#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n1m s PRO 40 N 0.00 2.09 0.46 2.89 0.02 -1.26 -4.87 135.00 134.33 3n1m s PRO 40 Ca 0.00 0.97 -0.23 0.00 0.02 0.00 0.00 61.00 61.76 3n1m s PRO 40 Cb 0.00 -1.89 -0.09 0.00 0.02 0.00 0.00 34.50 32.54 3n1m s PRO 40 CO 0.00 -1.70 1.07 -2.30 -0.33 0.00 0.00 177.00 173.73 3n1m n PRO 41 N -3.54 1.41 -3.23 5.54 -0.02 -1.20 -4.86 135.00 129.10 3n1m n PRO 41 Ca 0.08 0.51 -0.28 0.00 -2.02 0.00 0.00 63.50 61.78 3n1m n PRO 41 Cb 0.54 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.84 3n1m n PRO 41 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3n1m s ARG 42 N -2.21 3.64 -0.28 -0.52 0.52 -1.26 -5.04 118.95 113.81 3n1m s ARG 42 Ca 0.65 0.06 -0.22 0.00 -0.52 0.00 0.00 55.73 55.70 3n1m s ARG 42 Cb -0.52 -2.60 -0.01 0.00 0.52 0.00 0.00 34.95 32.35 3n1m s ARG 42 CO 0.55 0.15 0.70 0.21 0.02 0.00 0.00 175.30 176.93 3n1m s LYS 43 N -3.71 4.02 0.18 3.54 2.20 -1.26 -5.04 119.74 119.68 3n1m s LYS 43 Ca 0.45 0.54 0.10 0.00 -0.36 0.00 0.00 55.97 56.70 3n1m s LYS 43 Cb -0.11 -3.69 -0.04 0.00 -1.51 0.00 0.00 37.83 32.48 3n1m s LYS 43 CO 0.31 -0.54 -0.21 -0.51 -0.36 0.00 0.00 175.35 174.04 3n1m s LEU 44 N 2.69 2.44 -0.34 5.43 1.43 -1.26 -5.11 118.68 123.96 3n1m s LEU 44 Ca 0.29 -0.87 -0.11 0.00 -1.03 0.00 0.00 54.13 52.41 3n1m s LEU 44 Cb -0.15 -1.00 0.01 0.00 0.03 0.00 0.00 46.19 45.08 3n1m s LEU 44 CO 0.10 0.04 0.19 -0.69 0.23 0.00 0.00 176.35 176.22 3n1m s VAL 45 N -1.88 4.66 0.64 -1.59 1.01 -1.26 -5.08 120.40 116.90 3n1m s VAL 45 Ca 0.19 -0.61 -0.15 0.00 0.00 0.00 0.00 61.98 61.41 3n1m s VAL 45 Cb -0.07 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 3n1m s VAL 45 CO 0.08 -0.08 1.09 -2.16 0.00 0.00 0.00 175.10 174.03 3n1m s PRO 46 N 1.60 2.95 0.38 2.72 0.04 -1.26 -4.73 135.00 136.70 3n1m s PRO 46 Ca 0.04 1.31 -0.25 0.00 0.04 0.00 0.00 61.00 62.13 3n1m s PRO 46 Cb -0.18 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 3n1m s PRO 46 CO 0.07 -1.12 1.09 -0.51 0.04 0.00 0.00 177.00 176.57 3n1m s LEU 47 N -4.82 4.23 0.61 -3.56 1.02 -0.63 -4.93 118.68 110.61 3n1m s LEU 47 Ca 0.65 2.17 -0.15 0.00 0.02 0.00 0.00 54.13 56.82 3n1m s LEU 47 Cb -0.19 -4.04 -0.03 0.00 0.02 0.00 0.00 46.19 41.96 3n1m s LEU 47 CO 0.41 -0.48 1.06 0.00 0.02 0.00 0.00 176.35 177.36 3n1m s ALA 48 N -1.50 2.70 0.11 4.21 0.00 -1.26 -4.40 121.76 121.62 3n1m s ALA 48 Ca 0.55 0.39 -0.36 0.00 0.00 0.00 0.00 51.96 52.54 3n1m s ALA 48 Cb -0.26 -3.24 -0.16 0.00 0.00 0.00 0.00 23.12 19.46 3n1m s ALA 48 CO 0.33 -0.91 1.43 0.98 0.00 0.00 0.00 175.76 177.59 3n1m n TYR 49 N -2.18 1.80 -0.73 0.00 9.36 -1.26 -0.80 117.16 123.34 3n1m n TYR 49 Ca 0.09 0.50 0.00 0.00 3.32 0.00 0.00 57.90 61.81 3n1m n TYR 49 Cb 0.53 -2.41 0.00 0.00 -0.63 0.00 0.00 39.34 36.83 3n1m n TYR 49 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3n1m n LYS 50 N 2.86 0.00 -2.34 2.98 4.76 0.60 -5.02 118.16 122.01 3n1m n LYS 50 Ca 0.18 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.27 3n1m n LYS 50 Cb 0.23 -3.05 -0.01 0.00 -1.84 0.00 0.00 35.03 30.36 3n1m n LYS 50 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 3n1m s GLN 51 N -0.29 3.48 0.05 1.97 0.74 0.02 -4.77 119.66 120.87 3n1m s GLN 51 Ca 0.00 1.55 0.01 0.00 0.05 0.00 0.00 55.36 56.97 3n1m s GLN 51 Cb 0.00 -2.04 -0.03 0.00 1.10 0.00 0.00 33.01 32.05 3n1m s GLN 51 CO 0.00 -0.73 -0.06 -0.59 -0.55 0.00 0.00 175.29 173.37 3n1m s PHE 52 N -1.82 0.60 -0.08 1.67 -0.71 -1.26 -0.95 117.98 115.43 3n1m s PHE 52 Ca 0.71 -0.69 -0.03 0.00 -1.04 0.00 0.00 56.93 55.87 3n1m s PHE 52 Cb -0.22 -0.37 0.04 0.00 -1.21 0.00 0.00 43.02 41.26 3n1m s PHE 52 CO 0.25 -0.17 0.17 0.45 -1.34 0.00 0.00 175.22 174.58 3n1m s SER 53 N -2.10 -0.02 1.02 1.98 0.15 0.57 -3.87 113.70 111.43 3n1m s SER 53 Ca -0.04 0.36 -0.12 0.00 0.70 0.00 0.00 55.95 56.85 3n1m s SER 53 Cb -0.04 0.26 0.20 0.00 -1.71 0.00 0.00 66.02 64.73 3n1m s SER 53 CO -0.03 -0.17 1.08 -2.16 1.20 0.00 0.00 173.24 173.17 3n1m s PRO 54 N 1.37 0.21 -1.14 5.44 0.04 -1.26 -0.97 135.00 138.69 3n1m s PRO 54 Ca -0.07 1.09 -0.06 0.00 0.04 0.00 0.00 61.00 61.99 3n1m s PRO 54 Cb -0.11 -1.67 0.02 0.00 0.04 0.00 0.00 34.50 32.78 3n1m s PRO 54 CO -0.07 -3.03 2.70 -1.71 0.04 0.00 0.00 177.00 174.93 3n1m n ASN 55 N -4.46 7.73 -3.98 6.66 5.15 -1.25 -4.78 115.26 120.32 3n1m n ASN 55 Ca 0.07 -2.96 -0.09 0.00 -0.60 0.00 0.00 54.58 51.00 3n1m n ASN 55 Cb 0.54 -1.39 -0.08 0.00 -0.53 0.00 0.00 39.78 38.31 3n1m n ASN 55 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3n1m s VAL 56 N -0.34 0.11 0.57 3.44 -7.23 -1.26 -5.12 120.40 110.57 3n1m s VAL 56 Ca 0.60 -1.48 -0.20 0.00 -1.81 0.00 0.00 61.98 59.09 3n1m s VAL 56 Cb 0.23 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 3n1m s VAL 56 CO -0.10 -0.52 1.25 -2.84 -0.31 0.00 0.00 175.10 172.58 3n1m s PRO 57 N -3.95 3.07 0.27 4.82 0.02 -1.26 -4.90 135.00 133.07 3n1m s PRO 57 Ca 0.14 1.94 0.00 0.00 0.02 0.00 0.00 61.00 63.10 3n1m s PRO 57 Cb 0.05 -2.06 0.56 0.00 0.02 0.00 0.00 34.50 33.08 3n1m s PRO 57 CO -0.04 -1.16 1.78 1.49 -0.33 0.00 0.00 177.00 178.74 3n1m h GLU 58 N 1.13 0.70 -0.06 5.54 4.81 -1.96 -2.23 114.58 122.52 3n1m h GLU 58 Ca -0.50 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 3n1m h GLU 58 Cb 1.30 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3n1m h GLU 58 CO 0.56 0.47 0.00 1.63 -0.73 0.00 0.00 179.01 180.94 3n1m n LYS 59 N -4.80 1.54 -1.67 1.92 4.76 -1.26 -0.83 118.16 117.82 3n1m n LYS 59 Ca 0.18 -0.80 -0.31 0.00 -2.87 0.00 0.00 58.31 54.52 3n1m n LYS 59 Cb 0.43 -1.44 0.04 0.00 -1.84 0.00 0.00 35.03 32.22 3n1m n LYS 59 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3n1m s THR 60 N -1.94 4.22 0.51 -0.18 -4.23 -0.84 -3.08 115.64 110.09 3n1m s THR 60 Ca 0.37 0.72 0.15 0.00 -1.18 0.00 0.00 61.69 61.75 3n1m s THR 60 Cb 0.19 -3.54 0.28 0.00 1.34 0.00 0.00 72.50 70.77 3n1m s THR 60 CO 0.31 -0.94 2.12 -0.07 -0.54 0.00 0.00 174.62 175.50 3n1m h LEU 61 N -0.60 0.07 -0.12 4.79 3.38 -1.89 -0.51 115.31 120.43 3n1m h LEU 61 Ca -0.44 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3n1m h LEU 61 Cb 1.21 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3n1m h LEU 61 CO 0.58 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.77 3n1m n GLY 62 N -1.54 -1.41 0.00 0.83 0.00 -1.26 -4.61 105.19 97.21 3n1m n GLY 62 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3n1m n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n1m n ALA 63 N -1.62 0.00 1.12 4.61 0.00 -0.25 -4.86 120.51 119.51 3n1m n ALA 63 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.61 3n1m n ALA 63 Cb 0.31 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.95 3n1m n ALA 63 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3n1m n SER 64 N 0.00 1.33 -0.25 0.00 7.64 -0.01 -4.65 113.62 117.68 3n1m n SER 64 Ca 0.00 -1.06 0.03 0.00 1.01 0.00 0.00 58.87 58.85 3n1m n SER 64 Cb 0.00 0.33 -0.01 0.00 -1.01 0.00 0.00 64.21 63.53 3n1m n SER 64 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3n1m n GLY 65 N 1.39 -2.16 3.81 0.23 0.00 -0.90 -3.79 105.19 103.77 3n1m n GLY 65 Ca 0.10 -1.45 -0.32 0.00 0.00 0.00 0.00 46.02 44.35 3n1m n GLY 65 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3n1m s ARG 66 N -1.03 3.12 0.23 1.61 1.70 -1.18 -4.28 118.95 119.12 3n1m s ARG 66 Ca 0.00 1.08 -0.30 0.00 -0.47 0.00 0.00 55.73 56.04 3n1m s ARG 66 Cb 0.00 -2.01 -0.09 0.00 -0.57 0.00 0.00 34.95 32.28 3n1m s ARG 66 CO 0.00 -0.96 1.22 -0.47 -1.08 0.00 0.00 175.30 174.01 3n1m s TYR 67 N -2.75 3.36 -1.10 5.89 5.04 -1.26 -4.92 117.35 121.60 3n1m s TYR 67 Ca 0.61 1.43 0.09 0.00 -2.44 0.00 0.00 57.07 56.76 3n1m s TYR 67 Cb -0.15 -3.48 0.10 0.00 0.35 0.00 0.00 41.96 38.78 3n1m s TYR 67 CO 0.46 -1.34 0.85 0.39 -1.34 0.00 0.00 175.55 174.57 3n1m n GLU 68 N 1.99 0.64 0.00 4.97 1.02 -1.26 -5.09 120.64 122.91 3n1m n GLU 68 Ca 0.03 -1.17 0.00 0.00 -0.02 0.00 0.00 57.16 56.00 3n1m n GLU 68 Cb 0.44 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.67 3n1m n GLU 68 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3n1m n GLY 69 N 0.50 3.52 3.55 0.62 0.00 -1.26 -5.06 105.19 107.05 3n1m n GLY 69 Ca 0.06 -1.40 -0.47 0.00 0.00 0.00 0.00 46.02 44.21 3n1m n GLY 69 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3n1m n LYS 70 N 0.41 1.00 -3.66 1.61 4.81 -1.26 -4.65 118.16 116.40 3n1m n LYS 70 Ca 0.00 0.35 -0.39 0.00 -0.87 0.00 0.00 58.31 57.40 3n1m n LYS 70 Cb 0.00 -1.69 -0.12 0.00 0.02 0.00 0.00 35.03 33.24 3n1m n LYS 70 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3n1m s ILE 71 N -0.77 4.33 0.28 3.15 1.01 -0.40 -4.99 121.20 123.82 3n1m s ILE 71 Ca 0.65 -0.81 -0.07 0.00 0.00 0.00 0.00 60.65 60.42 3n1m s ILE 71 Cb -0.80 -3.36 -0.06 0.00 0.01 0.00 0.00 42.46 38.25 3n1m s ILE 71 CO 0.57 -0.12 0.58 0.00 0.00 0.00 0.00 174.94 175.96 3n1m s ALA 72 N 1.53 3.57 0.29 9.38 0.00 -1.26 -4.85 121.76 130.42 3n1m s ALA 72 Ca 0.02 -0.44 0.04 0.00 0.00 0.00 0.00 51.96 51.58 3n1m s ALA 72 Cb -0.19 -2.39 0.67 0.00 0.00 0.00 0.00 23.12 21.22 3n1m s ALA 72 CO 0.05 0.29 1.77 -0.09 0.00 0.00 0.00 175.76 177.78 3n1m h ARG 73 N 1.88 0.69 0.00 0.00 2.43 -1.98 -1.59 114.38 115.81 3n1m h ARG 73 Ca -0.47 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3n1m h ARG 73 Cb 1.18 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 3n1m h ARG 73 CO 0.67 0.46 0.00 -1.13 -1.51 0.00 0.00 179.97 178.45 3n1m n SER 74 N -4.81 0.00 -4.99 -3.80 3.41 -1.26 -4.79 113.62 97.38 3n1m n SER 74 Ca 0.21 -1.23 -0.19 0.00 -0.26 0.00 0.00 58.87 57.40 3n1m n SER 74 Cb 0.53 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.49 3n1m n SER 74 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3n1m s SER 75 N -1.64 5.73 0.19 4.04 1.04 -0.60 -5.00 113.70 117.46 3n1m s SER 75 Ca 0.24 -0.18 -0.03 0.00 0.48 0.00 0.00 55.95 56.46 3n1m s SER 75 Cb 0.11 -1.01 0.12 0.00 0.10 0.00 0.00 66.02 65.34 3n1m s SER 75 CO 0.19 -0.70 1.51 -0.33 0.98 0.00 0.00 173.24 174.89 3n1m h GLU 76 N 0.60 0.55 0.00 4.02 4.39 -1.90 -2.94 114.58 119.31 3n1m h GLU 76 Ca -0.43 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 58.92 3n1m h GLU 76 Cb 1.27 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 3n1m h GLU 76 CO 0.50 0.95 0.00 0.00 -1.16 0.00 0.00 179.01 179.31 3n1m h ARG 77 N 0.43 0.00 -0.01 2.33 3.08 -1.95 -2.12 114.38 116.14 3n1m h ARG 77 Ca 0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 3n1m h ARG 77 Cb 1.08 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.13 3n1m h ARG 77 CO 0.10 0.00 -0.09 0.35 -1.07 0.00 0.00 179.97 179.26 3n1m h PHE 78 N 0.00 0.01 0.00 3.04 3.57 -1.71 -2.01 116.94 119.84 3n1m h PHE 78 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3n1m h PHE 78 Cb 0.33 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.07 3n1m h PHE 78 CO 0.00 0.10 0.00 0.87 -2.23 0.00 0.00 178.31 177.05 3n1m h LYS 79 N 0.01 0.00 -0.01 1.11 1.57 -1.54 -2.45 116.57 115.26 3n1m h LYS 79 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3n1m h LYS 79 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3n1m h LYS 79 CO 0.01 0.00 -0.11 -0.85 -0.57 0.00 0.00 179.45 177.93 3n1m n GLU 80 N -2.33 1.40 -2.98 3.15 0.28 -0.76 -4.77 120.64 114.64 3n1m n GLU 80 Ca 0.02 -0.87 -0.40 0.00 -0.16 0.00 0.00 57.16 55.74 3n1m n GLU 80 Cb 0.22 -1.48 -0.05 0.00 1.43 0.00 0.00 31.44 31.55 3n1m n GLU 80 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3n1m s LEU 81 N -2.20 4.49 0.12 -1.84 1.43 -0.92 -4.79 118.68 114.97 3n1m s LEU 81 Ca 0.31 1.50 0.07 0.00 -1.03 0.00 0.00 54.13 54.98 3n1m s LEU 81 Cb 0.20 -3.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.14 3n1m s LEU 81 CO 0.41 0.06 -0.16 0.42 0.23 0.00 0.00 176.35 177.31 3n1m s THR 82 N -0.33 1.51 0.28 5.49 -4.23 -1.20 -4.90 115.64 112.26 3n1m s THR 82 Ca 0.38 -1.70 -0.29 0.00 -1.18 0.00 0.00 61.69 58.90 3n1m s THR 82 Cb -0.21 -1.57 -0.09 0.00 1.34 0.00 0.00 72.50 71.96 3n1m s THR 82 CO 0.24 -0.31 1.15 -2.84 -0.54 0.00 0.00 174.62 172.32 3n1m s PRO 83 N -2.48 4.56 -0.37 3.99 0.02 -1.26 -3.27 135.00 136.20 3n1m s PRO 83 Ca 0.09 1.90 -0.20 0.00 0.02 0.00 0.00 61.00 62.81 3n1m s PRO 83 Cb -0.07 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.29 3n1m s PRO 83 CO 0.04 0.09 0.61 1.21 -0.33 0.00 0.00 177.00 178.63 3n1m s ASN 84 N -0.66 6.39 -0.27 2.53 3.04 0.22 -4.94 114.94 121.25 3n1m s ASN 84 Ca 0.46 0.05 0.12 0.00 0.04 0.00 0.00 52.86 53.53 3n1m s ASN 84 Cb -0.34 -2.31 0.62 0.00 -1.54 0.00 0.00 41.25 37.68 3n1m s ASN 84 CO 0.43 -0.60 1.60 -1.22 -3.04 0.00 0.00 177.10 174.28 3n1m n TYR 85 N 6.01 1.65 -1.68 0.43 4.01 -1.26 -4.81 117.16 121.51 3n1m n TYR 85 Ca -0.02 -1.22 -0.43 0.00 -0.16 0.00 0.00 57.90 56.07 3n1m n TYR 85 Cb 0.49 -0.53 -0.03 0.00 -0.31 0.00 0.00 39.34 38.95 3n1m n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3n1m n ASN 86 N -0.55 3.98 0.13 7.72 2.85 -1.26 -4.83 115.26 123.31 3n1m n ASN 86 Ca 0.33 0.96 0.12 0.00 -0.11 0.00 0.00 54.58 55.88 3n1m n ASN 86 Cb 1.15 -1.51 0.50 0.00 1.24 0.00 0.00 39.78 41.16 3n1m n ASN 86 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3n1m n PRO 87 N 6.40 0.18 -0.31 1.20 -0.02 -1.26 -2.20 135.00 139.00 3n1m n PRO 87 Ca 0.19 0.46 0.07 0.00 -2.02 0.00 0.00 63.50 62.20 3n1m n PRO 87 Cb 0.37 -1.88 0.23 0.00 -0.02 0.00 0.00 33.50 32.20 3n1m n PRO 87 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3n1m n ASP 88 N -2.24 2.88 -4.29 2.55 8.00 -1.26 -4.85 116.55 117.33 3n1m n ASP 88 Ca 0.02 -2.10 -0.31 0.00 0.71 0.00 0.00 54.79 53.11 3n1m n ASP 88 Cb 0.20 -0.38 -0.16 0.00 -0.02 0.00 0.00 41.12 40.76 3n1m n ASP 88 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3n1m s ILE 89 N -1.48 1.99 -0.19 0.53 1.01 -0.94 -4.06 121.20 118.06 3n1m s ILE 89 Ca 0.33 -1.07 -0.15 0.00 0.00 0.00 0.00 60.65 59.76 3n1m s ILE 89 Cb 0.19 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 3n1m s ILE 89 CO 0.20 0.56 0.37 -0.63 0.00 0.00 0.00 174.94 175.45 3n1m s ILE 90 N -0.55 5.23 -0.23 2.92 1.01 -0.23 -4.91 121.20 124.44 3n1m s ILE 90 Ca 0.08 0.66 -0.07 0.00 0.00 0.00 0.00 60.65 61.33 3n1m s ILE 90 Cb -0.10 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 3n1m s ILE 90 CO -0.01 0.28 0.05 -0.36 0.00 0.00 0.00 174.94 174.91 3n1m s PHE 91 N 1.13 3.09 0.11 3.97 0.08 -1.26 -0.23 117.98 124.87 3n1m s PHE 91 Ca 0.18 -0.37 -0.21 0.00 0.12 0.00 0.00 56.93 56.65 3n1m s PHE 91 Cb -0.14 -2.18 -0.08 0.00 -0.57 0.00 0.00 43.02 40.04 3n1m s PHE 91 CO 0.07 -0.26 1.72 -0.22 -0.10 0.00 0.00 175.22 176.43 3n1m h LYS 92 N 7.86 0.00 -6.19 0.44 3.64 -1.34 -3.46 116.57 117.52 3n1m h LYS 92 Ca -0.37 -0.00 -0.44 0.00 -1.27 0.00 0.00 60.65 58.56 3n1m h LYS 92 Cb 1.18 -0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.02 3n1m h LYS 92 CO 0.60 0.00 -0.82 -3.47 -2.27 0.00 0.00 179.45 173.49 3n1m n ASP 93 N -5.15 -1.86 0.29 4.20 2.03 -1.26 -4.83 116.55 109.96 3n1m n ASP 93 Ca -0.05 -0.83 0.17 0.00 0.52 0.00 0.00 54.79 54.61 3n1m n ASP 93 Cb 0.08 -3.89 0.85 0.00 -0.72 0.00 0.00 41.12 37.44 3n1m n ASP 93 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3n1m h GLU 94 N -1.91 0.00 0.00 -0.67 9.09 -1.89 -1.79 114.58 117.41 3n1m h GLU 94 Ca -0.61 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 58.80 3n1m h GLU 94 Cb 1.36 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.46 3n1m h GLU 94 CO 0.60 0.04 -0.02 0.93 0.05 0.00 0.00 179.01 180.61 3n1m h GLU 95 N 0.00 0.00 -6.48 1.06 3.07 -1.97 -3.47 114.58 106.78 3n1m h GLU 95 Ca -0.00 0.00 -0.50 0.00 -0.50 0.00 0.00 59.36 58.35 3n1m h GLU 95 Cb 0.32 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 28.13 3n1m h GLU 95 CO 0.01 0.02 -0.81 -1.71 -1.40 0.00 0.00 179.01 175.12 3n1m n ASN 96 N -3.11 -3.53 0.00 1.42 5.15 -0.67 -4.86 115.26 109.65 3n1m n ASN 96 Ca 0.01 -0.90 0.00 0.00 -0.60 0.00 0.00 54.58 53.09 3n1m n ASN 96 Cb 0.33 -3.37 0.00 0.00 -0.53 0.00 0.00 39.78 36.21 3n1m n ASN 96 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3n1m n THR 97 N -4.52 0.00 -1.02 -0.44 -2.24 -1.26 -5.03 114.28 99.78 3n1m n THR 97 Ca -0.00 -0.23 -0.01 0.00 -2.27 0.00 0.00 64.05 61.54 3n1m n THR 97 Cb 0.54 0.83 -0.00 0.00 -2.10 0.00 0.00 70.33 69.60 3n1m n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3n1m n GLY 98 N 0.84 0.41 0.36 3.38 0.00 -1.26 -4.92 105.19 104.00 3n1m n GLY 98 Ca 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 46.02 45.96 3n1m n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n1m h ALA 99 N 0.00 1.51 0.00 4.61 0.00 -1.96 -1.68 119.26 121.74 3n1m h ALA 99 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3n1m h ALA 99 Cb 0.29 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3n1m h ALA 99 CO 0.02 0.41 -0.03 -0.44 0.00 0.00 0.00 179.25 179.20 3n1m h ASP 100 N 1.01 0.00 1.73 0.00 3.32 -1.92 -0.62 116.42 119.94 3n1m h ASP 100 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 3n1m h ASP 100 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3n1m h ASP 100 CO -0.10 0.03 0.00 0.03 -1.72 0.00 0.00 179.24 177.48 3n1m h ARG 101 N 0.00 0.00 -6.48 3.56 3.08 -1.62 -3.32 114.38 109.60 3n1m h ARG 101 Ca -0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 3n1m h ARG 101 Cb 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 3n1m h ARG 101 CO 0.00 0.00 0.35 -0.51 -1.07 0.00 0.00 179.97 178.74 3n1m s LEU 102 N -5.84 4.44 0.02 3.04 1.43 -0.24 -0.61 118.68 120.92 3n1m s LEU 102 Ca 0.07 1.71 -0.29 0.00 -1.03 0.00 0.00 54.13 54.59 3n1m s LEU 102 Cb 0.07 -3.55 0.10 0.00 0.03 0.00 0.00 46.19 42.83 3n1m s LEU 102 CO 0.63 -0.15 1.00 0.00 0.23 0.00 0.00 176.35 178.06 3n1m s MET 103 N 0.44 0.82 0.77 1.70 0.23 -1.20 -1.73 119.30 120.32 3n1m s MET 103 Ca 0.48 -0.38 -0.11 0.00 -1.03 0.00 0.00 55.69 54.65 3n1m s MET 103 Cb -0.22 0.33 0.05 0.00 -1.53 0.00 0.00 34.83 33.46 3n1m s MET 103 CO 0.28 -0.37 1.08 0.95 -2.03 0.00 0.00 175.02 174.94 3n1m s THR 104 N -3.00 3.45 0.27 3.16 -4.23 -0.58 -3.22 115.64 111.48 3n1m s THR 104 Ca 0.09 0.47 -0.02 0.00 -1.18 0.00 0.00 61.69 61.05 3n1m s THR 104 Cb -0.00 -3.10 0.27 0.00 1.34 0.00 0.00 72.50 71.01 3n1m s THR 104 CO -0.04 -0.61 1.88 -0.61 -0.54 0.00 0.00 174.62 174.69 3n1m h GLN 105 N -1.02 1.13 -0.71 3.99 5.75 -1.92 0.76 115.11 123.08 3n1m h GLN 105 Ca -0.45 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 57.93 3n1m h GLN 105 Cb 1.24 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 29.50 3n1m h GLN 105 CO 0.55 0.75 0.25 -0.09 -2.65 0.00 0.00 178.83 177.64 3n1m h ARG 106 N 1.16 1.08 -0.32 1.69 2.43 -1.93 0.40 114.38 118.90 3n1m h ARG 106 Ca 0.44 -0.21 -0.07 0.00 -0.81 0.00 0.00 59.98 59.32 3n1m h ARG 106 Cb 0.19 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3n1m h ARG 106 CO -0.18 0.91 -0.09 0.00 -1.51 0.00 0.00 179.97 179.09 3n1m h LYS 108 N 0.39 0.54 -0.59 0.00 3.64 -0.49 -0.21 116.57 119.86 3n1m h LYS 108 Ca 0.08 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 3n1m h LYS 108 Cb 0.59 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 3n1m h LYS 108 CO 0.03 0.36 0.28 -0.44 -2.27 0.00 0.00 179.45 177.42 3n1m h ASP 109 N 0.56 0.78 -0.55 4.20 3.32 -0.83 -0.26 116.42 123.64 3n1m h ASP 109 Ca 0.18 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 3n1m h ASP 109 Cb -0.01 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 3n1m h ASP 109 CO -0.07 0.69 0.04 0.03 -1.72 0.00 0.00 179.24 178.21 3n1m h ARG 110 N 0.81 0.94 -0.65 3.56 2.47 -1.29 -1.91 114.38 118.31 3n1m h ARG 110 Ca 0.20 -0.28 -0.07 0.00 -1.26 0.00 0.00 59.98 58.58 3n1m h ARG 110 Cb 0.12 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.32 3n1m h ARG 110 CO -0.03 0.94 0.14 1.25 0.56 0.00 0.00 179.97 182.83 3n1m h LEU 111 N 0.82 0.98 -0.53 3.04 5.85 -0.77 -0.55 115.31 124.15 3n1m h LEU 111 Ca 0.16 -0.21 -0.13 0.00 0.84 0.00 0.00 57.88 58.55 3n1m h LEU 111 Cb 0.49 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3n1m h LEU 111 CO 0.02 0.95 -0.20 0.78 -0.34 0.00 0.00 178.44 179.65 3n1m h ASN 112 N 0.98 1.00 -0.71 1.25 2.35 -0.96 0.71 115.58 120.20 3n1m h ASN 112 Ca 0.20 -0.37 -0.03 0.00 -0.55 0.00 0.00 56.30 55.55 3n1m h ASN 112 Cb 0.37 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 3n1m h ASN 112 CO 0.00 1.16 0.31 0.28 -1.65 0.00 0.00 177.43 177.53 3n1m h SER 113 N 0.85 0.96 -0.66 5.81 0.02 -1.02 -2.70 113.55 116.81 3n1m h SER 113 Ca 0.11 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 3n1m h SER 113 Cb 0.77 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 3n1m h SER 113 CO 0.06 0.85 0.25 0.25 -1.14 0.00 0.00 176.83 177.11 3n1m h LEU 114 N 1.01 0.95 -1.03 5.07 5.85 -0.76 -2.29 115.31 124.11 3n1m h LEU 114 Ca 0.24 -0.15 0.08 0.00 0.84 0.00 0.00 57.88 58.89 3n1m h LEU 114 Cb 0.17 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 40.88 3n1m h LEU 114 CO -0.02 0.86 0.64 0.00 -0.34 0.00 0.00 178.44 179.57 3n1m h ALA 115 N 1.27 1.45 -0.20 1.25 0.00 -0.54 -0.90 119.26 121.60 3n1m h ALA 115 Ca 0.23 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3n1m h ALA 115 Cb 0.22 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3n1m h ALA 115 CO -0.02 0.38 -0.01 0.82 0.00 0.00 0.00 179.25 180.43 3n1m h ILE 116 N 1.12 1.26 0.00 0.00 2.04 -1.33 -2.79 117.51 117.81 3n1m h ILE 116 Ca 0.44 -0.91 -0.10 0.00 1.00 0.00 0.00 64.86 65.30 3n1m h ILE 116 Cb 0.25 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 3n1m h ILE 116 CO -0.19 0.28 -0.48 0.77 0.00 0.00 0.00 178.15 178.53 3n1m h SER 117 N 0.10 0.00 -0.17 1.72 4.64 -0.84 -2.18 113.55 116.82 3n1m h SER 117 Ca 0.05 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.36 3n1m h SER 117 Cb 0.42 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 3n1m h SER 117 CO 0.01 0.48 0.04 0.58 -0.87 0.00 0.00 176.83 177.06 3n1m h VAL 118 N 0.00 1.21 -0.45 0.95 2.07 -1.19 0.06 116.25 118.90 3n1m h VAL 118 Ca -0.00 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 3n1m h VAL 118 Cb 0.89 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 3n1m h VAL 118 CO 0.06 0.21 0.22 0.24 0.02 0.00 0.00 177.57 178.32 3n1m h MET 119 N 0.08 0.63 0.00 1.57 2.07 -1.31 -1.50 114.93 116.46 3n1m h MET 119 Ca 0.05 -0.07 -0.13 0.00 -2.07 0.00 0.00 59.70 57.48 3n1m h MET 119 Cb 0.28 -0.13 -0.02 0.00 -1.87 0.00 0.00 31.60 29.87 3n1m h MET 119 CO 0.00 0.49 -0.64 -0.91 1.07 0.00 0.00 176.91 176.93 3n1m h ASN 120 N 0.63 0.00 0.07 1.22 2.35 -1.20 -2.75 115.58 115.91 3n1m h ASN 120 Ca 0.16 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.65 3n1m h ASN 120 Cb 0.07 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.45 3n1m h ASN 120 CO -0.02 0.64 -1.01 -0.61 -1.65 0.00 0.00 177.43 174.77 3n1m h GLN 121 N 0.00 0.65 -2.46 0.81 5.75 -0.52 -3.18 115.11 116.16 3n1m h GLN 121 Ca -0.01 -0.69 -0.59 0.00 -0.15 0.00 0.00 58.65 57.21 3n1m h GLN 121 Cb 1.17 0.19 -0.39 0.00 1.07 0.00 0.00 27.48 29.53 3n1m h GLN 121 CO 0.08 1.28 -0.92 -1.58 -2.65 0.00 0.00 178.83 175.04 3n1m s TRP 122 N -3.33 1.35 0.19 3.99 0.51 -0.61 -4.73 118.94 116.32 3n1m s TRP 122 Ca -0.09 -2.40 -0.33 0.00 -2.12 0.00 0.00 56.10 51.16 3n1m s TRP 122 Cb 0.07 -1.12 -0.14 0.00 -0.81 0.00 0.00 33.47 31.47 3n1m s TRP 122 CO 0.91 -0.80 1.43 -2.30 -0.51 0.00 0.00 176.95 175.68 3n1m n PRO 123 N 2.82 1.88 -0.23 4.98 -0.02 -1.04 -0.88 135.00 142.52 3n1m n PRO 123 Ca 0.28 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 3n1m n PRO 123 Cb 0.46 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 3n1m n PRO 123 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3n1m n GLY 124 N 2.56 0.67 3.27 -1.23 0.00 -1.26 -5.07 105.19 104.13 3n1m n GLY 124 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 3n1m n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3n1m s VAL 125 N -2.50 1.71 0.25 1.61 1.01 -0.06 -5.01 120.40 117.40 3n1m s VAL 125 Ca 0.00 -1.40 0.06 0.00 0.00 0.00 0.00 61.98 60.63 3n1m s VAL 125 Cb 0.00 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 3n1m s VAL 125 CO 0.00 0.06 -0.06 -0.54 0.00 0.00 0.00 175.10 174.56 3n1m s LYS 126 N -1.60 1.43 0.27 2.72 1.02 -1.26 -4.10 119.74 118.22 3n1m s LYS 126 Ca 0.07 -1.71 -0.29 0.00 0.02 0.00 0.00 55.97 54.06 3n1m s LYS 126 Cb -0.09 -0.97 -0.10 0.00 -0.52 0.00 0.00 37.83 36.15 3n1m s LYS 126 CO 0.03 0.02 1.24 -1.17 -0.92 0.00 0.00 175.35 174.55 3n1m s LEU 127 N -3.37 4.46 -0.05 3.17 2.96 -1.26 -0.06 118.68 124.54 3n1m s LEU 127 Ca 0.27 2.47 0.04 0.00 -0.22 0.00 0.00 54.13 56.69 3n1m s LEU 127 Cb 0.04 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 43.10 3n1m s LEU 127 CO 0.10 -0.40 -0.16 -0.60 -1.32 0.00 0.00 176.35 173.97 3n1m s ARG 128 N -1.18 1.70 -0.21 1.98 3.52 -0.24 -1.07 118.95 123.45 3n1m s ARG 128 Ca 0.50 -0.55 -0.06 0.00 -0.13 0.00 0.00 55.73 55.49 3n1m s ARG 128 Cb -0.36 -1.46 -0.03 0.00 -1.56 0.00 0.00 34.95 31.54 3n1m s ARG 128 CO 0.45 0.19 0.02 0.08 -0.81 0.00 0.00 175.30 175.24 3n1m s VAL 129 N 0.15 4.14 -0.06 7.11 1.01 0.68 -0.82 120.40 132.61 3n1m s VAL 129 Ca -0.06 -0.25 0.13 0.00 0.00 0.00 0.00 61.98 61.80 3n1m s VAL 129 Cb -0.12 -2.89 -0.23 0.00 0.00 0.00 0.00 36.38 33.14 3n1m s VAL 129 CO 0.02 0.41 0.59 0.35 0.00 0.00 0.00 175.10 176.47 3n1m n THR 130 N 4.34 1.59 -3.73 3.92 -2.24 0.02 -0.97 114.28 117.21 3n1m n THR 130 Ca -0.17 -0.80 -0.13 0.00 -2.27 0.00 0.00 64.05 60.68 3n1m n THR 130 Cb 0.52 -1.00 -0.14 0.00 -2.10 0.00 0.00 70.33 67.61 3n1m n THR 130 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3n1m s GLU 131 N -2.59 0.16 0.00 -0.78 0.41 -1.20 -4.66 118.70 110.04 3n1m s GLU 131 Ca -0.06 0.49 0.00 0.00 -0.41 0.00 0.00 54.97 54.99 3n1m s GLU 131 Cb 0.08 -0.14 0.00 0.00 -1.78 0.00 0.00 34.13 32.28 3n1m s GLU 131 CO 0.82 -0.18 0.00 0.41 -0.49 0.00 0.00 175.26 175.83 3n1m n GLY 132 N 4.33 1.40 3.76 -1.39 0.00 -1.25 -1.04 105.19 110.99 3n1m n GLY 132 Ca -0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 3n1m n GLY 132 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3n1m s TRP 133 N 3.40 2.36 0.00 1.61 -0.00 -0.71 -4.75 118.94 120.86 3n1m s TRP 133 Ca 0.00 1.35 0.05 0.00 -0.00 0.00 0.00 56.10 57.50 3n1m s TRP 133 Cb 0.00 -3.81 -0.01 0.00 -0.00 0.00 0.00 33.47 29.64 3n1m s TRP 133 CO 0.00 -2.84 -0.15 0.34 -0.00 0.00 0.00 176.95 174.30 3n1m s ASP 134 N -0.85 1.73 0.00 5.86 2.15 -0.98 -4.25 116.67 120.33 3n1m s ASP 134 Ca 0.68 -0.32 0.00 0.00 0.43 0.00 0.00 52.55 53.34 3n1m s ASP 134 Cb -0.41 -0.17 0.00 0.00 -0.30 0.00 0.00 42.92 42.04 3n1m s ASP 134 CO 0.49 0.14 0.63 -1.84 -0.17 0.00 0.00 175.17 174.42 3n1m n GLU 135 N 2.48 0.87 0.10 4.34 0.28 -1.26 -4.61 120.64 122.85 3n1m n GLU 135 Ca -0.15 -0.82 -0.04 0.00 -0.16 0.00 0.00 57.16 55.99 3n1m n GLU 135 Cb 0.55 -0.84 0.06 0.00 1.43 0.00 0.00 31.44 32.63 3n1m n GLU 135 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 3n1m h ASP 136 N 0.00 0.06 0.00 -1.84 3.32 -2.02 -3.48 116.42 112.45 3n1m h ASP 136 Ca 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3n1m h ASP 136 Cb 0.44 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3n1m h ASP 136 CO 0.00 0.80 0.00 0.61 -1.72 0.00 0.00 179.24 178.93 3n1m n GLY 137 N 0.66 0.78 0.08 2.75 0.00 -1.26 -4.99 105.19 103.21 3n1m n GLY 137 Ca -0.01 -0.34 0.12 0.00 0.00 0.00 0.00 46.02 45.78 3n1m n GLY 137 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3n1m h HIS 138 N 0.00 0.00 -4.14 1.61 2.07 -1.99 -3.47 115.15 109.24 3n1m h HIS 138 Ca 0.00 0.00 -0.49 0.00 -2.85 0.00 0.00 60.37 57.03 3n1m h HIS 138 Cb 0.00 0.00 0.06 0.00 2.57 0.00 0.00 27.41 30.04 3n1m h HIS 138 CO 0.00 0.00 0.39 -1.01 -3.07 0.00 0.00 177.93 174.24 3n1m s HIS 139 N -3.19 2.87 0.63 6.12 3.76 -1.26 -4.99 115.29 119.24 3n1m s HIS 139 Ca 0.06 1.54 -0.18 0.00 -0.15 0.00 0.00 55.06 56.33 3n1m s HIS 139 Cb 0.12 -3.11 -0.03 0.00 1.11 0.00 0.00 32.58 30.67 3n1m s HIS 139 CO 0.71 -1.21 1.06 -1.13 -0.85 0.00 0.00 174.74 173.32 3n1m n SER 140 N -1.60 1.10 -4.74 1.40 3.41 -1.26 -4.85 113.62 107.07 3n1m n SER 140 Ca 0.10 0.79 -0.38 0.00 -0.26 0.00 0.00 58.87 59.11 3n1m n SER 140 Cb 0.52 -1.44 0.05 0.00 -0.26 0.00 0.00 64.21 63.08 3n1m n SER 140 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3n1m n GLU 141 N -1.41 1.63 -0.96 4.33 -0.58 -1.26 -1.01 120.64 121.38 3n1m n GLU 141 Ca 0.15 0.60 0.00 0.00 -0.42 0.00 0.00 57.16 57.49 3n1m n GLU 141 Cb 0.48 -2.58 0.00 0.00 -0.57 0.00 0.00 31.44 28.77 3n1m n GLU 141 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3n1m n GLU 142 N -1.15 -0.99 -1.73 3.49 1.02 -1.26 -4.99 120.64 115.03 3n1m n GLU 142 Ca 0.11 0.25 -0.42 0.00 -0.02 0.00 0.00 57.16 57.08 3n1m n GLU 142 Cb 0.45 -4.07 -0.01 0.00 -0.02 0.00 0.00 31.44 27.79 3n1m n GLU 142 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3n1m n SER 143 N -0.50 3.35 0.16 1.62 2.88 -0.18 -4.81 113.62 116.14 3n1m n SER 143 Ca 0.00 1.19 0.12 0.00 -1.33 0.00 0.00 58.87 58.85 3n1m n SER 143 Cb 0.25 -1.54 0.56 0.00 -0.75 0.00 0.00 64.21 62.73 3n1m n SER 143 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3n1m h LEU 144 N 3.51 0.00 -1.41 2.46 3.38 -1.93 -1.91 115.31 119.40 3n1m h LEU 144 Ca -0.47 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.56 3n1m h LEU 144 Cb 1.25 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.96 3n1m h LEU 144 CO 0.69 0.00 0.46 0.45 0.09 0.00 0.00 178.44 180.14 3n1m h HIS 145 N 0.00 0.72 0.00 1.13 3.86 -1.85 -1.79 115.15 117.22 3n1m h HIS 145 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3n1m h HIS 145 Cb 0.22 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.46 3n1m h HIS 145 CO 0.00 0.38 0.00 0.66 0.86 0.00 0.00 177.93 179.83 3n1m n TYR 146 N -4.48 0.35 0.42 2.45 4.01 -0.72 -2.16 117.16 117.02 3n1m n TYR 146 Ca 0.10 0.13 0.09 0.00 -0.16 0.00 0.00 57.90 58.07 3n1m n TYR 146 Cb 0.24 -0.71 0.13 0.00 -0.31 0.00 0.00 39.34 38.69 3n1m n TYR 146 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3n1m n GLU 147 N -1.81 1.93 -1.26 -0.72 1.02 -0.74 -1.28 120.64 117.79 3n1m n GLU 147 Ca 0.03 -1.85 -0.09 0.00 -0.02 0.00 0.00 57.16 55.24 3n1m n GLU 147 Cb 0.21 -1.38 -0.04 0.00 -0.02 0.00 0.00 31.44 30.22 3n1m n GLU 147 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3n1m n GLY 148 N 1.06 1.05 1.10 0.62 0.00 -0.92 -4.70 105.19 103.40 3n1m n GLY 148 Ca 0.13 -0.58 0.10 0.00 0.00 0.00 0.00 46.02 45.68 3n1m n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n1m n ARG 149 N -2.64 2.64 -3.91 1.61 1.74 -0.82 -1.53 116.66 113.75 3n1m n ARG 149 Ca -0.09 -2.38 -0.10 0.00 -0.77 0.00 0.00 57.85 54.51 3n1m n ARG 149 Cb 0.30 -1.47 -0.10 0.00 -1.02 0.00 0.00 32.46 30.18 3n1m n ARG 149 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3n1m s ALA 150 N -1.09 -0.14 0.05 7.54 0.00 -1.22 -0.72 121.76 126.18 3n1m s ALA 150 Ca 0.39 -0.41 0.04 0.00 0.00 0.00 0.00 51.96 51.97 3n1m s ALA 150 Cb 0.21 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.50 3n1m s ALA 150 CO 0.28 -0.27 -0.11 0.14 0.00 0.00 0.00 175.76 175.80 3n1m s VAL 151 N -2.11 0.82 -0.14 0.00 -7.23 -0.05 -4.21 120.40 107.47 3n1m s VAL 151 Ca -0.09 -1.08 -0.03 0.00 -1.81 0.00 0.00 61.98 58.97 3n1m s VAL 151 Cb -0.04 -0.81 -0.03 0.00 0.56 0.00 0.00 36.38 36.06 3n1m s VAL 151 CO -0.02 -0.23 -0.04 -1.81 -0.31 0.00 0.00 175.10 172.69 3n1m s ASP 152 N -1.45 4.81 0.10 4.85 1.01 -0.21 -1.01 116.67 124.77 3n1m s ASP 152 Ca -0.04 -0.10 0.03 0.00 0.71 0.00 0.00 52.55 53.15 3n1m s ASP 152 Cb -0.09 -1.68 -0.04 0.00 1.01 0.00 0.00 42.92 42.12 3n1m s ASP 152 CO 0.01 0.21 -0.09 0.27 0.21 0.00 0.00 175.17 175.78 3n1m s ILE 153 N 0.12 0.90 0.35 0.77 -4.36 0.02 -0.80 121.20 118.20 3n1m s ILE 153 Ca -0.01 -1.69 0.06 0.00 -0.26 0.00 0.00 60.65 58.75 3n1m s ILE 153 Cb -0.14 -1.41 -0.03 0.00 1.25 0.00 0.00 42.46 42.14 3n1m s ILE 153 CO 0.03 -0.61 0.24 0.42 0.24 0.00 0.00 174.94 175.25 3n1m s THR 154 N -2.64 0.15 0.56 8.37 -4.23 0.00 -1.45 115.64 116.40 3n1m s THR 154 Ca 0.06 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.50 3n1m s THR 154 Cb -0.02 -2.44 -0.03 0.00 1.34 0.00 0.00 72.50 71.35 3n1m s THR 154 CO -0.01 0.00 0.91 0.42 -0.54 0.00 0.00 174.62 175.40 3n1m s THR 155 N -3.39 4.55 -0.34 3.99 -4.23 -1.26 -1.07 115.64 113.89 3n1m s THR 155 Ca 0.36 0.41 0.27 0.00 -1.18 0.00 0.00 61.69 61.55 3n1m s THR 155 Cb 0.02 -3.78 0.30 0.00 1.34 0.00 0.00 72.50 70.39 3n1m s THR 155 CO 0.24 -0.88 1.79 0.77 -0.54 0.00 0.00 174.62 176.01 3n1m h SER 156 N -0.08 0.00 0.07 3.99 4.64 -0.78 -1.71 113.55 119.69 3n1m h SER 156 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3n1m h SER 156 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3n1m h SER 156 CO 0.62 0.00 -0.10 -0.90 -0.87 0.00 0.00 176.83 175.58 3n1m n ASP 157 N -2.55 1.40 -2.62 4.97 5.68 -1.26 -4.93 116.55 117.23 3n1m n ASP 157 Ca 0.02 -1.30 -0.18 0.00 -0.50 0.00 0.00 54.79 52.83 3n1m n ASP 157 Cb 0.30 0.05 -0.00 0.00 -1.14 0.00 0.00 41.12 40.33 3n1m n ASP 157 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3n1m n ARG 158 N -0.08 -2.57 -2.52 0.11 3.00 -0.64 -4.91 116.66 109.05 3n1m n ARG 158 Ca 0.16 0.76 -0.42 0.00 -0.01 0.00 0.00 57.85 58.34 3n1m n ARG 158 Cb 0.36 -5.43 -0.03 0.00 0.00 0.00 0.00 32.46 27.37 3n1m n ARG 158 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3n1m s ASP 159 N -2.21 6.27 0.62 0.55 2.15 -1.26 -4.89 116.67 117.89 3n1m s ASP 159 Ca 0.09 -0.01 0.40 0.00 0.43 0.00 0.00 52.55 53.46 3n1m s ASP 159 Cb -0.04 -2.55 1.98 0.00 -0.30 0.00 0.00 42.92 42.00 3n1m s ASP 159 CO 0.11 -1.66 2.21 0.03 -0.17 0.00 0.00 175.17 175.69 3n1m h ARG 160 N 10.14 0.00 0.00 4.34 3.08 -1.92 -0.54 114.38 129.49 3n1m h ARG 160 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.79 3n1m h ARG 160 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3n1m h ARG 160 CO 1.21 0.00 0.00 -0.91 -1.07 0.00 0.00 179.97 179.21 3n1m h ASN 161 N 0.00 0.00 0.23 7.04 2.35 -1.98 -1.90 115.58 121.32 3n1m h ASN 161 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3n1m h ASN 161 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 3n1m h ASN 161 CO 0.00 0.00 -0.43 0.29 -1.65 0.00 0.00 177.43 175.64 3n1m n LYS 162 N -2.68 0.62 0.07 0.81 5.02 -0.21 -4.55 118.16 117.23 3n1m n LYS 162 Ca -0.00 -0.41 -0.08 0.00 -2.02 0.00 0.00 58.31 55.79 3n1m n LYS 162 Cb 0.16 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 33.72 3n1m n LYS 162 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 3n1m h TYR 163 N 1.01 0.43 -0.82 2.13 -1.99 -1.46 0.32 116.97 116.59 3n1m h TYR 163 Ca 0.00 -0.20 0.00 0.00 2.00 0.00 0.00 58.73 60.54 3n1m h TYR 163 Cb 0.55 -0.07 -0.04 0.00 2.00 0.00 0.00 36.73 39.17 3n1m h TYR 163 CO 0.00 0.94 0.53 0.78 -0.00 0.00 0.00 178.16 180.41 3n1m h GLY 164 N 1.45 1.17 1.08 3.88 0.00 -1.78 0.13 103.07 109.00 3n1m h GLY 164 Ca -0.03 -0.46 -0.13 0.00 0.00 0.00 0.00 47.33 46.71 3n1m h GLY 164 CO 0.12 0.45 -0.26 1.41 0.00 0.00 0.00 176.54 178.25 3n1m h LEU 165 N 1.12 0.96 -0.89 3.11 3.38 -1.75 -1.52 115.31 119.73 3n1m h LEU 165 Ca 0.30 -0.42 0.05 0.00 0.09 0.00 0.00 57.88 57.89 3n1m h LEU 165 Cb -0.10 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.33 3n1m h LEU 165 CO -0.06 1.18 0.57 0.25 0.09 0.00 0.00 178.44 180.46 3n1m h LEU 166 N 0.75 0.93 -0.69 1.67 5.85 -0.57 0.31 115.31 123.56 3n1m h LEU 166 Ca 0.09 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3n1m h LEU 166 Cb 0.84 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 3n1m h LEU 166 CO 0.07 0.62 0.35 0.00 -0.34 0.00 0.00 178.44 179.14 3n1m h ALA 167 N 1.39 0.89 -0.61 1.25 0.00 -0.52 -0.62 119.26 121.04 3n1m h ALA 167 Ca 0.37 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 3n1m h ALA 167 Cb 0.07 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3n1m h ALA 167 CO -0.14 0.44 0.23 -0.09 0.00 0.00 0.00 179.25 179.69 3n1m h ARG 168 N 0.96 0.93 -0.26 0.00 9.65 -0.63 -1.25 114.38 123.79 3n1m h ARG 168 Ca 0.24 -0.18 -0.00 0.00 -1.10 0.00 0.00 59.98 58.94 3n1m h ARG 168 Cb 0.10 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.52 3n1m h ARG 168 CO -0.03 0.80 0.14 -0.07 2.80 0.00 0.00 179.97 183.61 3n1m h LEU 169 N 0.86 0.31 -0.73 3.80 3.38 -0.57 -0.71 115.31 121.64 3n1m h LEU 169 Ca 0.20 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.04 3n1m h LEU 169 Cb 0.23 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3n1m h LEU 169 CO -0.01 0.25 -0.26 0.00 0.09 0.00 0.00 178.44 178.51 3n1m h ALA 170 N 1.81 0.91 -0.37 1.53 0.00 -0.17 0.95 119.26 123.93 3n1m h ALA 170 Ca 0.09 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 3n1m h ALA 170 Cb 0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3n1m h ALA 170 CO -0.02 0.62 0.10 0.28 0.00 0.00 0.00 179.25 180.23 3n1m h VAL 171 N 0.60 1.22 0.00 0.00 2.07 -0.14 -2.60 116.25 117.39 3n1m h VAL 171 Ca 0.08 -0.74 -0.04 0.00 0.82 0.00 0.00 66.70 66.83 3n1m h VAL 171 Cb 0.75 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 3n1m h VAL 171 CO 0.06 0.25 -0.18 -0.33 0.02 0.00 0.00 177.57 177.39 3n1m h GLU 172 N 0.44 0.00 0.00 1.57 5.08 -0.76 -1.30 114.58 119.61 3n1m h GLU 172 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3n1m h GLU 172 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3n1m h GLU 172 CO -0.00 0.18 0.00 0.00 -1.00 0.00 0.00 179.01 178.19 3n1m n ALA 173 N -2.34 2.22 -0.14 3.43 0.00 0.29 -4.92 120.51 119.06 3n1m n ALA 173 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3n1m n ALA 173 Cb 0.28 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3n1m n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n1m n GLY 174 N 1.24 0.93 3.72 0.00 0.00 -0.49 -4.66 105.19 105.93 3n1m n GLY 174 Ca 0.06 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3n1m n GLY 174 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3n1m n PHE 175 N -2.14 2.48 0.40 1.61 3.72 -1.07 -4.89 117.46 117.57 3n1m n PHE 175 Ca 0.00 0.51 0.13 0.00 -0.05 0.00 0.00 57.45 58.04 3n1m n PHE 175 Cb 0.00 -2.45 0.30 0.00 -0.94 0.00 0.00 39.48 36.39 3n1m n PHE 175 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3n1m h ASP 176 N 2.59 0.00 -3.58 4.37 3.32 -1.57 -3.44 116.42 118.12 3n1m h ASP 176 Ca -0.48 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.46 3n1m h ASP 176 Cb 1.27 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.57 3n1m h ASP 176 CO 0.63 0.00 -0.25 0.86 -1.72 0.00 0.00 179.24 178.75 3n1m s TRP 177 N -3.18 -0.53 -0.03 4.55 -0.00 -0.97 -4.11 118.94 114.68 3n1m s TRP 177 Ca 0.08 1.21 0.01 0.00 -0.00 0.00 0.00 56.10 57.40 3n1m s TRP 177 Cb 0.08 0.21 0.02 0.00 -0.00 0.00 0.00 33.47 33.78 3n1m s TRP 177 CO 0.63 -0.28 -0.03 0.08 -0.00 0.00 0.00 176.95 177.35 3n1m s VAL 178 N 0.76 0.37 -0.04 5.86 1.01 -0.15 -0.86 120.40 127.35 3n1m s VAL 178 Ca -0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 3n1m s VAL 178 Cb -0.05 -0.39 0.03 0.00 0.00 0.00 0.00 36.38 35.96 3n1m s VAL 178 CO -0.06 0.16 0.02 -0.47 0.00 0.00 0.00 175.10 174.76 3n1m s TYR 179 N 0.60 0.30 -1.20 5.22 5.04 -0.04 -0.32 117.35 126.96 3n1m s TYR 179 Ca -0.07 0.06 -0.19 0.00 -2.44 0.00 0.00 57.07 54.42 3n1m s TYR 179 Cb -0.10 -0.53 0.07 0.00 0.35 0.00 0.00 41.96 41.74 3n1m s TYR 179 CO -0.01 -0.20 1.62 -0.47 -1.34 0.00 0.00 175.55 175.15 3n1m s TYR 180 N 1.71 2.74 0.08 4.97 6.14 -0.12 -0.94 117.35 131.93 3n1m s TYR 180 Ca -0.00 -1.40 -0.06 0.00 0.64 0.00 0.00 57.07 56.24 3n1m s TYR 180 Cb -0.13 -4.71 -0.27 0.00 0.42 0.00 0.00 41.96 37.27 3n1m s TYR 180 CO -0.03 -1.82 1.14 1.49 0.64 0.00 0.00 175.55 176.97 3n1m h GLU 181 N 8.27 0.33 -3.83 4.97 4.81 -1.86 0.17 114.58 127.46 3n1m h GLU 181 Ca 0.36 -0.54 -0.10 0.00 -0.13 0.00 0.00 59.36 58.96 3n1m h GLU 181 Cb 0.92 0.19 -0.15 0.00 0.63 0.00 0.00 28.75 30.34 3n1m h GLU 181 CO 1.43 1.24 -0.43 0.45 -0.73 0.00 0.00 179.01 180.97 3n1m s SER 182 N -7.21 0.16 0.63 1.04 0.15 -1.10 -4.86 113.70 102.50 3n1m s SER 182 Ca -0.05 -0.64 0.39 0.00 0.70 0.00 0.00 55.95 56.35 3n1m s SER 182 Cb 0.07 0.30 2.10 0.00 -1.71 0.00 0.00 66.02 66.78 3n1m s SER 182 CO 0.89 -0.66 2.28 0.11 1.20 0.00 0.00 173.24 177.06 3n1m h LYS 183 N 3.01 0.00 0.00 5.44 1.57 -2.03 -2.95 116.57 121.61 3n1m h LYS 183 Ca -0.34 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.34 3n1m h LYS 183 Cb 1.19 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 3n1m h LYS 183 CO 0.56 0.01 -0.79 0.00 -0.57 0.00 0.00 179.45 178.67 3n1m h ALA 184 N 1.99 0.68 -2.31 3.86 0.00 -1.98 -3.48 119.26 118.01 3n1m h ALA 184 Ca -0.00 -0.50 0.14 0.00 0.00 0.00 0.00 54.91 54.55 3n1m h ALA 184 Cb 0.10 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 17.81 3n1m h ALA 184 CO 0.00 0.61 0.49 -3.38 0.00 0.00 0.00 179.25 176.97 3n1m s HIS 185 N -3.00 -0.25 -0.10 0.00 -3.43 -1.11 -4.85 115.29 102.54 3n1m s HIS 185 Ca 0.02 0.05 -0.02 0.00 -0.80 0.00 0.00 55.06 54.30 3n1m s HIS 185 Cb 0.08 0.58 -0.03 0.00 -1.43 0.00 0.00 32.58 31.78 3n1m s HIS 185 CO 0.76 -0.67 -0.01 0.08 -2.00 0.00 0.00 174.74 172.91 3n1m s VAL 186 N -3.19 4.22 -0.16 -5.38 1.01 -0.53 -2.71 120.40 113.65 3n1m s VAL 186 Ca 0.08 -0.28 -0.06 0.00 0.00 0.00 0.00 61.98 61.72 3n1m s VAL 186 Cb -0.01 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 3n1m s VAL 186 CO -0.04 0.58 0.05 -2.28 0.00 0.00 0.00 175.10 173.41 3n1m s HIS 187 N -0.64 3.26 0.00 5.22 5.04 -0.12 -0.80 115.29 127.25 3n1m s HIS 187 Ca 0.10 0.10 0.04 0.00 -1.54 0.00 0.00 55.06 53.77 3n1m s HIS 187 Cb -0.12 -2.02 -0.01 0.00 0.04 0.00 0.00 32.58 30.47 3n1m s HIS 187 CO 0.02 0.24 -0.12 0.00 -2.34 0.00 0.00 174.74 172.54 3n1m s SER 189 N -0.50 0.11 0.13 0.00 1.04 -0.04 -0.87 113.70 113.57 3n1m s SER 189 Ca 0.04 -1.30 0.04 0.00 0.48 0.00 0.00 55.95 55.20 3n1m s SER 189 Cb -0.05 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 3n1m s SER 189 CO -0.00 -0.90 -0.09 0.68 0.98 0.00 0.00 173.24 173.91 3n1m s VAL 190 N -4.13 1.03 0.70 5.02 -7.23 0.10 -1.41 120.40 114.49 3n1m s VAL 190 Ca 0.36 -2.01 -0.16 0.00 -1.81 0.00 0.00 61.98 58.35 3n1m s VAL 190 Cb 0.05 -1.78 -0.01 0.00 0.56 0.00 0.00 36.38 35.21 3n1m s VAL 190 CO 0.12 -0.77 0.96 0.29 -0.31 0.00 0.00 175.10 175.39 3n1m n LYS 191 N -0.12 0.59 -1.95 4.82 5.02 -1.25 -4.83 118.16 120.44 3n1m n LYS 191 Ca -0.11 0.25 -0.40 0.00 -2.02 0.00 0.00 58.31 56.04 3n1m n LYS 191 Cb 0.61 -2.21 0.00 0.00 -0.02 0.00 0.00 35.03 33.40 3n1m n LYS 191 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3n1m s SER 192 N -1.56 6.23 0.00 4.39 0.15 -1.26 -4.92 113.70 116.73 3n1m s SER 192 Ca 0.74 2.80 0.00 0.00 0.70 0.00 0.00 55.95 60.19 3n1m s SER 192 Cb -0.36 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.30 3n1m s SER 192 CO 0.49 -0.92 0.35 -0.62 1.20 0.00 0.00 173.24 173.75