#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n1f s LEU 44 N 0.00 4.36 -0.26 3.14 1.43 -1.26 -5.03 118.68 121.07 3n1f s LEU 44 Ca 0.00 -0.29 -0.08 0.00 -1.03 0.00 0.00 54.13 52.73 3n1f s LEU 44 Cb 0.00 -2.83 -0.03 0.00 0.03 0.00 0.00 46.19 43.36 3n1f s LEU 44 CO 0.00 -0.94 0.10 -0.69 0.23 0.00 0.00 176.35 175.05 3n1f s VAL 45 N 3.22 4.52 0.70 -1.59 1.01 -1.26 -5.07 120.40 121.92 3n1f s VAL 45 Ca 0.27 -0.10 -0.16 0.00 0.00 0.00 0.00 61.98 61.98 3n1f s VAL 45 Cb -0.13 -3.12 0.02 0.00 0.00 0.00 0.00 36.38 33.14 3n1f s VAL 45 CO 0.20 0.32 1.24 -2.16 0.00 0.00 0.00 175.10 174.70 3n1f s PRO 46 N 1.64 2.30 0.43 2.72 0.04 -1.26 -4.72 135.00 136.15 3n1f s PRO 46 Ca 0.06 1.89 -0.22 0.00 0.04 0.00 0.00 61.00 62.78 3n1f s PRO 46 Cb -0.15 -1.84 -0.10 0.00 0.04 0.00 0.00 34.50 32.45 3n1f s PRO 46 CO 0.05 -1.75 0.99 -0.51 0.04 0.00 0.00 177.00 175.83 3n1f s LEU 47 N -4.83 3.99 0.51 -3.56 1.43 -0.52 -4.92 118.68 110.79 3n1f s LEU 47 Ca 0.78 1.83 -0.11 0.00 -1.03 0.00 0.00 54.13 55.60 3n1f s LEU 47 Cb -0.33 -4.43 -0.06 0.00 0.03 0.00 0.00 46.19 41.41 3n1f s LEU 47 CO 0.43 -0.48 0.91 0.00 0.23 0.00 0.00 176.35 177.43 3n1f s ALA 48 N -1.97 3.21 0.13 4.21 0.00 -1.26 -4.34 121.76 121.74 3n1f s ALA 48 Ca 0.62 -0.13 -0.35 0.00 0.00 0.00 0.00 51.96 52.10 3n1f s ALA 48 Cb -0.14 -2.90 -0.15 0.00 0.00 0.00 0.00 23.12 19.92 3n1f s ALA 48 CO 0.19 -0.33 1.46 0.98 0.00 0.00 0.00 175.76 178.06 3n1f n TYR 49 N -1.98 1.91 -0.30 0.00 9.36 -1.26 -1.37 117.16 123.52 3n1f n TYR 49 Ca 0.04 0.44 0.00 0.00 3.32 0.00 0.00 57.90 61.71 3n1f n TYR 49 Cb 0.54 -2.44 0.00 0.00 -0.63 0.00 0.00 39.34 36.81 3n1f n TYR 49 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3n1f n LYS 50 N 2.98 0.00 -2.30 2.98 4.76 0.21 -5.02 118.16 121.76 3n1f n LYS 50 Ca 0.18 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.24 3n1f n LYS 50 Cb 0.24 -1.93 -0.02 0.00 -1.84 0.00 0.00 35.03 31.48 3n1f n LYS 50 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 3n1f s GLN 51 N -0.02 4.01 0.07 1.97 0.74 -0.47 -4.75 119.66 121.22 3n1f s GLN 51 Ca 0.00 1.82 0.06 0.00 0.05 0.00 0.00 55.36 57.28 3n1f s GLN 51 Cb 0.00 -2.63 -0.03 0.00 1.10 0.00 0.00 33.01 31.45 3n1f s GLN 51 CO 0.00 -0.35 -0.15 -0.59 -0.55 0.00 0.00 175.29 173.65 3n1f s PHE 52 N -1.44 1.31 -0.03 1.67 -0.71 -1.26 -0.93 117.98 116.59 3n1f s PHE 52 Ca 0.58 -0.45 -0.01 0.00 -1.04 0.00 0.00 56.93 56.02 3n1f s PHE 52 Cb -0.30 -0.73 0.03 0.00 -1.21 0.00 0.00 43.02 40.80 3n1f s PHE 52 CO 0.38 0.08 0.06 0.45 -1.34 0.00 0.00 175.22 174.84 3n1f s SER 53 N -1.72 0.01 0.91 1.98 0.15 0.26 -3.36 113.70 111.92 3n1f s SER 53 Ca -0.00 0.11 -0.10 0.00 0.70 0.00 0.00 55.95 56.66 3n1f s SER 53 Cb -0.10 0.02 0.14 0.00 -1.71 0.00 0.00 66.02 64.37 3n1f s SER 53 CO 0.02 -0.12 1.15 -2.16 1.20 0.00 0.00 173.24 173.34 3n1f s PRO 54 N 0.97 1.04 -1.34 5.44 0.04 -1.26 -1.18 135.00 138.70 3n1f s PRO 54 Ca -0.08 1.57 -0.08 0.00 0.04 0.00 0.00 61.00 62.44 3n1f s PRO 54 Cb -0.11 -1.73 0.12 0.00 0.04 0.00 0.00 34.50 32.82 3n1f s PRO 54 CO -0.03 -2.62 2.19 -1.71 0.04 0.00 0.00 177.00 174.86 3n1f n ASN 55 N -4.19 6.33 -4.13 6.66 5.15 -1.21 -4.79 115.26 119.08 3n1f n ASN 55 Ca 0.12 -3.05 -0.11 0.00 -0.60 0.00 0.00 54.58 50.94 3n1f n ASN 55 Cb 0.52 -1.46 -0.09 0.00 -0.53 0.00 0.00 39.78 38.22 3n1f n ASN 55 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3n1f s VAL 56 N 0.27 0.03 0.34 3.44 -7.23 -1.26 -5.10 120.40 110.88 3n1f s VAL 56 Ca 0.48 -1.81 -0.29 0.00 -1.81 0.00 0.00 61.98 58.56 3n1f s VAL 56 Cb 0.14 -2.29 -0.11 0.00 0.56 0.00 0.00 36.38 34.69 3n1f s VAL 56 CO -0.04 -0.12 1.41 -2.84 -0.31 0.00 0.00 175.10 173.20 3n1f s PRO 57 N -4.09 4.23 0.30 4.82 0.02 -1.26 -4.88 135.00 134.14 3n1f s PRO 57 Ca 0.31 2.39 0.06 0.00 0.02 0.00 0.00 61.00 63.78 3n1f s PRO 57 Cb 0.05 -3.03 0.83 0.00 0.02 0.00 0.00 34.50 32.37 3n1f s PRO 57 CO 0.08 -0.38 1.67 1.49 -0.33 0.00 0.00 177.00 179.54 3n1f h GLU 58 N 3.48 0.32 -0.61 5.54 4.81 -1.96 -2.16 114.58 124.00 3n1f h GLU 58 Ca -0.49 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 3n1f h GLU 58 Cb 1.23 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3n1f h GLU 58 CO 0.67 0.21 0.00 1.63 -0.73 0.00 0.00 179.01 180.79 3n1f n LYS 59 N -5.10 2.94 -1.93 1.92 5.02 -1.26 -0.82 118.16 118.94 3n1f n LYS 59 Ca 0.25 -2.02 -0.30 0.00 -2.02 0.00 0.00 58.31 54.21 3n1f n LYS 59 Cb 0.75 -1.71 0.03 0.00 -0.02 0.00 0.00 35.03 34.08 3n1f n LYS 59 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3n1f s THR 60 N -1.75 4.08 0.39 -0.18 -4.23 -0.81 -3.29 115.64 109.85 3n1f s THR 60 Ca 0.36 0.63 0.06 0.00 -1.18 0.00 0.00 61.69 61.56 3n1f s THR 60 Cb 0.23 -3.66 0.27 0.00 1.34 0.00 0.00 72.50 70.68 3n1f s THR 60 CO 0.18 -0.86 2.04 -0.07 -0.54 0.00 0.00 174.62 175.37 3n1f h LEU 61 N -0.45 0.55 -0.01 4.79 3.38 -1.89 -0.72 115.31 120.95 3n1f h LEU 61 Ca -0.45 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3n1f h LEU 61 Cb 1.22 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3n1f h LEU 61 CO 0.63 0.40 0.00 0.61 0.09 0.00 0.00 178.44 180.17 3n1f n GLY 62 N -1.46 -1.35 0.00 0.83 0.00 -1.26 -4.59 105.19 97.36 3n1f n GLY 62 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3n1f n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n1f n ALA 63 N -1.51 0.00 1.08 4.61 0.00 -0.64 -4.93 120.51 119.12 3n1f n ALA 63 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.62 3n1f n ALA 63 Cb 0.29 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.90 3n1f n ALA 63 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3n1f n SER 64 N 0.00 1.12 -0.43 0.00 7.64 0.00 -4.65 113.62 117.30 3n1f n SER 64 Ca 0.00 -0.89 0.05 0.00 1.01 0.00 0.00 58.87 59.03 3n1f n SER 64 Cb 0.00 0.41 -0.01 0.00 -1.01 0.00 0.00 64.21 63.60 3n1f n SER 64 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3n1f n GLY 65 N 1.43 -2.03 3.81 0.23 0.00 -0.37 -3.86 105.19 104.40 3n1f n GLY 65 Ca 0.08 -1.38 -0.33 0.00 0.00 0.00 0.00 46.02 44.39 3n1f n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3n1f s ARG 66 N -0.99 3.51 0.16 1.61 0.52 -1.21 -4.27 118.95 118.29 3n1f s ARG 66 Ca 0.00 1.22 -0.31 0.00 -0.52 0.00 0.00 55.73 56.12 3n1f s ARG 66 Cb 0.00 -2.06 -0.09 0.00 0.52 0.00 0.00 34.95 33.32 3n1f s ARG 66 CO 0.00 -0.65 1.49 -0.47 0.02 0.00 0.00 175.30 175.69 3n1f s TYR 67 N -2.35 3.12 -1.65 -0.53 5.04 -1.26 -4.92 117.35 114.80 3n1f s TYR 67 Ca 0.64 0.78 0.13 0.00 -2.44 0.00 0.00 57.07 56.18 3n1f s TYR 67 Cb -0.15 -3.83 0.11 0.00 0.35 0.00 0.00 41.96 38.43 3n1f s TYR 67 CO 0.32 -2.99 0.92 0.39 -1.34 0.00 0.00 175.55 172.85 3n1f n GLU 68 N 3.77 0.86 0.00 4.97 1.02 -1.26 -5.07 120.64 124.92 3n1f n GLU 68 Ca 0.12 -1.30 0.00 0.00 -0.02 0.00 0.00 57.16 55.97 3n1f n GLU 68 Cb 0.40 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 3n1f n GLU 68 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3n1f n GLY 69 N 0.74 3.54 3.77 0.62 0.00 -1.26 -5.06 105.19 107.54 3n1f n GLY 69 Ca 0.08 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.04 3n1f n GLY 69 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3n1f s LYS 70 N -4.27 4.25 -0.35 1.61 2.20 -1.26 -4.58 119.74 117.33 3n1f s LYS 70 Ca 0.00 2.37 -0.10 0.00 -0.36 0.00 0.00 55.97 57.88 3n1f s LYS 70 Cb 0.00 -3.03 0.02 0.00 -1.51 0.00 0.00 37.83 33.31 3n1f s LYS 70 CO 0.00 -0.35 0.18 0.42 -0.36 0.00 0.00 175.35 175.24 3n1f s ILE 71 N -1.05 4.46 0.33 5.43 1.01 0.27 -4.97 121.20 126.69 3n1f s ILE 71 Ca 0.51 -0.80 -0.04 0.00 0.00 0.00 0.00 60.65 60.33 3n1f s ILE 71 Cb -0.43 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 3n1f s ILE 71 CO 0.56 -0.15 0.59 0.00 0.00 0.00 0.00 174.94 175.94 3n1f s ALA 72 N 1.55 3.60 0.41 9.38 0.00 -1.26 -4.84 121.76 130.60 3n1f s ALA 72 Ca 0.02 -0.61 0.16 0.00 0.00 0.00 0.00 51.96 51.52 3n1f s ALA 72 Cb -0.19 -2.31 1.03 0.00 0.00 0.00 0.00 23.12 21.65 3n1f s ALA 72 CO 0.06 0.10 1.89 -0.09 0.00 0.00 0.00 175.76 177.72 3n1f h ARG 73 N 1.28 0.43 -0.04 0.00 2.43 -1.98 -1.53 114.38 114.97 3n1f h ARG 73 Ca -0.48 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3n1f h ARG 73 Cb 1.20 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 3n1f h ARG 73 CO 0.64 0.29 0.00 -1.13 -1.51 0.00 0.00 179.97 178.26 3n1f n SER 74 N -4.50 2.21 -4.88 -3.80 3.41 -1.26 -4.82 113.62 99.98 3n1f n SER 74 Ca 0.16 -1.74 -0.30 0.00 -0.26 0.00 0.00 58.87 56.74 3n1f n SER 74 Cb 0.58 -0.01 0.01 0.00 -0.26 0.00 0.00 64.21 64.53 3n1f n SER 74 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3n1f s SER 75 N -1.97 6.14 0.39 4.04 1.04 -0.58 -4.94 113.70 117.82 3n1f s SER 75 Ca 0.33 1.25 0.07 0.00 0.48 0.00 0.00 55.95 58.09 3n1f s SER 75 Cb 0.20 -2.34 0.78 0.00 0.10 0.00 0.00 66.02 64.77 3n1f s SER 75 CO 0.32 -0.85 1.97 -0.33 0.98 0.00 0.00 173.24 175.33 3n1f h GLU 76 N -0.22 0.43 0.00 4.02 5.08 -1.93 -1.98 114.58 119.98 3n1f h GLU 76 Ca -0.45 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3n1f h GLU 76 Cb 1.20 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3n1f h GLU 76 CO 0.62 0.40 0.00 0.54 -1.00 0.00 0.00 179.01 179.58 3n1f n ARG 77 N -4.37 0.05 0.31 2.33 1.74 -1.26 -3.13 116.66 112.33 3n1f n ARG 77 Ca 0.01 0.19 0.17 0.00 -0.77 0.00 0.00 57.85 57.45 3n1f n ARG 77 Cb 0.17 -1.58 0.98 0.00 -1.02 0.00 0.00 32.46 31.01 3n1f n ARG 77 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3n1f h PHE 78 N 0.00 0.00 0.00 -1.55 3.57 -1.55 -2.51 116.94 114.90 3n1f h PHE 78 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3n1f h PHE 78 Cb 0.39 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.13 3n1f h PHE 78 CO 0.00 0.01 0.00 -0.22 -2.23 0.00 0.00 178.31 175.87 3n1f h LYS 79 N 0.00 0.00 -0.03 1.11 3.64 -1.74 -2.29 116.57 117.26 3n1f h LYS 79 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3n1f h LYS 79 Cb 0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3n1f h LYS 79 CO 0.00 0.00 0.00 -0.85 -2.27 0.00 0.00 179.45 176.33 3n1f n GLU 80 N -2.76 1.40 -3.84 1.90 0.28 -0.95 -4.71 120.64 111.96 3n1f n GLU 80 Ca 0.01 -0.58 -0.37 0.00 -0.16 0.00 0.00 57.16 56.06 3n1f n GLU 80 Cb 0.27 -1.46 -0.06 0.00 1.43 0.00 0.00 31.44 31.62 3n1f n GLU 80 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3n1f s LEU 81 N -1.91 4.38 0.08 -1.84 1.43 -0.86 -4.56 118.68 115.40 3n1f s LEU 81 Ca 0.40 0.49 0.05 0.00 -1.03 0.00 0.00 54.13 54.03 3n1f s LEU 81 Cb 0.20 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 3n1f s LEU 81 CO 0.33 0.38 -0.13 0.42 0.23 0.00 0.00 176.35 177.58 3n1f s THR 82 N -0.92 1.08 0.10 5.49 -4.23 -0.92 -4.87 115.64 111.37 3n1f s THR 82 Ca 0.15 -1.42 -0.30 0.00 -1.18 0.00 0.00 61.69 58.94 3n1f s THR 82 Cb -0.12 -1.17 -0.06 0.00 1.34 0.00 0.00 72.50 72.49 3n1f s THR 82 CO 0.04 -0.33 1.09 -2.84 -0.54 0.00 0.00 174.62 172.05 3n1f s PRO 83 N -2.07 4.55 -0.32 3.99 0.02 -1.26 -2.77 135.00 137.14 3n1f s PRO 83 Ca 0.01 1.65 -0.21 0.00 0.02 0.00 0.00 61.00 62.46 3n1f s PRO 83 Cb -0.08 -3.35 -0.00 0.00 0.02 0.00 0.00 34.50 31.09 3n1f s PRO 83 CO 0.02 -0.04 0.68 1.21 -0.33 0.00 0.00 177.00 178.54 3n1f s ASN 84 N 0.49 6.53 -0.25 2.53 3.84 0.34 -4.92 114.94 123.50 3n1f s ASN 84 Ca 0.53 0.42 0.11 0.00 0.21 0.00 0.00 52.86 54.13 3n1f s ASN 84 Cb -0.27 -2.35 0.50 0.00 -0.55 0.00 0.00 41.25 38.57 3n1f s ASN 84 CO 0.31 -0.56 1.44 -1.22 -2.79 0.00 0.00 177.10 174.28 3n1f n TYR 85 N 6.04 0.98 -1.68 0.43 4.01 -1.26 -4.79 117.16 120.89 3n1f n TYR 85 Ca 0.00 -1.39 -0.43 0.00 -0.16 0.00 0.00 57.90 55.93 3n1f n TYR 85 Cb 0.49 -0.43 -0.03 0.00 -0.31 0.00 0.00 39.34 39.06 3n1f n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3n1f n ASN 86 N -0.99 4.01 0.15 7.72 2.85 -1.26 -4.88 115.26 122.86 3n1f n ASN 86 Ca 0.29 0.97 0.13 0.00 -0.11 0.00 0.00 54.58 55.86 3n1f n ASN 86 Cb 0.98 -1.53 0.52 0.00 1.24 0.00 0.00 39.78 40.99 3n1f n ASN 86 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3n1f h PRO 87 N 8.85 0.00 0.00 1.20 0.14 -2.04 -2.68 132.00 137.47 3n1f h PRO 87 Ca -0.47 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.67 3n1f h PRO 87 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.37 3n1f h PRO 87 CO 0.94 0.00 0.00 -0.25 0.14 0.00 0.00 178.00 178.83 3n1f n ASP 88 N -2.34 0.00 -4.15 1.44 8.00 -1.26 -4.79 116.55 113.45 3n1f n ASP 88 Ca 0.02 -0.16 -0.27 0.00 0.71 0.00 0.00 54.79 55.09 3n1f n ASP 88 Cb 0.23 -0.25 -0.16 0.00 -0.02 0.00 0.00 41.12 40.92 3n1f n ASP 88 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3n1f s ILE 89 N -2.50 1.50 -0.16 0.53 1.01 -1.01 -4.08 121.20 116.49 3n1f s ILE 89 Ca 0.25 -0.76 -0.15 0.00 0.00 0.00 0.00 60.65 60.00 3n1f s ILE 89 Cb 0.17 -1.29 -0.05 0.00 0.01 0.00 0.00 42.46 41.30 3n1f s ILE 89 CO 0.36 0.43 0.32 -0.63 0.00 0.00 0.00 174.94 175.43 3n1f s ILE 90 N 0.04 5.28 -0.20 2.92 1.01 -0.41 -4.88 121.20 124.96 3n1f s ILE 90 Ca -0.04 0.61 -0.05 0.00 0.00 0.00 0.00 60.65 61.17 3n1f s ILE 90 Cb -0.12 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 3n1f s ILE 90 CO 0.03 0.37 -0.01 -0.36 0.00 0.00 0.00 174.94 174.96 3n1f s PHE 91 N 0.59 3.01 0.16 3.97 0.08 -1.26 -0.27 117.98 124.26 3n1f s PHE 91 Ca 0.18 -0.56 -0.16 0.00 0.12 0.00 0.00 56.93 56.51 3n1f s PHE 91 Cb -0.13 -2.08 0.05 0.00 -0.57 0.00 0.00 43.02 40.28 3n1f s PHE 91 CO 0.05 -0.30 1.78 -0.22 -0.10 0.00 0.00 175.22 176.43 3n1f h LYS 92 N 7.60 0.38 -6.80 0.44 3.64 -0.62 -3.46 116.57 117.75 3n1f h LYS 92 Ca -0.37 -0.02 -0.56 0.00 -1.27 0.00 0.00 60.65 58.43 3n1f h LYS 92 Cb 1.18 -0.09 -0.15 0.00 -0.41 0.00 0.00 32.23 32.76 3n1f h LYS 92 CO 0.60 0.25 -0.91 -3.47 -2.27 0.00 0.00 179.45 173.65 3n1f n ASP 93 N -4.93 -0.24 0.32 4.20 2.03 -1.26 -4.83 116.55 111.84 3n1f n ASP 93 Ca 0.01 -1.13 0.21 0.00 0.52 0.00 0.00 54.79 54.41 3n1f n ASP 93 Cb 0.09 -2.36 1.08 0.00 -0.72 0.00 0.00 41.12 39.21 3n1f n ASP 93 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3n1f h GLU 94 N -1.72 0.00 0.00 -0.67 9.09 -1.89 -1.54 114.58 117.84 3n1f h GLU 94 Ca -0.64 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 58.71 3n1f h GLU 94 Cb 1.39 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.48 3n1f h GLU 94 CO 0.69 0.00 -0.29 0.93 0.05 0.00 0.00 179.01 180.39 3n1f h GLU 95 N 0.00 0.00 -6.00 1.06 3.07 -1.97 -3.47 114.58 107.27 3n1f h GLU 95 Ca 0.00 0.00 -0.42 0.00 -0.50 0.00 0.00 59.36 58.44 3n1f h GLU 95 Cb 0.14 0.00 0.08 0.00 -0.84 0.00 0.00 28.75 28.12 3n1f h GLU 95 CO 0.00 0.29 -0.72 0.09 -1.40 0.00 0.00 179.01 177.27 3n1f n ASN 96 N -3.58 -5.16 0.00 1.42 3.02 -0.58 -4.87 115.26 105.50 3n1f n ASN 96 Ca -0.01 -0.65 0.00 0.00 -0.03 0.00 0.00 54.58 53.90 3n1f n ASN 96 Cb 0.43 -4.59 0.00 0.00 -0.61 0.00 0.00 39.78 35.00 3n1f n ASN 96 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3n1f n THR 97 N -4.78 0.00 -0.98 3.41 -2.24 -1.26 -5.02 114.28 103.40 3n1f n THR 97 Ca -0.02 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3n1f n THR 97 Cb 0.57 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 3n1f n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3n1f n GLY 98 N 0.79 0.70 0.37 3.38 0.00 -1.26 -4.93 105.19 104.23 3n1f n GLY 98 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 3n1f n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n1f h ALA 99 N 0.00 1.60 0.00 4.61 0.00 -1.96 -2.08 119.26 121.44 3n1f h ALA 99 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3n1f h ALA 99 Cb 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3n1f h ALA 99 CO 0.00 0.18 -0.01 -0.44 0.00 0.00 0.00 179.25 178.98 3n1f h ASP 100 N 0.92 0.00 1.09 0.00 3.32 -1.92 -0.31 116.42 119.53 3n1f h ASP 100 Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.50 3n1f h ASP 100 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3n1f h ASP 100 CO -0.21 0.01 0.00 0.03 -1.72 0.00 0.00 179.24 177.35 3n1f h ARG 101 N 0.00 0.00 -6.15 3.56 3.08 -1.68 -3.33 114.38 109.86 3n1f h ARG 101 Ca -0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3n1f h ARG 101 Cb 0.03 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.03 3n1f h ARG 101 CO 0.00 0.00 0.07 -0.51 -1.07 0.00 0.00 179.97 178.46 3n1f s LEU 102 N -4.99 4.41 0.01 3.04 1.43 -0.13 -0.50 118.68 121.95 3n1f s LEU 102 Ca 0.05 1.27 -0.29 0.00 -1.03 0.00 0.00 54.13 54.13 3n1f s LEU 102 Cb 0.10 -3.06 0.10 0.00 0.03 0.00 0.00 46.19 43.35 3n1f s LEU 102 CO 0.50 0.03 1.02 0.00 0.23 0.00 0.00 176.35 178.13 3n1f s MET 103 N 0.05 0.79 0.91 1.70 0.23 -1.11 -2.01 119.30 119.86 3n1f s MET 103 Ca 0.35 -0.37 -0.12 0.00 -1.03 0.00 0.00 55.69 54.52 3n1f s MET 103 Cb -0.19 0.31 0.14 0.00 -1.53 0.00 0.00 34.83 33.56 3n1f s MET 103 CO 0.19 -0.35 1.12 0.95 -2.03 0.00 0.00 175.02 174.90 3n1f s THR 104 N -2.96 2.24 0.20 3.16 -4.23 -0.60 -2.16 115.64 111.29 3n1f s THR 104 Ca 0.09 0.08 -0.08 0.00 -1.18 0.00 0.00 61.69 60.60 3n1f s THR 104 Cb -0.00 -2.75 0.13 0.00 1.34 0.00 0.00 72.50 71.22 3n1f s THR 104 CO -0.04 -0.10 1.74 -0.61 -0.54 0.00 0.00 174.62 175.07 3n1f h GLN 105 N -1.53 1.17 -0.68 3.99 5.75 -1.92 -0.16 115.11 121.73 3n1f h GLN 105 Ca -0.51 -0.25 -0.08 0.00 -0.15 0.00 0.00 58.65 57.66 3n1f h GLN 105 Cb 1.32 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 29.67 3n1f h GLN 105 CO 0.60 0.99 0.12 -0.09 -2.65 0.00 0.00 178.83 177.80 3n1f h ARG 106 N 1.12 1.12 -0.37 1.69 2.43 -1.92 -0.96 114.38 117.48 3n1f h ARG 106 Ca 0.24 -0.29 -0.06 0.00 -0.81 0.00 0.00 59.98 59.05 3n1f h ARG 106 Cb 0.32 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 3n1f h ARG 106 CO -0.01 1.02 -0.02 0.00 -1.51 0.00 0.00 179.97 179.45 3n1f h LYS 108 N 0.48 0.34 -0.38 0.00 3.64 -0.65 0.43 116.57 120.43 3n1f h LYS 108 Ca 0.10 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3n1f h LYS 108 Cb 0.49 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 3n1f h LYS 108 CO 0.02 0.23 0.20 -0.44 -2.27 0.00 0.00 179.45 177.19 3n1f h ASP 109 N 0.35 0.31 -0.47 4.20 3.32 -1.06 0.47 116.42 123.54 3n1f h ASP 109 Ca 0.14 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.08 3n1f h ASP 109 Cb 0.05 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 3n1f h ASP 109 CO -0.10 0.22 -0.17 0.03 -1.72 0.00 0.00 179.24 177.50 3n1f h ARG 110 N 0.41 0.97 -0.54 3.56 2.47 -1.20 -2.24 114.38 117.81 3n1f h ARG 110 Ca 0.16 -0.39 -0.08 0.00 -1.26 0.00 0.00 59.98 58.41 3n1f h ARG 110 Cb 0.05 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.30 3n1f h ARG 110 CO -0.10 1.06 0.02 1.25 0.56 0.00 0.00 179.97 182.76 3n1f h LEU 111 N 0.85 0.87 -0.48 3.04 5.85 -0.65 -1.16 115.31 123.63 3n1f h LEU 111 Ca 0.12 -0.21 -0.16 0.00 0.84 0.00 0.00 57.88 58.47 3n1f h LEU 111 Cb 0.74 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 3n1f h LEU 111 CO 0.06 0.92 -0.44 0.78 -0.34 0.00 0.00 178.44 179.41 3n1f h ASN 112 N 0.84 0.83 -0.50 1.25 2.35 -0.78 -0.03 115.58 119.54 3n1f h ASN 112 Ca 0.16 -0.40 -0.01 0.00 -0.55 0.00 0.00 56.30 55.51 3n1f h ASN 112 Cb 0.47 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 3n1f h ASN 112 CO 0.02 1.15 0.28 0.28 -1.65 0.00 0.00 177.43 177.51 3n1f h SER 113 N 0.62 0.61 -0.49 5.81 0.02 -1.20 -2.61 113.55 116.31 3n1f h SER 113 Ca 0.04 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 3n1f h SER 113 Cb 1.00 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.36 3n1f h SER 113 CO 0.10 0.51 0.23 0.25 -1.14 0.00 0.00 176.83 176.78 3n1f h LEU 114 N 0.66 0.67 -0.93 5.07 5.85 -0.78 -2.23 115.31 123.63 3n1f h LEU 114 Ca 0.18 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.89 3n1f h LEU 114 Cb 0.03 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 40.82 3n1f h LEU 114 CO -0.03 0.59 0.59 0.00 -0.34 0.00 0.00 178.44 179.25 3n1f h ALA 115 N 1.51 1.27 -0.21 1.25 0.00 -0.63 -0.20 119.26 122.25 3n1f h ALA 115 Ca 0.18 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3n1f h ALA 115 Cb 0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3n1f h ALA 115 CO -0.02 0.37 0.06 0.82 0.00 0.00 0.00 179.25 180.48 3n1f h ILE 116 N 1.08 1.20 0.00 0.00 2.04 -1.24 -2.54 117.51 118.06 3n1f h ILE 116 Ca 0.40 -0.63 -0.09 0.00 1.00 0.00 0.00 64.86 65.54 3n1f h ILE 116 Cb 0.14 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3n1f h ILE 116 CO -0.16 0.20 -0.42 0.77 0.00 0.00 0.00 178.15 178.53 3n1f h SER 117 N 0.17 0.00 -0.33 1.72 4.64 -0.88 -0.88 113.55 117.99 3n1f h SER 117 Ca 0.07 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.35 3n1f h SER 117 Cb 0.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 3n1f h SER 117 CO -0.00 0.42 0.05 0.58 -0.87 0.00 0.00 176.83 177.01 3n1f h VAL 118 N 0.00 1.24 -0.44 0.95 2.07 -0.96 -0.86 116.25 118.24 3n1f h VAL 118 Ca -0.00 -0.82 -0.08 0.00 0.82 0.00 0.00 66.70 66.61 3n1f h VAL 118 Cb 0.87 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 3n1f h VAL 118 CO 0.05 0.27 -0.06 0.24 0.02 0.00 0.00 177.57 178.10 3n1f h MET 119 N 0.37 0.76 -0.07 1.57 2.07 -1.00 -2.01 114.93 116.62 3n1f h MET 119 Ca 0.10 -0.22 -0.09 0.00 -2.07 0.00 0.00 59.70 57.41 3n1f h MET 119 Cb 0.35 -0.08 -0.01 0.00 -1.87 0.00 0.00 31.60 29.99 3n1f h MET 119 CO 0.01 0.81 -0.38 -0.91 1.07 0.00 0.00 176.91 177.50 3n1f h ASN 120 N 0.70 0.15 -0.03 1.22 2.35 -1.00 -3.29 115.58 115.67 3n1f h ASN 120 Ca 0.13 -0.06 -0.16 0.00 -0.55 0.00 0.00 56.30 55.66 3n1f h ASN 120 Cb 0.51 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.85 3n1f h ASN 120 CO 0.03 0.52 -0.61 -0.61 -1.65 0.00 0.00 177.43 175.11 3n1f h GLN 121 N 0.13 0.47 -3.84 0.81 5.75 -0.65 -3.43 115.11 114.35 3n1f h GLN 121 Ca 0.01 -0.46 -0.59 0.00 -0.15 0.00 0.00 58.65 57.46 3n1f h GLN 121 Cb 0.74 0.12 -0.40 0.00 1.07 0.00 0.00 27.48 29.01 3n1f h GLN 121 CO 0.06 1.11 -0.76 -1.58 -2.65 0.00 0.00 178.83 175.00 3n1f s TRP 122 N -3.36 1.97 -0.12 3.99 0.51 -0.80 -5.09 118.94 116.04 3n1f s TRP 122 Ca -0.13 -1.75 -0.38 0.00 -2.12 0.00 0.00 56.10 51.72 3n1f s TRP 122 Cb 0.04 -1.72 -0.15 0.00 -0.81 0.00 0.00 33.47 30.83 3n1f s TRP 122 CO 0.83 -0.82 1.65 -2.30 -0.51 0.00 0.00 176.95 175.79 3n1f n PRO 123 N 4.78 1.38 -0.88 4.98 -0.02 -1.26 -1.01 135.00 142.97 3n1f n PRO 123 Ca -0.04 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3n1f n PRO 123 Cb 0.43 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3n1f n PRO 123 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3n1f n GLY 124 N 3.73 0.84 3.84 -1.23 0.00 -1.26 -5.03 105.19 106.07 3n1f n GLY 124 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 3n1f n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3n1f s VAL 125 N -3.29 5.15 0.19 1.61 1.01 -0.18 -5.03 120.40 119.86 3n1f s VAL 125 Ca 0.00 -0.08 0.09 0.00 0.00 0.00 0.00 61.98 61.99 3n1f s VAL 125 Cb 0.00 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 3n1f s VAL 125 CO 0.00 0.49 -0.18 -0.54 0.00 0.00 0.00 175.10 174.87 3n1f s LYS 126 N -1.38 1.36 0.26 2.72 1.02 -1.26 -3.89 119.74 118.56 3n1f s LYS 126 Ca 0.19 -1.52 -0.30 0.00 0.02 0.00 0.00 55.97 54.37 3n1f s LYS 126 Cb -0.12 -1.35 -0.10 0.00 -0.52 0.00 0.00 37.83 35.74 3n1f s LYS 126 CO 0.09 0.26 1.35 -1.17 -0.92 0.00 0.00 175.35 174.97 3n1f s LEU 127 N -2.98 4.41 -0.06 3.17 2.96 -1.26 -0.36 118.68 124.57 3n1f s LEU 127 Ca 0.20 2.58 0.04 0.00 -0.22 0.00 0.00 54.13 56.72 3n1f s LEU 127 Cb -0.04 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 43.02 3n1f s LEU 127 CO 0.08 -0.58 -0.16 -0.60 -1.32 0.00 0.00 176.35 173.76 3n1f s ARG 128 N -0.72 1.94 -0.24 1.98 3.52 -0.42 -1.28 118.95 123.72 3n1f s ARG 128 Ca 0.55 -0.58 -0.07 0.00 -0.13 0.00 0.00 55.73 55.50 3n1f s ARG 128 Cb -0.39 -1.61 -0.03 0.00 -1.56 0.00 0.00 34.95 31.36 3n1f s ARG 128 CO 0.44 0.16 0.06 0.08 -0.81 0.00 0.00 175.30 175.24 3n1f s VAL 129 N 0.29 4.26 -0.03 7.11 1.01 0.63 -1.26 120.40 132.42 3n1f s VAL 129 Ca -0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 3n1f s VAL 129 Cb -0.14 -2.99 -0.28 0.00 0.00 0.00 0.00 36.38 32.98 3n1f s VAL 129 CO 0.04 0.35 0.72 0.71 0.00 0.00 0.00 175.10 176.92 3n1f h THR 130 N 5.53 1.00 -3.59 3.92 1.35 -1.39 0.32 112.91 120.05 3n1f h THR 130 Ca -0.38 -2.66 -0.30 0.00 -0.55 0.00 0.00 66.41 62.52 3n1f h THR 130 Cb 1.17 2.69 -0.32 0.00 -1.73 0.00 0.00 68.15 69.96 3n1f h THR 130 CO 0.58 0.81 -0.73 -1.61 -0.25 0.00 0.00 175.52 174.32 3n1f s GLU 131 N -2.60 0.09 0.00 4.72 0.41 -1.17 -4.63 118.70 115.52 3n1f s GLU 131 Ca -0.12 0.09 0.00 0.00 -0.41 0.00 0.00 54.97 54.53 3n1f s GLU 131 Cb 0.07 -0.26 0.00 0.00 -1.78 0.00 0.00 34.13 32.16 3n1f s GLU 131 CO 0.84 -0.10 0.00 0.41 -0.49 0.00 0.00 175.26 175.92 3n1f n GLY 132 N 3.83 1.40 3.75 -1.39 0.00 -1.25 -0.43 105.19 111.11 3n1f n GLY 132 Ca -0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 3n1f n GLY 132 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3n1f n TRP 133 N 0.00 2.62 -4.57 1.61 -0.00 -0.85 -4.75 117.44 111.50 3n1f n TRP 133 Ca 0.00 0.45 -0.22 0.00 -0.00 0.00 0.00 57.50 57.73 3n1f n TRP 133 Cb 0.00 -2.45 -0.15 0.00 -0.00 0.00 0.00 31.31 28.71 3n1f n TRP 133 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 3n1f s ASP 134 N -0.48 1.56 0.00 5.87 2.15 -0.89 -4.24 116.67 120.63 3n1f s ASP 134 Ca 0.61 -0.24 0.00 0.00 0.43 0.00 0.00 52.55 53.35 3n1f s ASP 134 Cb -0.46 -0.33 0.00 0.00 -0.30 0.00 0.00 42.92 41.84 3n1f s ASP 134 CO 0.57 0.12 0.64 -1.84 -0.17 0.00 0.00 175.17 174.49 3n1f n GLU 135 N 3.05 0.55 0.03 4.34 0.28 -1.26 -4.53 120.64 123.11 3n1f n GLU 135 Ca -0.17 -0.81 -0.13 0.00 -0.16 0.00 0.00 57.16 55.89 3n1f n GLU 135 Cb 0.54 -0.93 -0.02 0.00 1.43 0.00 0.00 31.44 32.46 3n1f n GLU 135 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 3n1f h ASP 136 N 0.00 0.65 0.00 -1.84 3.32 -2.01 -3.49 116.42 113.05 3n1f h ASP 136 Ca 0.00 -0.45 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3n1f h ASP 136 Cb 0.28 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3n1f h ASP 136 CO 0.00 1.22 0.00 0.61 -1.72 0.00 0.00 179.24 179.35 3n1f n GLY 137 N 0.70 1.13 0.86 2.75 0.00 -1.26 -5.00 105.19 104.37 3n1f n GLY 137 Ca -0.06 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 45.82 3n1f n GLY 137 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3n1f n HIS 138 N -2.07 0.11 -2.32 1.61 1.44 -1.26 -4.96 115.22 107.77 3n1f n HIS 138 Ca 0.00 -0.05 -0.25 0.00 -2.01 0.00 0.00 57.72 55.40 3n1f n HIS 138 Cb 0.05 0.00 0.10 0.00 0.12 0.00 0.00 29.99 30.27 3n1f n HIS 138 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 3n1f s HIS 139 N -1.89 2.17 0.71 -1.40 3.76 -1.26 -5.03 115.29 112.34 3n1f s HIS 139 Ca 0.33 0.12 -0.16 0.00 -0.15 0.00 0.00 55.06 55.19 3n1f s HIS 139 Cb 0.21 -3.27 -0.01 0.00 1.11 0.00 0.00 32.58 30.62 3n1f s HIS 139 CO 0.31 -1.72 0.89 -1.13 -0.85 0.00 0.00 174.74 172.23 3n1f n SER 140 N -3.01 0.20 -4.67 1.40 3.41 -1.26 -4.88 113.62 104.81 3n1f n SER 140 Ca 0.12 0.67 -0.45 0.00 -0.26 0.00 0.00 58.87 58.94 3n1f n SER 140 Cb 0.60 -1.37 -0.03 0.00 -0.26 0.00 0.00 64.21 63.15 3n1f n SER 140 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3n1f n GLU 141 N -1.58 2.01 -2.54 4.33 1.02 -1.26 -1.66 120.64 120.96 3n1f n GLU 141 Ca 0.13 0.72 -0.16 0.00 -0.02 0.00 0.00 57.16 57.82 3n1f n GLU 141 Cb 0.49 -2.38 0.01 0.00 -0.02 0.00 0.00 31.44 29.54 3n1f n GLU 141 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3n1f n GLU 142 N 2.16 -2.36 -2.07 3.49 1.02 -1.26 -4.96 120.64 116.66 3n1f n GLU 142 Ca 0.12 0.72 -0.41 0.00 -0.02 0.00 0.00 57.16 57.57 3n1f n GLU 142 Cb 0.31 -5.09 -0.02 0.00 -0.02 0.00 0.00 31.44 26.61 3n1f n GLU 142 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3n1f s SER 143 N -2.52 6.72 0.61 1.62 0.15 -0.66 -4.85 113.70 114.76 3n1f s SER 143 Ca 0.10 2.69 0.40 0.00 0.70 0.00 0.00 55.95 59.84 3n1f s SER 143 Cb -0.05 -2.64 2.04 0.00 -1.71 0.00 0.00 66.02 63.66 3n1f s SER 143 CO 0.13 -0.61 2.21 -0.07 1.20 0.00 0.00 173.24 176.10 3n1f h LEU 144 N 3.95 0.00 -1.73 3.45 3.38 -1.93 -0.66 115.31 121.77 3n1f h LEU 144 Ca -0.48 0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.62 3n1f h LEU 144 Cb 1.22 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.94 3n1f h LEU 144 CO 0.70 0.00 0.42 0.45 0.09 0.00 0.00 178.44 180.10 3n1f h HIS 145 N 0.00 0.32 0.00 1.13 3.86 -1.85 -1.80 115.15 116.81 3n1f h HIS 145 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3n1f h HIS 145 Cb 0.15 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.52 3n1f h HIS 145 CO 0.00 0.14 0.00 0.66 0.86 0.00 0.00 177.93 179.59 3n1f n TYR 146 N -4.45 0.09 -1.41 2.45 4.01 -0.26 -2.09 117.16 115.50 3n1f n TYR 146 Ca 0.11 0.03 0.07 0.00 -0.16 0.00 0.00 57.90 57.96 3n1f n TYR 146 Cb 0.49 -0.55 0.16 0.00 -0.31 0.00 0.00 39.34 39.12 3n1f n TYR 146 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 3n1f n GLU 147 N -1.58 1.29 -1.59 -0.72 0.28 -0.81 -0.56 120.64 116.95 3n1f n GLU 147 Ca 0.04 -2.80 -0.13 0.00 -0.16 0.00 0.00 57.16 54.12 3n1f n GLU 147 Cb 0.22 -1.43 -0.04 0.00 1.43 0.00 0.00 31.44 31.62 3n1f n GLU 147 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3n1f n GLY 148 N -1.14 0.98 1.06 -1.84 0.00 -0.90 -4.69 105.19 98.65 3n1f n GLY 148 Ca 0.16 -0.41 0.09 0.00 0.00 0.00 0.00 46.02 45.86 3n1f n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n1f n ARG 149 N -2.53 2.92 -3.93 1.61 1.74 -0.74 -1.55 116.66 114.18 3n1f n ARG 149 Ca -0.13 -2.44 -0.10 0.00 -0.77 0.00 0.00 57.85 54.41 3n1f n ARG 149 Cb 0.47 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 30.31 3n1f n ARG 149 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3n1f s ALA 150 N -1.18 -0.09 0.03 7.54 0.00 -1.24 -0.93 121.76 125.89 3n1f s ALA 150 Ca 0.38 -0.36 0.05 0.00 0.00 0.00 0.00 51.96 52.03 3n1f s ALA 150 Cb 0.21 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.44 3n1f s ALA 150 CO 0.24 -0.18 -0.14 0.14 0.00 0.00 0.00 175.76 175.82 3n1f s VAL 151 N -1.39 1.07 -0.15 0.00 -7.23 0.39 -4.24 120.40 108.85 3n1f s VAL 151 Ca -0.15 -0.91 -0.07 0.00 -1.81 0.00 0.00 61.98 59.04 3n1f s VAL 151 Cb -0.09 -0.96 -0.04 0.00 0.56 0.00 0.00 36.38 35.85 3n1f s VAL 151 CO 0.00 0.05 0.09 -1.81 -0.31 0.00 0.00 175.10 173.12 3n1f s ASP 152 N -0.98 5.91 0.07 4.85 1.01 0.43 -1.02 116.67 126.94 3n1f s ASP 152 Ca 0.02 0.24 0.02 0.00 0.71 0.00 0.00 52.55 53.54 3n1f s ASP 152 Cb -0.07 -1.94 -0.03 0.00 1.01 0.00 0.00 42.92 41.89 3n1f s ASP 152 CO 0.01 0.28 -0.07 0.27 0.21 0.00 0.00 175.17 175.87 3n1f s ILE 153 N -0.29 0.58 0.34 0.77 -4.36 0.66 -1.04 121.20 117.87 3n1f s ILE 153 Ca 0.09 -1.47 0.05 0.00 -0.26 0.00 0.00 60.65 59.07 3n1f s ILE 153 Cb -0.12 -1.09 -0.03 0.00 1.25 0.00 0.00 42.46 42.47 3n1f s ILE 153 CO 0.01 -0.62 0.21 0.42 0.24 0.00 0.00 174.94 175.21 3n1f s THR 154 N -2.43 0.22 0.55 8.37 -4.23 -0.39 -1.26 115.64 116.47 3n1f s THR 154 Ca -0.00 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.44 3n1f s THR 154 Cb -0.03 -2.45 -0.02 0.00 1.34 0.00 0.00 72.50 71.34 3n1f s THR 154 CO -0.02 0.00 0.87 0.42 -0.54 0.00 0.00 174.62 175.35 3n1f s THR 155 N -3.43 4.39 0.27 3.99 -4.23 -1.26 -1.31 115.64 114.06 3n1f s THR 155 Ca 0.35 0.24 0.32 0.00 -1.18 0.00 0.00 61.69 61.42 3n1f s THR 155 Cb 0.03 -3.71 0.35 0.00 1.34 0.00 0.00 72.50 70.51 3n1f s THR 155 CO 0.22 -0.75 2.03 0.77 -0.54 0.00 0.00 174.62 176.35 3n1f h SER 156 N -0.03 0.00 -0.19 3.99 4.64 -1.01 -1.68 113.55 119.27 3n1f h SER 156 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3n1f h SER 156 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3n1f h SER 156 CO 0.61 0.07 0.00 -0.90 -0.87 0.00 0.00 176.83 175.75 3n1f n ASP 157 N -3.28 2.03 -2.98 4.97 5.75 -1.26 -4.94 116.55 116.84 3n1f n ASP 157 Ca -0.01 -1.76 -0.18 0.00 -0.01 0.00 0.00 54.79 52.84 3n1f n ASP 157 Cb 0.28 -0.12 -0.00 0.00 -1.03 0.00 0.00 41.12 40.24 3n1f n ASP 157 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3n1f n ARG 158 N 0.57 -2.96 -2.55 0.11 3.00 -0.63 -4.90 116.66 109.29 3n1f n ARG 158 Ca 0.17 0.48 -0.42 0.00 -0.01 0.00 0.00 57.85 58.07 3n1f n ARG 158 Cb 0.39 -5.14 -0.02 0.00 0.00 0.00 0.00 32.46 27.69 3n1f n ARG 158 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3n1f s ASP 159 N -2.43 6.40 0.60 0.55 2.15 -1.26 -4.88 116.67 117.80 3n1f s ASP 159 Ca 0.23 0.14 0.30 0.00 0.43 0.00 0.00 52.55 53.65 3n1f s ASP 159 Cb -0.12 -2.55 1.64 0.00 -0.30 0.00 0.00 42.92 41.59 3n1f s ASP 159 CO 0.28 -1.51 2.04 0.03 -0.17 0.00 0.00 175.17 175.84 3n1f h ARG 160 N 9.77 0.00 -0.32 4.34 3.08 -1.90 0.27 114.38 129.61 3n1f h ARG 160 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.80 3n1f h ARG 160 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3n1f h ARG 160 CO 1.19 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 180.18 3n1f n ASN 161 N -3.65 2.02 -0.17 7.04 3.02 -1.26 -2.96 115.26 119.29 3n1f n ASN 161 Ca 0.03 -1.91 0.12 0.00 -0.03 0.00 0.00 54.58 52.78 3n1f n ASN 161 Cb 0.41 -0.21 0.17 0.00 -0.61 0.00 0.00 39.78 39.53 3n1f n ASN 161 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3n1f n LYS 162 N 0.58 0.49 0.10 3.52 5.02 0.08 -4.65 118.16 123.31 3n1f n LYS 162 Ca 0.14 -0.34 -0.03 0.00 -2.02 0.00 0.00 58.31 56.06 3n1f n LYS 162 Cb 0.34 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 33.89 3n1f n LYS 162 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 3n1f h TYR 163 N 0.83 0.00 -0.64 2.13 0.05 -1.65 0.41 116.97 118.10 3n1f h TYR 163 Ca 0.00 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.69 3n1f h TYR 163 Cb 0.55 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.27 3n1f h TYR 163 CO 0.00 0.77 0.05 0.78 -1.05 0.00 0.00 178.16 178.71 3n1f h GLY 164 N 2.54 1.17 1.41 3.88 0.00 -1.81 -0.16 103.07 110.11 3n1f h GLY 164 Ca -0.01 -0.83 -0.25 0.00 0.00 0.00 0.00 47.33 46.25 3n1f h GLY 164 CO 0.10 0.76 -1.02 -2.00 0.00 0.00 0.00 176.54 174.38 3n1f h LEU 165 N 1.00 0.68 -0.79 3.11 5.85 -1.77 -1.24 115.31 122.15 3n1f h LEU 165 Ca 0.19 -0.56 0.09 0.00 0.84 0.00 0.00 57.88 58.43 3n1f h LEU 165 Cb 0.51 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.26 3n1f h LEU 165 CO 0.02 1.37 0.44 0.25 -0.34 0.00 0.00 178.44 180.18 3n1f h LEU 166 N 0.28 0.63 -0.56 2.25 5.85 -0.65 0.12 115.31 123.23 3n1f h LEU 166 Ca -0.11 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 3n1f h LEU 166 Cb 1.67 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.60 3n1f h LEU 166 CO 0.19 0.36 0.24 0.00 -0.34 0.00 0.00 178.44 178.89 3n1f h ALA 167 N 1.44 0.73 -0.66 1.25 0.00 -0.84 -0.29 119.26 120.89 3n1f h ALA 167 Ca 0.38 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3n1f h ALA 167 Cb 0.35 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3n1f h ALA 167 CO -0.25 0.32 0.31 -0.09 0.00 0.00 0.00 179.25 179.54 3n1f h ARG 168 N 0.76 0.95 -0.83 0.00 9.65 -0.79 -1.45 114.38 122.67 3n1f h ARG 168 Ca 0.19 -0.14 0.07 0.00 -1.10 0.00 0.00 59.98 59.00 3n1f h ARG 168 Cb 0.17 -0.17 -0.05 0.00 -1.39 0.00 0.00 29.97 28.52 3n1f h ARG 168 CO -0.02 0.76 0.54 -0.07 2.80 0.00 0.00 179.97 183.98 3n1f h LEU 169 N 0.91 0.78 -0.65 3.80 3.38 -0.39 -0.90 115.31 122.23 3n1f h LEU 169 Ca 0.22 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.07 3n1f h LEU 169 Cb 0.13 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3n1f h LEU 169 CO -0.03 0.49 -0.37 0.00 0.09 0.00 0.00 178.44 178.62 3n1f h ALA 170 N 1.56 0.83 -0.29 1.53 0.00 -0.31 0.14 119.26 122.72 3n1f h ALA 170 Ca 0.36 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3n1f h ALA 170 Cb 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3n1f h ALA 170 CO -0.14 0.64 0.17 0.28 0.00 0.00 0.00 179.25 180.21 3n1f h VAL 171 N 0.53 1.12 0.00 0.00 2.07 -0.73 -2.59 116.25 116.65 3n1f h VAL 171 Ca 0.05 -0.29 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 3n1f h VAL 171 Cb 0.88 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 3n1f h VAL 171 CO 0.08 0.12 -0.34 -0.33 0.02 0.00 0.00 177.57 177.12 3n1f h GLU 172 N 0.36 0.00 0.00 1.57 4.39 -0.89 -1.24 114.58 118.77 3n1f h GLU 172 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 3n1f h GLU 172 Cb 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 3n1f h GLU 172 CO -0.02 0.34 0.00 0.00 -1.16 0.00 0.00 179.01 178.17 3n1f n ALA 173 N -2.38 1.94 0.00 3.43 0.00 0.01 -4.89 120.51 118.62 3n1f n ALA 173 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3n1f n ALA 173 Cb 0.41 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3n1f n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n1f n GLY 174 N 0.51 1.06 3.78 0.00 0.00 -0.47 -4.69 105.19 105.38 3n1f n GLY 174 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3n1f n GLY 174 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3n1f s PHE 175 N -2.00 2.59 -0.28 1.61 0.08 -1.00 -4.90 117.98 114.09 3n1f s PHE 175 Ca 0.00 1.21 0.26 0.00 0.12 0.00 0.00 56.93 58.52 3n1f s PHE 175 Cb 0.00 -3.97 0.64 0.00 -0.57 0.00 0.00 43.02 39.13 3n1f s PHE 175 CO 0.00 -2.88 1.72 -0.44 -0.10 0.00 0.00 175.22 173.52 3n1f h ASP 176 N 2.86 0.00 -3.59 1.36 3.32 -1.32 -3.44 116.42 115.61 3n1f h ASP 176 Ca -0.51 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.43 3n1f h ASP 176 Cb 1.24 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.55 3n1f h ASP 176 CO 0.63 0.00 -0.24 0.86 -1.72 0.00 0.00 179.24 178.78 3n1f s TRP 177 N -3.34 -0.55 -0.04 4.55 -0.00 -1.00 -4.22 118.94 114.34 3n1f s TRP 177 Ca 0.05 1.25 0.02 0.00 -0.00 0.00 0.00 56.10 57.42 3n1f s TRP 177 Cb 0.06 0.22 0.01 0.00 -0.00 0.00 0.00 33.47 33.76 3n1f s TRP 177 CO 0.63 -0.29 -0.07 0.08 -0.00 0.00 0.00 176.95 177.31 3n1f s VAL 178 N 0.75 0.69 -0.12 5.86 1.01 -0.32 -0.69 120.40 127.59 3n1f s VAL 178 Ca -0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 61.98 61.66 3n1f s VAL 178 Cb -0.05 -0.66 0.04 0.00 0.00 0.00 0.00 36.38 35.71 3n1f s VAL 178 CO -0.05 0.24 0.02 -0.47 0.00 0.00 0.00 175.10 174.84 3n1f s TYR 179 N 0.58 0.74 -1.25 5.22 5.04 0.44 -0.58 117.35 127.54 3n1f s TYR 179 Ca -0.09 -0.40 -0.19 0.00 -2.44 0.00 0.00 57.07 53.96 3n1f s TYR 179 Cb -0.12 -0.86 0.00 0.00 0.35 0.00 0.00 41.96 41.33 3n1f s TYR 179 CO 0.01 -0.43 1.91 0.98 -1.34 0.00 0.00 175.55 176.68 3n1f n TYR 180 N 5.13 3.68 0.01 4.97 4.19 -0.10 -0.80 117.16 134.24 3n1f n TYR 180 Ca -0.08 -2.46 -0.17 0.00 3.31 0.00 0.00 57.90 58.51 3n1f n TYR 180 Cb 0.49 -2.51 -0.06 0.00 0.49 0.00 0.00 39.34 37.75 3n1f n TYR 180 CO 0.00 0.00 0.00 1.49 0.91 0.00 0.00 176.86 179.26 3n1f h GLU 181 N 7.70 0.70 -4.64 2.98 4.81 -1.85 0.62 114.58 124.91 3n1f h GLU 181 Ca 0.43 -0.62 -0.24 0.00 -0.13 0.00 0.00 59.36 58.80 3n1f h GLU 181 Cb 0.81 0.14 -0.16 0.00 0.63 0.00 0.00 28.75 30.17 3n1f h GLU 181 CO 1.57 1.23 -0.71 0.45 -0.73 0.00 0.00 179.01 180.82 3n1f s SER 182 N -7.13 1.08 0.58 1.04 0.15 -1.08 -4.80 113.70 103.53 3n1f s SER 182 Ca -0.09 -0.89 0.39 0.00 0.70 0.00 0.00 55.95 56.05 3n1f s SER 182 Cb 0.08 0.08 1.96 0.00 -1.71 0.00 0.00 66.02 66.43 3n1f s SER 182 CO 0.90 -0.40 2.17 0.11 1.20 0.00 0.00 173.24 177.22 3n1f h LYS 183 N 3.36 0.00 0.00 5.44 1.57 -1.99 -3.06 116.57 121.88 3n1f h LYS 183 Ca -0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 3n1f h LYS 183 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3n1f h LYS 183 CO 0.59 0.00 -0.89 0.00 -0.57 0.00 0.00 179.45 178.58 3n1f n ALA 184 N -2.04 3.37 -3.60 3.86 0.00 -1.26 -4.85 120.51 115.99 3n1f n ALA 184 Ca -0.02 -0.37 -0.05 0.00 0.00 0.00 0.00 53.44 53.00 3n1f n ALA 184 Cb 0.14 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.55 3n1f n ALA 184 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3n1f s HIS 185 N -3.16 -0.22 -0.08 0.00 -3.43 -1.16 -4.84 115.29 102.40 3n1f s HIS 185 Ca 0.05 0.06 0.00 0.00 -0.80 0.00 0.00 55.06 54.37 3n1f s HIS 185 Cb 0.15 0.56 -0.03 0.00 -1.43 0.00 0.00 32.58 31.83 3n1f s HIS 185 CO 0.78 -0.55 -0.07 0.08 -2.00 0.00 0.00 174.74 172.98 3n1f s VAL 186 N -2.99 3.70 -0.20 -5.38 1.01 -0.39 -2.63 120.40 113.52 3n1f s VAL 186 Ca 0.09 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 3n1f s VAL 186 Cb -0.01 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 3n1f s VAL 186 CO -0.05 0.59 0.05 -2.28 0.00 0.00 0.00 175.10 173.42 3n1f s HIS 187 N -0.70 3.17 -0.01 5.22 5.04 0.02 -0.25 115.29 127.78 3n1f s HIS 187 Ca 0.11 -0.11 0.04 0.00 -1.54 0.00 0.00 55.06 53.56 3n1f s HIS 187 Cb -0.11 -2.11 -0.01 0.00 0.04 0.00 0.00 32.58 30.38 3n1f s HIS 187 CO 0.02 -0.02 -0.13 0.00 -2.34 0.00 0.00 174.74 172.26 3n1f s SER 189 N -0.31 0.21 0.08 0.00 1.04 0.14 -0.46 113.70 114.40 3n1f s SER 189 Ca 0.05 -1.39 0.02 0.00 0.48 0.00 0.00 55.95 55.11 3n1f s SER 189 Cb -0.05 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 3n1f s SER 189 CO -0.00 -0.87 -0.07 0.68 0.98 0.00 0.00 173.24 173.96 3n1f s VAL 190 N -4.12 0.65 0.82 5.02 -7.23 -0.10 -0.83 120.40 114.61 3n1f s VAL 190 Ca 0.38 -1.72 -0.12 0.00 -1.81 0.00 0.00 61.98 58.72 3n1f s VAL 190 Cb 0.06 -1.41 0.09 0.00 0.56 0.00 0.00 36.38 35.69 3n1f s VAL 190 CO 0.13 -0.75 1.16 -0.54 -0.31 0.00 0.00 175.10 174.79 3n1f s LYS 191 N -3.26 1.66 0.69 4.82 1.02 -1.25 -4.84 119.74 118.59 3n1f s LYS 191 Ca 0.06 1.56 -0.13 0.00 0.02 0.00 0.00 55.97 57.47 3n1f s LYS 191 Cb 0.01 -1.80 0.01 0.00 -0.52 0.00 0.00 37.83 35.54 3n1f s LYS 191 CO -0.03 -2.15 1.10 -1.54 -0.92 0.00 0.00 175.35 171.80 3n1f s SER 192 N -2.57 4.99 0.00 2.83 1.04 -1.26 -4.89 113.70 113.84 3n1f s SER 192 Ca 0.68 1.91 0.06 0.00 0.48 0.00 0.00 55.95 59.08 3n1f s SER 192 Cb -0.24 -2.54 0.33 0.00 0.10 0.00 0.00 66.02 63.68 3n1f s SER 192 CO 0.53 -1.71 0.80 -0.62 0.98 0.00 0.00 173.24 173.22