ly2 n ASN 115 Cb 0.17 -0.15 -0.01 0.00 -2.36 0.00 0.00 39.78 37.43 1ly2 n ASN 115 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1ly2 n ASN 116 N -0.29 -4.91 -4.25 0.53 3.02 -0.49 -5.01 115.26 103.86 1ly2 n ASN 116 Ca 0.01 0.01 -0.17 0.00 -0.03 0.00 0.00 54.58 54.39 1ly2 n ASN 116 Cb 0.10 -4.01 -0.11 0.00 -0.61 0.00 0.00 39.78 35.15 1ly2 n ASN 116 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1ly2 s MET 117 N -4.75 1.05 0.23 3.52 -1.94 -1.26 -4.67 119.30 111.48 1ly2 s MET 117 Ca 0.00 -1.29 -0.30 0.00 -1.71 0.00 0.00 55.69 52.39 1ly2 s MET 117 Cb 0.00 -0.88 -0.09 0.00 2.01 0.00 0.00 34.83 35.87 1ly2 s MET 117 CO 0.00 0.16 0.93 -1.58 -0.01 0.00 0.00 175.02 174.53 1ly2 s TRP 118 N -2.35 3.97 0.00 -0.03 0.52 -1.26 -1.19 118.94 118.60 1ly2 s TRP 118 Ca 0.11 1.90 0.00 0.00 0.02 0.00 0.00 56.10 58.13 1ly2 s TRP 118 Cb -0.04 -2.98 0.00 0.00 -1.15 0.00 0.00 33.47 29.31 1ly2 s TRP 118 CO 0.03 0.44 0.00 0.41 0.02 0.00 0.00 176.95 177.85 1ly2 n GLY 119 N 1.55 1.64 0.00 0.98 0.00 -0.21 -4.75 105.19 104.40 1ly2 n GLY 119 Ca -0.02 -0.81 0.14 0.00 0.00 0.00 0.00 46.02 45.33 1ly2 n GLY 119 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ly2 n PRO 120 N 0.00 0.33 -3.49 1.61 -0.04 -1.26 -0.15 135.00 132.00 1ly2 n PRO 120 Ca 0.00 0.02 -0.21 0.00 -0.04 0.00 0.00 63.50 63.27 1ly2 n PRO 120 Cb 0.00 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.95 1ly2 n PRO 120 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ly2 s THR 121 N -2.65 2.43 0.75 0.52 -4.23 -1.26 -5.10 115.64 106.09 1ly2 s THR 121 Ca 0.24 -1.28 -0.12 0.00 -1.18 0.00 0.00 61.69 59.35 1ly2 s THR 121 Cb 0.19 -2.71 0.04 0.00 1.34 0.00 0.00 72.50 71.36 1ly2 s THR 121 CO 0.44 0.00 1.10 -0.13 -0.54 0.00 0.00 174.62 175.49 1ly2 s ARG 122 N -4.26 2.38 0.58 3.99 0.52 -1.26 -4.98 118.95 115.92 1ly2 s ARG 122 Ca 0.48 1.22 -0.19 0.00 -0.52 0.00 0.00 55.73 56.72 1ly2 s ARG 122 Cb -0.04 -1.91 -0.04 0.00 0.52 0.00 0.00 34.95 33.48 1ly2 s ARG 122 CO 0.29 -1.55 1.19 -0.51 0.02 0.00 0.00 175.30 174.73 1ly2 s LEU 123 N -5.68 3.68 0.80 2.53 1.43 -1.26 -4.77 118.68 115.41 1ly2 s LEU 123 Ca 0.62 2.33 -0.11 0.00 -1.03 0.00 0.00 54.13 55.95 1ly2 s LEU 123 Cb -0.18 -4.59 0.08 0.00 0.03 0.00 0.00 46.19 41.52 1ly2 s LEU 123 CO 0.53 -1.52 1.11 -2.16 0.23 0.00 0.00 176.35 174.54 1ly2 s PRO 124 N -3.34 1.97 -0.11 1.29 0.04 -1.25 -4.96 135.00 128.63 1ly2 s PRO 124 Ca 0.76 1.30 -0.01 0.00 0.04 0.00 0.00 61.00 63.10 1ly2 s PRO 124 Cb -0.29 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 1ly2 s PRO 124 CO 0.32 -1.88 -0.09 0.99 0.04 0.00 0.00 177.00 176.38 1ly2 s THR 125 N -2.77 3.45 -0.25 1.26 2.01 -0.32 -4.90 115.64 114.12 1ly2 s THR 125 Ca 0.63 -0.54 -0.06 0.00 0.31 0.00 0.00 61.69 62.03 1ly2 s THR 125 Cb -0.19 -2.45 -0.02 0.00 0.01 0.00 0.00 72.50 69.85 1ly2 s THR 125 CO 0.55 0.54 0.04 0.00 -0.69 0.00 0.00 174.62 175.06 1ly2 s VAL 127 N 1.57 3.13 0.14 0.00 1.01 0.54 -4.70 120.40 122.09 1ly2 s VAL 127 Ca 0.06 -0.65 -0.31 0.00 0.00 0.00 0.00 61.98 61.08 1ly2 s VAL 127 Cb -0.15 -2.29 -0.10 0.00 0.00 0.00 0.00 36.38 33.84 1ly2 s VAL 127 CO 0.02 0.54 1.60 -0.55 0.00 0.00 0.00 175.10 176.71 1ly2 s SER 128 N 0.05 6.59 0.00 3.32 0.15 -1.26 -0.35 113.70 122.19 1ly2 s SER 128 Ca -0.04 2.58 0.05 0.00 0.70 0.00 0.00 55.95 59.24 1ly2 s SER 128 Cb -0.14 -2.58 0.04 0.00 -1.71 0.00 0.00 66.02 61.62 1ly2 s SER 128 CO 0.04 -0.85 0.66 2.30 1.20 0.00 0.00 173.24 176.60