#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n5a s HIS 3 N 0.00 0.69 0.08 0.54 3.76 0.94 -4.90 115.29 116.40 1n5a s HIS 3 Ca 0.00 -1.00 -0.26 0.00 -0.15 0.00 0.00 55.06 53.65 1n5a s HIS 3 Cb 0.00 0.01 0.08 0.00 1.11 0.00 0.00 32.58 33.78 1n5a s HIS 3 CO 0.00 -1.00 0.82 -1.54 -0.85 0.00 0.00 174.74 172.17 1n5a s SER 4 N -3.11 -0.37 -0.01 1.40 1.04 -1.26 0.10 113.70 111.49 1n5a s SER 4 Ca 0.27 -0.12 -0.03 0.00 0.48 0.00 0.00 55.95 56.55 1n5a s SER 4 Cb 0.00 0.48 -0.00 0.00 0.10 0.00 0.00 66.02 66.60 1n5a s SER 4 CO 0.13 -0.81 0.07 -0.32 0.98 0.00 0.00 173.24 173.29 1n5a s MET 5 N -3.36 0.24 -0.01 4.02 1.75 -0.73 -0.45 119.30 120.77 1n5a s MET 5 Ca 0.06 -0.19 -0.07 0.00 -1.25 0.00 0.00 55.69 54.24 1n5a s MET 5 Cb -0.01 0.10 0.00 0.00 2.84 0.00 0.00 34.83 37.76 1n5a s MET 5 CO -0.07 -0.05 0.14 1.03 -0.65 0.00 0.00 175.02 175.43 1n5a s ARG 6 N -0.68 0.41 -0.17 4.11 1.81 0.54 -2.48 118.95 122.50 1n5a s ARG 6 Ca -0.08 -0.25 0.01 0.00 -1.72 0.00 0.00 55.73 53.69 1n5a s ARG 6 Cb -0.05 0.17 0.02 0.00 -0.45 0.00 0.00 34.95 34.65 1n5a s ARG 6 CO 0.00 -0.09 -0.18 0.71 -0.68 0.00 0.00 175.30 175.06 1n5a s TYR 7 N -1.03 2.58 -0.39 -0.53 1.51 -0.13 0.12 117.35 119.48 1n5a s TYR 7 Ca -0.11 -1.51 -0.11 0.00 -1.01 0.00 0.00 57.07 54.32 1n5a s TYR 7 Cb -0.06 -1.81 0.04 0.00 -0.11 0.00 0.00 41.96 40.01 1n5a s TYR 7 CO 0.01 -0.76 0.23 -0.06 -1.11 0.00 0.00 175.55 173.86 1n5a s PHE 8 N 1.35 3.25 0.10 2.71 0.40 0.94 -1.56 117.98 125.18 1n5a s PHE 8 Ca 0.05 -0.99 0.06 0.00 -0.60 0.00 0.00 56.93 55.45 1n5a s PHE 8 Cb -0.13 -2.55 -0.04 0.00 0.51 0.00 0.00 43.02 40.81 1n5a s PHE 8 CO -0.12 -0.68 -0.06 -1.21 0.70 0.00 0.00 175.22 173.85 1n5a s GLU 9 N 1.56 2.29 -0.08 0.44 2.02 0.37 -0.44 118.70 124.85 1n5a s GLU 9 Ca 0.02 -0.95 -0.07 0.00 0.02 0.00 0.00 54.97 53.99 1n5a s GLU 9 Cb -0.20 -2.40 0.02 0.00 0.10 0.00 0.00 34.13 31.65 1n5a s GLU 9 CO 0.07 0.52 0.21 0.99 0.02 0.00 0.00 175.26 177.07 1n5a s THR 10 N -1.25 -0.00 -0.09 3.63 2.01 0.91 -1.07 115.64 119.78 1n5a s THR 10 Ca 0.23 0.01 -0.01 0.00 0.31 0.00 0.00 61.69 62.23 1n5a s THR 10 Cb -0.11 -0.31 0.03 0.00 0.01 0.00 0.00 72.50 72.12 1n5a s THR 10 CO 0.16 0.00 -0.02 0.00 -0.69 0.00 0.00 174.62 174.07 1n5a s ALA 11 N 0.19 0.88 -0.08 7.40 0.00 0.37 -1.34 121.76 129.17 1n5a s ALA 11 Ca -0.01 -0.26 0.03 0.00 0.00 0.00 0.00 51.96 51.72 1n5a s ALA 11 Cb -0.02 -0.81 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 1n5a s ALA 11 CO -0.00 -0.49 -0.18 0.14 0.00 0.00 0.00 175.76 175.23 1n5a s VAL 12 N 1.90 2.67 -0.04 0.00 -7.23 -0.63 -1.44 120.40 115.63 1n5a s VAL 12 Ca 0.05 -0.83 0.02 0.00 -1.81 0.00 0.00 61.98 59.41 1n5a s VAL 12 Cb -0.13 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.73 1n5a s VAL 12 CO -0.06 0.56 -0.09 -0.94 -0.31 0.00 0.00 175.10 174.26 1n5a s SER 13 N -0.11 4.47 0.05 4.85 1.04 -0.14 -1.27 113.70 122.59 1n5a s SER 13 Ca -0.03 -0.10 0.03 0.00 0.48 0.00 0.00 55.95 56.33 1n5a s SER 13 Cb -0.14 -1.05 -0.02 0.00 0.10 0.00 0.00 66.02 64.90 1n5a s SER 13 CO 0.04 0.34 -0.10 -0.13 0.98 0.00 0.00 173.24 174.37 1n5a s ARG 14 N -0.95 0.64 0.16 4.02 0.52 -1.26 -1.13 118.95 120.95 1n5a s ARG 14 Ca 0.13 -0.79 -0.30 0.00 -0.52 0.00 0.00 55.73 54.26 1n5a s ARG 14 Cb -0.11 -0.51 -0.17 0.00 0.52 0.00 0.00 34.95 34.68 1n5a s ARG 14 CO 0.03 0.11 0.61 -2.30 0.02 0.00 0.00 175.30 173.77 1n5a n PRO 15 N 1.52 0.00 -0.70 3.54 -0.02 -1.09 -1.10 135.00 137.15 1n5a n PRO 15 Ca -0.21 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.26 1n5a n PRO 15 Cb 0.55 -1.08 -0.00 0.00 -0.02 0.00 0.00 33.50 32.94 1n5a n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n5a n GLY 16 N 1.90 0.03 3.25 -1.23 0.00 -1.26 -4.86 105.19 103.03 1n5a n GLY 16 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1n5a n GLY 16 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1n5a s LEU 17 N -0.09 6.23 0.05 0.99 2.96 -0.26 -4.97 118.68 123.58 1n5a s LEU 17 Ca 0.00 -2.94 -0.03 0.00 -0.22 0.00 0.00 54.13 50.94 1n5a s LEU 17 Cb 0.00 -2.09 0.05 0.00 0.50 0.00 0.00 46.19 44.65 1n5a s LEU 17 CO 0.00 -0.45 0.31 -0.62 -1.32 0.00 0.00 176.35 174.27 1n5a n GLU 18 N 3.55 -0.05 -4.14 1.98 4.71 -1.26 -4.44 120.64 120.99 1n5a n GLU 18 Ca 0.14 0.31 -0.23 0.00 -0.01 0.00 0.00 57.16 57.38 1n5a n GLU 18 Cb 0.43 -0.46 -0.06 0.00 -1.01 0.00 0.00 31.44 30.34 1n5a n GLU 18 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1n5a s GLU 19 N -5.19 2.49 0.50 3.49 0.41 -1.26 -5.05 118.70 114.08 1n5a s GLU 19 Ca -0.03 -1.39 -0.12 0.00 -0.41 0.00 0.00 54.97 53.03 1n5a s GLU 19 Cb 0.04 -2.27 -0.06 0.00 -1.78 0.00 0.00 34.13 30.06 1n5a s GLU 19 CO 0.14 0.24 0.90 -1.25 -0.49 0.00 0.00 175.26 174.81 1n5a s PRO 20 N -3.81 3.76 -0.07 0.39 0.04 -1.26 -4.68 135.00 129.38 1n5a s PRO 20 Ca 0.35 0.65 -0.05 0.00 0.04 0.00 0.00 61.00 61.99 1n5a s PRO 20 Cb -0.05 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 1n5a s PRO 20 CO 0.23 -0.25 0.16 0.50 0.04 0.00 0.00 177.00 177.68 1n5a s ARG 21 N -4.33 3.45 -0.14 4.56 3.52 -0.39 -4.90 118.95 120.72 1n5a s ARG 21 Ca 0.54 -0.21 0.02 0.00 -0.13 0.00 0.00 55.73 55.95 1n5a s ARG 21 Cb -0.10 -3.15 0.02 0.00 -1.56 0.00 0.00 34.95 30.16 1n5a s ARG 21 CO 0.38 0.73 -0.18 -0.47 -0.81 0.00 0.00 175.30 174.95 1n5a s TYR 22 N -1.17 2.40 -0.00 5.12 5.04 -1.26 -1.60 117.35 125.88 1n5a s TYR 22 Ca 0.21 -1.26 0.07 0.00 -2.44 0.00 0.00 57.07 53.65 1n5a s TYR 22 Cb -0.12 -1.68 -0.02 0.00 0.35 0.00 0.00 41.96 40.49 1n5a s TYR 22 CO 0.11 -0.62 -0.21 0.42 -1.34 0.00 0.00 175.55 173.91 1n5a s ILE 23 N 1.06 1.70 -0.04 3.14 1.09 -0.45 -0.64 121.20 127.06 1n5a s ILE 23 Ca -0.03 -0.98 0.02 0.00 -1.10 0.00 0.00 60.65 58.56 1n5a s ILE 23 Cb -0.14 -1.43 0.01 0.00 -1.06 0.00 0.00 42.46 39.84 1n5a s ILE 23 CO -0.05 0.42 -0.10 -0.55 -0.10 0.00 0.00 174.94 174.56 1n5a s SER 24 N -0.66 1.43 -0.04 3.58 0.15 0.18 -0.06 113.70 118.28 1n5a s SER 24 Ca 0.08 -0.23 0.03 0.00 0.70 0.00 0.00 55.95 56.54 1n5a s SER 24 Cb -0.08 -0.53 0.00 0.00 -1.71 0.00 0.00 66.02 63.70 1n5a s SER 24 CO -0.00 0.04 -0.13 -0.69 1.20 0.00 0.00 173.24 173.66 1n5a s VAL 25 N 0.45 1.11 0.03 4.45 1.01 0.41 -0.91 120.40 126.95 1n5a s VAL 25 Ca -0.08 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.40 1n5a s VAL 25 Cb -0.12 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1n5a s VAL 25 CO 0.02 0.33 -0.04 -0.83 0.00 0.00 0.00 175.10 174.58 1n5a s GLY 26 N 0.20 1.81 0.04 4.51 0.00 -0.82 -0.04 107.32 113.02 1n5a s GLY 26 Ca -0.05 -1.04 0.03 0.00 0.00 0.00 0.00 44.72 43.66 1n5a s GLY 26 CO 0.02 -0.93 -0.09 -0.19 0.00 0.00 0.00 173.10 171.90 1n5a s TYR 27 N -1.09 0.77 -0.17 1.90 1.51 0.33 -1.18 117.35 119.43 1n5a s TYR 27 Ca 0.19 -0.45 0.01 0.00 -1.01 0.00 0.00 57.07 55.81 1n5a s TYR 27 Cb -0.11 -0.46 0.02 0.00 -0.11 0.00 0.00 41.96 41.30 1n5a s TYR 27 CO 0.10 -0.05 -0.19 0.08 -1.11 0.00 0.00 175.55 174.38 1n5a s VAL 28 N -1.23 1.98 -1.49 0.71 1.01 -1.02 -0.34 120.40 120.02 1n5a s VAL 28 Ca -0.07 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 60.89 1n5a s VAL 28 Cb -0.09 -1.79 0.07 0.00 0.00 0.00 0.00 36.38 34.56 1n5a s VAL 28 CO 0.01 0.53 1.01 0.47 0.00 0.00 0.00 175.10 177.12 1n5a n ASP 29 N 4.60 -4.94 -0.51 3.32 8.00 0.41 -2.63 116.55 124.80 1n5a n ASP 29 Ca -0.20 -0.74 -0.07 0.00 0.71 0.00 0.00 54.79 54.50 1n5a n ASP 29 Cb 0.50 -4.11 -0.03 0.00 -0.02 0.00 0.00 41.12 37.46 1n5a n ASP 29 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1n5a n ASN 30 N -2.88 -4.34 -4.24 -2.24 3.02 -1.26 -5.01 115.26 98.31 1n5a n ASN 30 Ca 0.02 0.16 -0.32 0.00 -0.03 0.00 0.00 54.58 54.41 1n5a n ASN 30 Cb 0.54 -2.43 -0.16 0.00 -0.61 0.00 0.00 39.78 37.12 1n5a n ASN 30 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1n5a s LYS 31 N -2.19 3.11 0.23 3.52 1.02 -1.08 -5.05 119.74 119.30 1n5a s LYS 31 Ca 0.00 -0.83 -0.31 0.00 0.02 0.00 0.00 55.97 54.85 1n5a s LYS 31 Cb 0.00 -2.42 -0.14 0.00 -0.52 0.00 0.00 37.83 34.76 1n5a s LYS 31 CO 0.00 0.12 1.34 -1.91 -0.92 0.00 0.00 175.35 173.98 1n5a n GLU 32 N 3.70 1.83 0.00 1.68 2.13 -1.26 -2.43 120.64 126.29 1n5a n GLU 32 Ca -0.19 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.28 1n5a n GLU 32 Cb 0.52 -2.26 0.00 0.00 0.27 0.00 0.00 31.44 29.97 1n5a n GLU 32 CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69 1n5a n PHE 33 N 1.68 0.00 -4.04 4.31 -1.74 -0.32 -4.47 117.46 112.87 1n5a n PHE 33 Ca 0.12 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.91 1n5a n PHE 33 Cb 0.30 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.23 1n5a n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1n5a s VAL 34 N -0.82 0.02 -0.28 1.97 -7.23 -1.21 -1.31 120.40 111.53 1n5a s VAL 34 Ca 0.00 -1.56 -0.23 0.00 -1.81 0.00 0.00 61.98 58.38 1n5a s VAL 34 Cb 0.00 -2.17 0.13 0.00 0.56 0.00 0.00 36.38 34.90 1n5a s VAL 34 CO 0.00 -0.10 1.04 -0.60 -0.31 0.00 0.00 175.10 175.13 1n5a s ARG 35 N -4.04 0.45 -0.01 4.82 3.52 -0.89 -1.94 118.95 120.85 1n5a s ARG 35 Ca 0.25 0.59 0.05 0.00 -0.13 0.00 0.00 55.73 56.49 1n5a s ARG 35 Cb 0.03 0.19 -0.01 0.00 -1.56 0.00 0.00 34.95 33.59 1n5a s ARG 35 CO 0.07 -0.06 -0.16 0.12 -0.81 0.00 0.00 175.30 174.46 1n5a s PHE 36 N 0.52 1.41 -0.22 5.12 2.19 -0.08 -0.54 117.98 126.37 1n5a s PHE 36 Ca 0.00 -0.27 -0.04 0.00 0.33 0.00 0.00 56.93 56.96 1n5a s PHE 36 Cb -0.05 -0.91 0.09 0.00 -1.31 0.00 0.00 43.02 40.85 1n5a s PHE 36 CO -0.09 -0.02 0.17 0.34 1.83 0.00 0.00 175.22 177.45 1n5a s ASP 37 N -0.38 2.19 0.43 6.13 -1.08 -1.26 -0.65 116.67 122.05 1n5a s ASP 37 Ca 0.06 -0.65 0.17 0.00 -0.52 0.00 0.00 52.55 51.62 1n5a s ASP 37 Cb -0.06 0.05 0.94 0.00 -1.46 0.00 0.00 42.92 42.39 1n5a s ASP 37 CO -0.01 -0.37 1.46 0.77 0.52 0.00 0.00 175.17 177.54 1n5a h SER 38 N 8.36 0.00 1.73 -0.34 4.64 -1.27 -1.29 113.55 125.37 1n5a h SER 38 Ca -0.17 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.10 1n5a h SER 38 Cb 1.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 1n5a h SER 38 CO 0.33 0.00 -0.24 0.44 -0.87 0.00 0.00 176.83 176.49 1n5a h ASP 39 N 0.00 0.00 -3.21 4.97 5.19 -1.95 -3.46 116.42 117.96 1n5a h ASP 39 Ca 0.00 0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 55.93 1n5a h ASP 39 Cb 0.66 0.00 0.22 0.00 0.18 0.00 0.00 39.33 40.38 1n5a h ASP 39 CO 0.00 0.24 -0.41 0.00 -3.12 0.00 0.00 179.24 175.94 1n5a n ALA 40 N -2.16 -2.80 -0.11 3.45 0.00 -0.49 -4.91 120.51 113.49 1n5a n ALA 40 Ca 0.03 -0.95 -0.13 0.00 0.00 0.00 0.00 53.44 52.39 1n5a n ALA 40 Cb 0.62 -1.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.19 1n5a n ALA 40 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1n5a h GLU 41 N -2.09 0.77 -2.76 0.00 4.81 -1.89 -3.34 114.58 110.08 1n5a h GLU 41 Ca -0.51 -0.37 -0.61 0.00 -0.13 0.00 0.00 59.36 57.73 1n5a h GLU 41 Cb 1.32 -0.00 -0.41 0.00 0.63 0.00 0.00 28.75 30.28 1n5a h GLU 41 CO 0.41 1.00 -0.66 -1.71 -0.73 0.00 0.00 179.01 177.31 1n5a n ASN 42 N -4.25 2.51 -4.69 1.04 5.15 -1.26 -5.08 115.26 108.68 1n5a n ASN 42 Ca -0.03 -3.11 -0.56 0.00 -0.60 0.00 0.00 54.58 50.29 1n5a n ASN 42 Cb 0.45 -0.71 -0.07 0.00 -0.53 0.00 0.00 39.78 38.93 1n5a n ASN 42 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1n5a n PRO 43 N 1.86 1.31 -3.54 1.20 -0.02 -1.26 -4.92 135.00 129.64 1n5a n PRO 43 Ca 0.23 0.48 -0.16 0.00 -2.02 0.00 0.00 63.50 62.04 1n5a n PRO 43 Cb 0.39 -2.21 -0.06 0.00 -0.02 0.00 0.00 33.50 31.61 1n5a n PRO 43 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1n5a s ARG 44 N 3.80 0.92 0.19 -0.52 0.52 -1.26 -5.02 118.95 117.57 1n5a s ARG 44 Ca 0.98 0.21 -0.30 0.00 -0.52 0.00 0.00 55.73 56.10 1n5a s ARG 44 Cb -1.00 0.43 -0.08 0.00 0.52 0.00 0.00 34.95 34.82 1n5a s ARG 44 CO 0.63 -0.29 1.24 0.71 0.02 0.00 0.00 175.30 177.62 1n5a s TYR 45 N -1.21 3.35 0.12 -0.53 2.02 -1.26 -4.45 117.35 115.39 1n5a s TYR 45 Ca -0.08 1.34 0.08 0.00 -0.37 0.00 0.00 57.07 58.04 1n5a s TYR 45 Cb -0.00 -3.50 -0.04 0.00 -0.40 0.00 0.00 41.96 38.02 1n5a s TYR 45 CO 0.07 -1.49 -0.19 -1.21 -1.57 0.00 0.00 175.55 171.16 1n5a s GLU 46 N -0.16 1.13 0.55 -0.62 0.41 0.30 -4.91 118.70 115.39 1n5a s GLU 46 Ca 0.54 -1.22 -0.20 0.00 -0.41 0.00 0.00 54.97 53.69 1n5a s GLU 46 Cb -0.34 -1.28 -0.05 0.00 -1.78 0.00 0.00 34.13 30.68 1n5a s GLU 46 CO 0.37 0.28 1.19 -2.14 -0.49 0.00 0.00 175.26 174.47 1n5a s PRO 47 N -2.20 3.27 0.00 0.39 0.02 -1.26 -2.10 135.00 133.12 1n5a s PRO 47 Ca 0.08 1.78 0.00 0.00 0.02 0.00 0.00 61.00 62.88 1n5a s PRO 47 Cb -0.08 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 32.36 1n5a s PRO 47 CO 0.05 -0.95 0.06 0.54 -0.33 0.00 0.00 177.00 176.36 1n5a n ARG 48 N -1.22 -0.12 -3.88 5.54 5.12 -0.43 -4.88 116.66 116.80 1n5a n ARG 48 Ca 0.11 -0.06 -0.11 0.00 -1.93 0.00 0.00 57.85 55.86 1n5a n ARG 48 Cb 0.49 -0.56 -0.13 0.00 -1.16 0.00 0.00 32.46 31.11 1n5a n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1n5a s ALA 49 N -0.00 -0.09 0.18 7.54 0.00 -1.25 -4.69 121.76 123.45 1n5a s ALA 49 Ca 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 51.96 51.80 1n5a s ALA 49 Cb 0.00 -0.02 0.09 0.00 0.00 0.00 0.00 23.12 23.19 1n5a s ALA 49 CO 0.00 -0.07 1.79 -1.00 0.00 0.00 0.00 175.76 176.48 1n5a h PRO 50 N 5.60 0.84 0.00 0.00 0.13 -1.95 -2.19 132.00 134.44 1n5a h PRO 50 Ca -0.27 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1n5a h PRO 50 Cb 1.21 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1n5a h PRO 50 CO 0.46 0.64 0.15 0.11 -0.23 0.00 0.00 178.00 179.12 1n5a h TRP 51 N 0.82 0.00 0.00 1.56 5.08 -1.97 -0.70 115.95 120.74 1n5a h TRP 51 Ca 0.21 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.18 1n5a h TRP 51 Cb 0.04 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.20 1n5a h TRP 51 CO -0.01 0.00 0.00 0.52 -1.28 0.00 0.00 178.44 177.67 1n5a h MET 52 N 0.00 0.00 0.00 0.12 2.86 -1.74 -3.22 114.93 112.95 1n5a h MET 52 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1n5a h MET 52 Cb 0.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1n5a h MET 52 CO 0.00 0.00 0.00 0.39 1.06 0.00 0.00 176.91 178.36 1n5a n GLU 53 N -2.32 0.07 -0.11 1.72 1.02 -0.27 -1.89 120.64 118.87 1n5a n GLU 53 Ca 0.05 0.20 -0.11 0.00 -0.02 0.00 0.00 57.16 57.28 1n5a n GLU 53 Cb 0.39 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.28 1n5a n GLU 53 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1n5a h GLN 54 N 0.00 0.54 -6.48 3.49 4.20 -1.78 -3.43 115.11 111.64 1n5a h GLN 54 Ca 0.00 -0.16 -0.61 0.00 0.06 0.00 0.00 58.65 57.94 1n5a h GLN 54 Cb 0.03 -0.06 0.08 0.00 0.30 0.00 0.00 27.48 27.83 1n5a h GLN 54 CO 0.00 0.65 0.51 0.39 -0.67 0.00 0.00 178.83 179.71 1n5a n GLU 55 N -4.59 1.70 -2.17 1.46 -0.58 -0.79 -4.95 120.64 110.73 1n5a n GLU 55 Ca -0.02 0.61 -0.28 0.00 -0.42 0.00 0.00 57.16 57.05 1n5a n GLU 55 Cb 0.24 -2.22 0.17 0.00 -0.57 0.00 0.00 31.44 29.06 1n5a n GLU 55 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1n5a s GLY 56 N 0.26 1.79 0.18 0.62 0.00 -1.26 -4.92 107.32 103.99 1n5a s GLY 56 Ca 0.72 -1.47 -0.16 0.00 0.00 0.00 0.00 44.72 43.81 1n5a s GLY 56 CO 0.49 -0.73 1.64 -2.55 0.00 0.00 0.00 173.10 171.96 1n5a h PRO 57 N -1.33 -0.03 -0.56 2.90 0.11 -1.98 -1.98 132.00 129.13 1n5a h PRO 57 Ca -0.41 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.80 1n5a h PRO 57 Cb 1.24 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 1n5a h PRO 57 CO 0.35 -0.02 0.38 1.49 -0.21 0.00 0.00 178.00 180.00 1n5a h GLU 58 N -0.03 0.34 0.17 1.05 4.81 -1.99 -1.21 114.58 117.72 1n5a h GLU 58 Ca 0.23 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1n5a h GLU 58 Cb 0.39 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1n5a h GLU 58 CO -0.52 0.23 -0.15 -0.92 -0.73 0.00 0.00 179.01 176.92 1n5a h TYR 59 N 0.35 -0.38 -0.83 0.92 3.20 -1.72 -1.66 116.97 116.84 1n5a h TYR 59 Ca 0.26 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.11 1n5a h TYR 59 Cb 0.56 0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.94 1n5a h TYR 59 CO -0.00 -0.23 0.44 -1.49 -1.64 0.00 0.00 178.16 175.25 1n5a h TRP 60 N -0.34 1.16 -0.28 -3.82 4.06 -1.30 -1.47 115.95 113.95 1n5a h TRP 60 Ca -0.00 -0.03 -0.00 0.00 2.06 0.00 0.00 58.89 60.91 1n5a h TRP 60 Cb 0.31 -0.37 -0.01 0.00 -1.00 0.00 0.00 29.16 28.09 1n5a h TRP 60 CO -0.12 0.81 0.17 1.49 -3.56 0.00 0.00 178.44 177.23 1n5a h GLU 61 N 1.17 0.39 0.40 0.49 4.57 -1.21 0.31 114.58 120.70 1n5a h GLU 61 Ca 0.29 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.42 1n5a h GLU 61 Cb 0.05 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1n5a h GLU 61 CO -0.04 0.30 -0.19 0.00 -1.18 0.00 0.00 179.01 177.89 1n5a h ARG 62 N 0.36 -0.52 -0.98 1.92 2.47 -0.96 -1.55 114.38 115.12 1n5a h ARG 62 Ca 0.10 0.04 0.17 0.00 -1.26 0.00 0.00 59.98 59.03 1n5a h ARG 62 Cb 0.01 0.12 -0.09 0.00 -1.65 0.00 0.00 29.97 28.36 1n5a h ARG 62 CO -0.02 -0.22 0.61 0.93 0.56 0.00 0.00 179.97 181.84 1n5a h GLU 63 N -0.82 0.74 -0.67 0.04 4.39 -1.26 0.17 114.58 117.18 1n5a h GLU 63 Ca -0.05 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.63 1n5a h GLU 63 Cb 0.54 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.98 1n5a h GLU 63 CO 0.09 0.49 0.42 1.15 -1.16 0.00 0.00 179.01 180.00 1n5a h THR 64 N 0.76 1.09 -0.05 1.13 2.02 -0.50 0.11 112.91 117.47 1n5a h THR 64 Ca 0.53 -0.28 -0.12 0.00 0.77 0.00 0.00 66.41 67.31 1n5a h THR 64 Cb 0.83 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1n5a h THR 64 CO -0.31 0.15 -0.51 1.56 0.37 0.00 0.00 175.52 176.78 1n5a h GLN 65 N 0.82 0.14 -0.07 6.66 1.08 0.29 -1.25 115.11 122.77 1n5a h GLN 65 Ca 0.27 -0.08 -0.00 0.00 -1.45 0.00 0.00 58.65 57.39 1n5a h GLN 65 Cb 0.02 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.45 1n5a h GLN 65 CO -0.10 0.62 0.03 -0.22 -0.95 0.00 0.00 178.83 178.20 1n5a h LYS 66 N 0.11 0.11 -0.57 1.46 3.64 -0.47 -0.95 116.57 119.89 1n5a h LYS 66 Ca 0.00 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.45 1n5a h LYS 66 Cb 0.94 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.67 1n5a h LYS 66 CO 0.07 0.21 0.21 0.00 -2.27 0.00 0.00 179.45 177.67 1n5a h ALA 67 N 0.89 0.73 0.00 5.00 0.00 -0.42 0.33 119.26 125.79 1n5a h ALA 67 Ca 0.02 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1n5a h ALA 67 Cb 0.14 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1n5a h ALA 67 CO -0.00 -0.19 -0.19 0.87 0.00 0.00 0.00 179.25 179.74 1n5a h LYS 68 N 0.40 0.00 -0.15 0.00 1.57 -0.93 0.18 116.57 117.64 1n5a h LYS 68 Ca 0.28 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.96 1n5a h LYS 68 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1n5a h LYS 68 CO -0.28 0.19 -0.33 0.78 -0.57 0.00 0.00 179.45 179.24 1n5a h GLY 69 N 0.73 0.53 0.70 3.86 0.00 0.65 -2.96 103.07 106.59 1n5a h GLY 69 Ca -0.00 -0.65 0.05 0.00 0.00 0.00 0.00 47.33 46.73 1n5a h GLY 69 CO 0.02 0.58 0.21 1.46 0.00 0.00 0.00 176.54 178.81 1n5a h GLN 70 N 0.11 0.40 -0.59 4.80 1.08 0.14 -0.56 115.11 120.49 1n5a h GLN 70 Ca 0.00 -0.02 0.12 0.00 -1.45 0.00 0.00 58.65 57.30 1n5a h GLN 70 Cb 0.93 -0.09 -0.10 0.00 -0.05 0.00 0.00 27.48 28.17 1n5a h GLN 70 CO 0.07 0.27 -0.03 1.49 -0.95 0.00 0.00 178.83 179.68 1n5a h GLU 71 N 0.41 0.09 -0.62 1.46 4.81 -0.71 0.50 114.58 120.53 1n5a h GLU 71 Ca 0.20 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.36 1n5a h GLU 71 Cb 0.14 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1n5a h GLU 71 CO -0.17 0.06 0.12 1.96 -0.73 0.00 0.00 179.01 180.25 1n5a h GLN 72 N 0.09 1.01 -0.88 1.92 1.08 -1.24 -2.49 115.11 114.59 1n5a h GLN 72 Ca 0.30 -0.26 0.06 0.00 -1.45 0.00 0.00 58.65 57.30 1n5a h GLN 72 Cb 0.48 -0.12 -0.06 0.00 -0.05 0.00 0.00 27.48 27.72 1n5a h GLN 72 CO -0.53 0.93 0.55 2.35 -0.95 0.00 0.00 178.83 181.19 1n5a h TRP 73 N 0.92 1.02 -0.28 2.96 7.01 0.14 -2.00 115.95 125.72 1n5a h TRP 73 Ca 0.19 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.18 1n5a h TRP 73 Cb 0.40 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 27.12 1n5a h TRP 73 CO 0.03 0.52 0.03 0.74 -2.79 0.00 0.00 178.44 176.98 1n5a h PHE 74 N 1.01 0.51 0.00 2.65 -1.00 -0.19 -1.34 116.94 118.57 1n5a h PHE 74 Ca 0.38 -0.08 -0.06 0.00 2.81 0.00 0.00 57.97 61.03 1n5a h PHE 74 Cb 0.16 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.58 1n5a h PHE 74 CO -0.03 0.59 -0.29 -0.09 -1.61 0.00 0.00 178.31 176.89 1n5a h ARG 75 N 0.29 0.00 -0.17 1.51 9.65 -1.34 0.26 114.38 124.58 1n5a h ARG 75 Ca 0.08 0.00 -0.17 0.00 -1.10 0.00 0.00 59.98 58.79 1n5a h ARG 75 Cb 0.36 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.94 1n5a h ARG 75 CO 0.01 0.29 -0.61 0.28 2.80 0.00 0.00 179.97 182.74 1n5a h VAL 76 N 0.00 1.33 -0.20 0.20 2.07 -0.87 -1.94 116.25 116.85 1n5a h VAL 76 Ca -0.00 -1.88 -0.20 0.00 0.82 0.00 0.00 66.70 65.44 1n5a h VAL 76 Cb 0.89 1.85 0.01 0.00 -1.52 0.00 0.00 31.29 32.52 1n5a h VAL 76 CO 0.04 0.58 -0.64 0.77 0.02 0.00 0.00 177.57 178.34 1n5a h SER 77 N 0.42 0.90 -0.86 0.57 4.64 -0.72 -1.73 113.55 116.77 1n5a h SER 77 Ca -0.00 -0.59 0.15 0.00 -0.47 0.00 0.00 61.79 60.87 1n5a h SER 77 Cb 1.17 -0.26 -0.07 0.00 -0.31 0.00 0.00 62.40 62.93 1n5a h SER 77 CO 0.11 1.34 0.56 0.25 -0.87 0.00 0.00 176.83 178.23 1n5a h LEU 78 N 0.52 0.60 -0.13 5.97 5.85 -0.41 1.08 115.31 128.78 1n5a h LEU 78 Ca -0.03 0.04 -0.14 0.00 0.84 0.00 0.00 57.88 58.59 1n5a h LEU 78 Cb 1.27 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1n5a h LEU 78 CO 0.14 0.30 -0.46 -0.09 -0.34 0.00 0.00 178.44 177.99 1n5a h ARG 79 N 0.63 0.54 -0.72 1.25 2.43 -1.16 -2.52 114.38 114.84 1n5a h ARG 79 Ca 0.43 -0.41 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 1n5a h ARG 79 Cb 0.75 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.35 1n5a h ARG 79 CO -0.19 1.03 0.24 -0.91 -1.51 0.00 0.00 179.97 178.63 1n5a h ASN 80 N 0.16 1.03 -0.24 -3.80 2.35 0.11 -2.41 115.58 112.78 1n5a h ASN 80 Ca -0.02 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.51 1n5a h ASN 80 Cb 1.08 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 39.17 1n5a h ASN 80 CO 0.10 0.96 0.09 -0.07 -1.65 0.00 0.00 177.43 176.86 1n5a h LEU 81 N 1.05 0.40 -1.42 1.61 3.38 0.12 -1.11 115.31 119.35 1n5a h LEU 81 Ca 0.23 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1n5a h LEU 81 Cb 0.29 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1n5a h LEU 81 CO -0.01 0.39 0.24 0.25 0.09 0.00 0.00 178.44 179.41 1n5a h LEU 82 N 0.44 0.57 0.20 1.67 5.85 -0.98 -1.40 115.31 121.66 1n5a h LEU 82 Ca 0.11 -0.04 -0.29 0.00 0.84 0.00 0.00 57.88 58.49 1n5a h LEU 82 Cb 0.15 -0.14 0.03 0.00 0.37 0.00 0.00 40.66 41.06 1n5a h LEU 82 CO -0.01 0.47 -1.33 1.23 -0.34 0.00 0.00 178.44 178.47 1n5a h GLY 83 N 0.73 0.50 0.57 3.75 0.00 -1.16 0.54 103.07 107.99 1n5a h GLY 83 Ca 0.17 -1.27 0.09 0.00 0.00 0.00 0.00 47.33 46.32 1n5a h GLY 83 CO -0.03 1.11 0.58 -0.97 0.00 0.00 0.00 176.54 177.23 1n5a h TYR 84 N -0.04 1.06 -0.02 5.60 0.05 -0.87 -1.73 116.97 121.02 1n5a h TYR 84 Ca -0.24 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.57 1n5a h TYR 84 Cb 1.98 -0.34 0.00 0.00 1.01 0.00 0.00 36.73 39.39 1n5a h TYR 84 CO 0.15 0.46 -0.23 0.66 -1.05 0.00 0.00 178.16 178.15 1n5a n TYR 85 N -4.63 0.00 -3.39 4.88 4.01 -0.57 -4.84 117.16 112.62 1n5a n TYR 85 Ca 0.16 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.71 1n5a n TYR 85 Cb 0.28 -0.04 0.07 0.00 -0.31 0.00 0.00 39.34 39.33 1n5a n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1n5a n ASN 86 N 0.05 -5.38 -4.69 7.72 5.15 -0.65 -4.94 115.26 112.52 1n5a n ASN 86 Ca 0.13 -0.45 -0.39 0.00 -0.60 0.00 0.00 54.58 53.27 1n5a n ASN 86 Cb 0.43 -4.23 -0.06 0.00 -0.53 0.00 0.00 39.78 35.39 1n5a n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1n5a s GLN 87 N -6.02 4.26 0.12 1.20 -0.21 0.10 -5.04 119.66 114.09 1n5a s GLN 87 Ca 0.45 0.49 -0.02 0.00 0.02 0.00 0.00 55.36 56.30 1n5a s GLN 87 Cb -0.20 -3.51 0.03 0.00 1.00 0.00 0.00 33.01 30.32 1n5a s GLN 87 CO 0.60 -0.05 0.15 0.43 -2.12 0.00 0.00 175.29 174.30 1n5a n SER 88 N 4.39 -0.31 -4.92 5.90 7.64 -1.26 -4.76 113.62 120.30 1n5a n SER 88 Ca -0.05 -0.92 -0.27 0.00 1.01 0.00 0.00 58.87 58.65 1n5a n SER 88 Cb 0.51 -0.12 0.02 0.00 -1.01 0.00 0.00 64.21 63.61 1n5a n SER 88 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n5a s ALA 89 N -3.72 3.39 0.00 -0.43 0.00 -1.26 -4.53 121.76 115.21 1n5a s ALA 89 Ca 0.09 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.39 1n5a s ALA 89 Cb -0.00 -2.55 0.00 0.00 0.00 0.00 0.00 23.12 20.56 1n5a s ALA 89 CO 0.06 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 175.65 1n5a n GLY 90 N -2.41 1.80 1.45 0.00 0.00 -1.26 -5.11 105.19 99.66 1n5a n GLY 90 Ca 0.03 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 1n5a n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n5a n GLY 91 N -1.12 3.84 3.50 -0.02 0.00 -1.26 -4.84 105.19 105.30 1n5a n GLY 91 Ca 0.00 -2.14 -0.32 0.00 0.00 0.00 0.00 46.02 43.56 1n5a n GLY 91 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n5a s SER 92 N -2.10 4.10 0.01 1.61 0.01 -1.26 -2.65 113.70 113.43 1n5a s SER 92 Ca 0.04 -0.25 -0.05 0.00 1.31 0.00 0.00 55.95 57.01 1n5a s SER 92 Cb 0.00 -0.83 -0.01 0.00 0.21 0.00 0.00 66.02 65.39 1n5a s SER 92 CO 0.03 0.31 0.07 -1.00 0.41 0.00 0.00 173.24 173.06 1n5a s HIS 93 N -0.85 0.14 -0.02 2.43 0.09 -0.28 -4.97 115.29 111.83 1n5a s HIS 93 Ca 0.14 -0.33 0.05 0.00 -0.00 0.00 0.00 55.06 54.92 1n5a s HIS 93 Cb -0.11 -0.11 -0.01 0.00 -0.00 0.00 0.00 32.58 32.35 1n5a s HIS 93 CO 0.04 -0.27 -0.17 0.99 -0.00 0.00 0.00 174.74 175.33 1n5a s THR 94 N -1.61 1.34 -0.08 1.30 2.01 -1.26 -0.96 115.64 116.38 1n5a s THR 94 Ca -0.14 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.16 1n5a s THR 94 Cb -0.07 -1.13 0.02 0.00 0.01 0.00 0.00 72.50 71.33 1n5a s THR 94 CO -0.00 0.38 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.01 1n5a s LEU 95 N -0.26 1.31 0.10 4.42 2.96 -0.52 -0.72 118.68 125.96 1n5a s LEU 95 Ca 0.03 -0.25 0.07 0.00 -0.22 0.00 0.00 54.13 53.77 1n5a s LEU 95 Cb -0.08 -0.73 -0.03 0.00 0.50 0.00 0.00 46.19 45.85 1n5a s LEU 95 CO 0.00 -0.06 -0.18 -1.10 -1.32 0.00 0.00 176.35 173.69 1n5a s GLN 96 N 1.25 1.03 0.00 1.98 -0.21 0.11 -0.48 119.66 123.33 1n5a s GLN 96 Ca -0.04 -1.11 0.01 0.00 0.02 0.00 0.00 55.36 54.23 1n5a s GLN 96 Cb -0.14 -1.17 -0.00 0.00 1.00 0.00 0.00 33.01 32.69 1n5a s GLN 96 CO -0.03 0.27 -0.04 -1.14 -2.12 0.00 0.00 175.29 172.23 1n5a s GLN 97 N -1.95 0.28 -0.07 2.91 0.74 -0.23 -0.40 119.66 120.94 1n5a s GLN 97 Ca 0.04 -0.18 0.02 0.00 0.05 0.00 0.00 55.36 55.29 1n5a s GLN 97 Cb -0.09 -0.24 0.01 0.00 1.10 0.00 0.00 33.01 33.79 1n5a s GLN 97 CO 0.04 0.06 -0.13 -1.64 -0.55 0.00 0.00 175.29 173.07 1n5a s MET 98 N -0.25 1.80 -0.02 1.67 -1.94 -0.65 -0.48 119.30 119.43 1n5a s MET 98 Ca -0.00 -0.45 -0.13 0.00 -1.71 0.00 0.00 55.69 53.40 1n5a s MET 98 Cb -0.02 -1.48 0.02 0.00 2.01 0.00 0.00 34.83 35.36 1n5a s MET 98 CO -0.00 0.03 0.27 -1.54 -0.01 0.00 0.00 175.02 173.77 1n5a s SER 99 N 0.66 -0.15 0.00 3.03 1.04 -0.60 -1.50 113.70 116.18 1n5a s SER 99 Ca -0.15 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1n5a s SER 99 Cb -0.16 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.27 1n5a s SER 99 CO 0.04 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.47 1n5a n GLY 100 N 1.45 -1.11 3.04 7.32 0.00 -0.07 -0.96 105.19 114.87 1n5a n GLY 100 Ca -0.21 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 44.50 1n5a n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n5a s ASP 102 N -1.34 4.39 -0.04 0.00 1.01 0.06 -1.77 116.67 118.98 1n5a s ASP 102 Ca -0.08 -0.12 0.05 0.00 0.71 0.00 0.00 52.55 53.11 1n5a s ASP 102 Cb -0.09 -1.17 -0.02 0.00 1.01 0.00 0.00 42.92 42.65 1n5a s ASP 102 CO 0.00 0.32 -0.18 -0.76 0.21 0.00 0.00 175.17 174.77 1n5a s LEU 103 N -0.56 2.54 0.00 1.23 1.43 0.29 0.75 118.68 124.36 1n5a s LEU 103 Ca 0.08 -0.28 -0.20 0.00 -1.03 0.00 0.00 54.13 52.70 1n5a s LEU 103 Cb -0.12 -1.49 0.30 0.00 0.03 0.00 0.00 46.19 44.91 1n5a s LEU 103 CO 0.02 0.34 1.06 0.61 0.23 0.00 0.00 176.35 178.60 1n5a n GLY 104 N 2.36 -2.77 0.13 -3.19 0.00 -0.50 -0.04 105.19 101.17 1n5a n GLY 104 Ca -0.17 -1.49 0.12 0.00 0.00 0.00 0.00 46.02 44.48 1n5a n GLY 104 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n5a n SER 105 N -4.82 0.64 -1.13 1.61 3.41 -1.26 -1.02 113.62 111.04 1n5a n SER 105 Ca 0.15 0.66 0.03 0.00 -0.26 0.00 0.00 58.87 59.45 1n5a n SER 105 Cb 0.57 -0.79 0.19 0.00 -0.26 0.00 0.00 64.21 63.92 1n5a n SER 105 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1n5a n ASP 106 N -2.21 3.17 0.00 4.04 5.75 -1.26 -4.40 116.55 121.64 1n5a n ASP 106 Ca 0.02 -2.42 0.00 0.00 -0.01 0.00 0.00 54.79 52.39 1n5a n ASP 106 Cb 0.22 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 39.74 1n5a n ASP 106 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1n5a n TRP 107 N 0.31 0.00 -3.11 2.11 7.02 -0.19 -4.96 117.44 118.62 1n5a n TRP 107 Ca 0.13 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.30 1n5a n TRP 107 Cb 0.68 -1.77 -0.05 0.00 -2.42 0.00 0.00 31.31 27.75 1n5a n TRP 107 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 1n5a s ARG 108 N -1.67 3.87 -0.09 -0.99 6.06 -1.26 -4.80 118.95 120.07 1n5a s ARG 108 Ca 0.00 0.49 -0.29 0.00 -2.50 0.00 0.00 55.73 53.42 1n5a s ARG 108 Cb 0.00 -2.47 -0.04 0.00 0.06 0.00 0.00 34.95 32.50 1n5a s ARG 108 CO 0.00 0.13 1.58 -1.17 -2.50 0.00 0.00 175.30 173.34 1n5a s LEU 109 N -3.27 4.24 -0.16 -0.88 2.96 -1.26 -1.41 118.68 118.90 1n5a s LEU 109 Ca 0.51 2.06 -0.11 0.00 -0.22 0.00 0.00 54.13 56.38 1n5a s LEU 109 Cb -0.10 -3.53 -0.23 0.00 0.50 0.00 0.00 46.19 42.82 1n5a s LEU 109 CO 0.23 -0.94 0.26 -0.11 -1.32 0.00 0.00 176.35 174.48 1n5a n LEU 110 N 7.21 2.41 -3.55 -0.68 7.94 0.23 -4.86 117.00 125.69 1n5a n LEU 110 Ca 0.17 0.26 -0.16 0.00 -1.11 0.00 0.00 56.01 55.16 1n5a n LEU 110 Cb 0.43 -1.06 -0.06 0.00 0.53 0.00 0.00 43.42 43.27 1n5a n LEU 110 CO 0.61 0.68 0.48 -0.60 -1.11 0.00 0.00 177.39 177.46 1n5a s ARG 111 N -2.50 0.95 0.19 1.96 3.52 -1.14 -5.00 118.95 116.93 1n5a s ARG 111 Ca -0.26 0.43 0.05 0.00 -0.13 0.00 0.00 55.73 55.82 1n5a s ARG 111 Cb 0.07 0.45 -0.04 0.00 -1.56 0.00 0.00 34.95 33.87 1n5a s ARG 111 CO 0.70 -0.25 0.19 0.20 -0.81 0.00 0.00 175.30 175.32 1n5a s GLY 112 N -0.78 1.60 -0.00 8.12 0.00 -1.26 -0.76 107.32 114.24 1n5a s GLY 112 Ca -0.07 -1.24 0.02 0.00 0.00 0.00 0.00 44.72 43.43 1n5a s GLY 112 CO 0.07 -1.25 -0.06 -0.19 0.00 0.00 0.00 173.10 171.66 1n5a s TYR 113 N -1.86 0.55 -0.29 1.90 2.02 0.56 -4.83 117.35 115.39 1n5a s TYR 113 Ca 0.32 -0.13 -0.03 0.00 -0.37 0.00 0.00 57.07 56.86 1n5a s TYR 113 Cb -0.10 -0.35 0.19 0.00 -0.40 0.00 0.00 41.96 41.31 1n5a s TYR 113 CO 0.25 -0.01 0.80 -1.17 -1.57 0.00 0.00 175.55 173.85 1n5a s LEU 114 N -0.26 -1.05 0.02 -1.29 0.20 -1.24 -0.90 118.68 114.16 1n5a s LEU 114 Ca 0.01 0.19 0.01 0.00 0.69 0.00 0.00 54.13 55.03 1n5a s LEU 114 Cb -0.03 1.69 -0.01 0.00 -0.43 0.00 0.00 46.19 47.41 1n5a s LEU 114 CO -0.00 -0.19 -0.04 0.00 -0.29 0.00 0.00 176.35 175.83 1n5a s GLN 115 N 2.89 0.31 0.10 1.98 -2.07 -0.56 -0.57 119.66 121.74 1n5a s GLN 115 Ca 0.17 -0.47 0.09 0.00 -1.82 0.00 0.00 55.36 53.34 1n5a s GLN 115 Cb -0.07 -0.07 -0.04 0.00 -1.09 0.00 0.00 33.01 31.74 1n5a s GLN 115 CO -0.23 0.00 -0.23 -0.06 -1.32 0.00 0.00 175.29 173.45 1n5a s PHE 116 N -0.97 2.02 0.04 9.60 0.40 0.48 -1.64 117.98 127.91 1n5a s PHE 116 Ca -0.09 -0.40 0.04 0.00 -0.60 0.00 0.00 56.93 55.88 1n5a s PHE 116 Cb -0.07 -1.12 -0.02 0.00 0.51 0.00 0.00 43.02 42.32 1n5a s PHE 116 CO -0.00 0.24 -0.11 0.00 0.70 0.00 0.00 175.22 176.04 1n5a s ALA 117 N -1.06 0.93 -0.06 5.36 0.00 0.46 -0.04 121.76 127.34 1n5a s ALA 117 Ca 0.10 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.31 1n5a s ALA 117 Cb -0.10 -0.10 0.01 0.00 0.00 0.00 0.00 23.12 22.93 1n5a s ALA 117 CO 0.04 0.14 -0.13 -0.47 0.00 0.00 0.00 175.76 175.34 1n5a s TYR 118 N -0.97 1.48 -1.52 0.00 5.04 0.57 0.04 117.35 121.98 1n5a s TYR 118 Ca -0.02 -0.53 0.00 0.00 -2.44 0.00 0.00 57.07 54.08 1n5a s TYR 118 Cb -0.08 -1.07 0.00 0.00 0.35 0.00 0.00 41.96 41.16 1n5a s TYR 118 CO 0.01 -0.26 0.00 0.39 -1.34 0.00 0.00 175.55 174.35 1n5a n GLU 119 N 3.74 -1.87 -0.97 4.97 -0.58 0.10 -0.70 120.64 125.33 1n5a n GLU 119 Ca -0.22 0.86 0.00 0.00 -0.42 0.00 0.00 57.16 57.38 1n5a n GLU 119 Cb 0.52 -5.48 0.00 0.00 -0.57 0.00 0.00 31.44 25.91 1n5a n GLU 119 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1n5a n GLY 120 N -0.88 0.75 3.68 0.62 0.00 -1.26 -4.97 105.19 103.12 1n5a n GLY 120 Ca -0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 1n5a n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n5a s ARG 121 N -0.13 2.49 0.23 1.61 3.00 0.12 -5.04 118.95 121.23 1n5a s ARG 121 Ca 0.00 -0.94 -0.30 0.00 0.00 0.00 0.00 55.73 54.49 1n5a s ARG 121 Cb 0.00 -2.47 -0.10 0.00 0.00 0.00 0.00 34.95 32.38 1n5a s ARG 121 CO 0.00 0.51 1.45 -0.51 0.00 0.00 0.00 175.30 176.75 1n5a s ASP 122 N -2.56 6.66 -0.04 0.23 1.01 -1.26 -0.32 116.67 120.40 1n5a s ASP 122 Ca 0.26 2.63 -0.08 0.00 0.71 0.00 0.00 52.55 56.07 1n5a s ASP 122 Cb -0.11 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.18 1n5a s ASP 122 CO 0.18 -0.71 -0.15 0.00 0.21 0.00 0.00 175.17 174.70 1n5a n TYR 123 N 2.70 0.00 -3.72 4.23 9.36 0.94 -4.76 117.16 125.91 1n5a n TYR 123 Ca 0.08 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.16 1n5a n TYR 123 Cb 0.40 -0.22 -0.09 0.00 -0.63 0.00 0.00 39.34 38.80 1n5a n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1n5a s ILE 124 N -2.24 0.03 -0.02 2.97 2.07 -1.12 -4.13 121.20 118.76 1n5a s ILE 124 Ca -0.13 -0.24 -0.04 0.00 -1.41 0.00 0.00 60.65 58.83 1n5a s ILE 124 Cb 0.02 -0.66 0.00 0.00 0.13 0.00 0.00 42.46 41.95 1n5a s ILE 124 CO 0.19 -0.13 0.09 0.00 -1.91 0.00 0.00 174.94 173.18 1n5a s ALA 125 N -0.76 -0.22 -0.08 1.50 0.00 -0.26 -0.39 121.76 121.55 1n5a s ALA 125 Ca -0.08 0.03 -0.29 0.00 0.00 0.00 0.00 51.96 51.62 1n5a s ALA 125 Cb -0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 1n5a s ALA 125 CO 0.04 -0.11 0.98 -1.17 0.00 0.00 0.00 175.76 175.49 1n5a s LEU 126 N -0.59 4.28 0.97 0.00 2.96 0.26 -0.81 118.68 125.75 1n5a s LEU 126 Ca -0.07 1.54 -0.12 0.00 -0.22 0.00 0.00 54.13 55.26 1n5a s LEU 126 Cb -0.04 -3.53 0.17 0.00 0.50 0.00 0.00 46.19 43.29 1n5a s LEU 126 CO 0.00 -0.38 1.09 0.20 -1.32 0.00 0.00 176.35 175.95 1n5a s ASN 127 N 1.06 2.87 0.19 3.68 0.01 0.49 -4.63 114.94 118.60 1n5a s ASN 127 Ca 0.48 1.28 0.18 0.00 -0.71 0.00 0.00 52.86 54.10 1n5a s ASN 127 Cb -0.19 -1.95 0.83 0.00 0.41 0.00 0.00 41.25 40.36 1n5a s ASN 127 CO 0.21 -2.99 1.56 -1.84 -1.51 0.00 0.00 177.10 172.53 1n5a n GLU 128 N -4.09 0.12 0.00 -0.60 0.28 -1.26 -1.09 120.64 113.99 1n5a n GLU 128 Ca 0.06 0.45 0.13 0.00 -0.16 0.00 0.00 57.16 57.63 1n5a n GLU 128 Cb 0.57 -1.77 0.70 0.00 1.43 0.00 0.00 31.44 32.36 1n5a n GLU 128 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1n5a n ASP 129 N -2.00 0.00 -1.37 -1.84 5.75 -1.26 -4.78 116.55 111.04 1n5a n ASP 129 Ca 0.01 -0.36 -0.16 0.00 -0.01 0.00 0.00 54.79 54.28 1n5a n ASP 129 Cb 0.15 -0.18 -0.07 0.00 -1.03 0.00 0.00 41.12 39.99 1n5a n ASP 129 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1n5a n LEU 130 N -1.18 -1.09 0.00 -2.12 4.77 -0.25 -4.68 117.00 112.45 1n5a n LEU 130 Ca 0.15 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 1n5a n LEU 130 Cb 0.16 -2.46 0.00 0.00 -2.33 0.00 0.00 43.42 38.79 1n5a n LEU 130 CO 0.18 -0.91 -0.38 0.29 -1.33 0.00 0.00 177.39 175.24 1n5a n LYS 131 N -1.89 1.74 -4.34 3.23 5.02 -1.26 -4.67 118.16 115.98 1n5a n LYS 131 Ca -0.16 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.87 1n5a n LYS 131 Cb 0.56 -0.88 -0.10 0.00 -0.02 0.00 0.00 35.03 34.60 1n5a n LYS 131 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1n5a s THR 132 N -1.75 2.91 0.12 -0.18 -4.23 -1.26 -4.89 115.64 106.35 1n5a s THR 132 Ca 0.00 -1.85 0.06 0.00 -1.18 0.00 0.00 61.69 58.72 1n5a s THR 132 Cb 0.00 -2.45 -0.04 0.00 1.34 0.00 0.00 72.50 71.35 1n5a s THR 132 CO 0.00 -0.16 -0.03 0.26 -0.54 0.00 0.00 174.62 174.15 1n5a s TRP 133 N -1.82 2.86 -0.19 3.99 0.52 -1.26 -0.38 118.94 122.65 1n5a s TRP 133 Ca 0.25 -0.11 -0.03 0.00 0.02 0.00 0.00 56.10 56.23 1n5a s TRP 133 Cb -0.08 -1.45 -0.01 0.00 -1.15 0.00 0.00 33.47 30.78 1n5a s TRP 133 CO 0.14 0.48 -0.06 0.99 0.02 0.00 0.00 176.95 178.52 1n5a s THR 134 N -1.42 3.43 -0.22 2.01 2.01 0.01 -4.89 115.64 116.57 1n5a s THR 134 Ca 0.25 -0.49 -0.04 0.00 0.31 0.00 0.00 61.69 61.72 1n5a s THR 134 Cb -0.11 -2.52 0.12 0.00 0.01 0.00 0.00 72.50 69.99 1n5a s THR 134 CO 0.17 0.46 0.35 0.00 -0.69 0.00 0.00 174.62 174.91 1n5a s ALA 135 N 1.03 -0.93 -0.09 7.40 0.00 -1.26 -1.10 121.76 126.80 1n5a s ALA 135 Ca 0.00 0.91 -0.19 0.00 0.00 0.00 0.00 51.96 52.68 1n5a s ALA 135 Cb -0.15 -1.51 -0.16 0.00 0.00 0.00 0.00 23.12 21.31 1n5a s ALA 135 CO -0.00 -1.12 0.68 0.00 0.00 0.00 0.00 175.76 175.32 1n5a h ALA 136 N 8.21 -0.11 -2.64 0.00 0.00 -1.88 -3.45 119.26 119.40 1n5a h ALA 136 Ca -0.18 -0.26 -0.53 0.00 0.00 0.00 0.00 54.91 53.93 1n5a h ALA 136 Cb 1.14 0.04 0.17 0.00 0.00 0.00 0.00 17.79 19.14 1n5a h ALA 136 CO 0.24 -0.15 0.37 -0.51 0.00 0.00 0.00 179.25 179.19 1n5a s ASP 137 N -5.71 3.95 0.10 0.00 1.01 -1.26 -4.86 116.67 109.90 1n5a s ASP 137 Ca -0.12 2.34 -0.22 0.00 0.71 0.00 0.00 52.55 55.27 1n5a s ASP 137 Cb -0.01 -2.59 -0.11 0.00 1.01 0.00 0.00 42.92 41.23 1n5a s ASP 137 CO 0.45 -2.43 1.75 0.24 0.21 0.00 0.00 175.17 175.39 1n5a h MET 138 N -0.58 0.09 -0.86 8.23 2.86 -2.00 -1.11 114.93 121.56 1n5a h MET 138 Ca -0.47 -0.01 0.23 0.00 -2.06 0.00 0.00 59.70 57.39 1n5a h MET 138 Cb 1.29 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.89 1n5a h MET 138 CO 0.48 0.06 0.60 0.00 1.06 0.00 0.00 176.91 179.11 1n5a h ALA 139 N 1.04 2.58 -0.00 6.32 0.00 -1.90 -1.99 119.26 125.31 1n5a h ALA 139 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1n5a h ALA 139 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1n5a h ALA 139 CO -0.02 -0.84 -0.11 0.00 0.00 0.00 0.00 179.25 178.28 1n5a n ALA 140 N -2.63 2.63 0.23 0.00 0.00 -0.43 -2.89 120.51 117.42 1n5a n ALA 140 Ca 0.18 -0.17 0.09 0.00 0.00 0.00 0.00 53.44 53.54 1n5a n ALA 140 Cb 0.83 -1.39 0.52 0.00 0.00 0.00 0.00 19.45 19.42 1n5a n ALA 140 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1n5a h GLN 141 N 0.04 0.00 0.18 0.00 1.08 -1.31 0.96 115.11 116.05 1n5a h GLN 141 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1n5a h GLN 141 Cb 0.48 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1n5a h GLN 141 CO 0.00 0.23 -0.09 0.82 -0.95 0.00 0.00 178.83 178.85 1n5a h ILE 142 N 0.00 0.88 -0.69 2.54 2.04 -1.68 -0.60 117.51 120.00 1n5a h ILE 142 Ca -0.00 -0.28 0.05 0.00 1.00 0.00 0.00 64.86 65.63 1n5a h ILE 142 Cb 0.61 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.70 1n5a h ILE 142 CO 0.03 0.07 0.40 0.74 0.00 0.00 0.00 178.15 179.38 1n5a h THR 143 N -0.38 1.01 -0.94 -0.27 2.02 -1.42 -1.02 112.91 111.91 1n5a h THR 143 Ca -0.02 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1n5a h THR 143 Cb 0.29 0.19 -0.05 0.00 -1.74 0.00 0.00 68.15 66.85 1n5a h THR 143 CO 0.04 0.14 0.60 -0.09 0.37 0.00 0.00 175.52 176.58 1n5a h ARG 144 N 0.75 1.26 -0.06 6.66 2.43 -0.38 0.31 114.38 125.34 1n5a h ARG 144 Ca 0.30 -0.09 -0.17 0.00 -0.81 0.00 0.00 59.98 59.20 1n5a h ARG 144 Cb 0.14 -0.27 0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1n5a h ARG 144 CO -0.16 0.85 -0.65 0.00 -1.51 0.00 0.00 179.97 178.51 1n5a h ARG 145 N 1.29 0.54 -0.37 0.20 3.08 -0.41 -0.96 114.38 117.76 1n5a h ARG 145 Ca 0.34 -0.50 0.07 0.00 0.07 0.00 0.00 59.98 59.96 1n5a h ARG 145 Cb -0.11 0.12 -0.09 0.00 0.08 0.00 0.00 29.97 29.98 1n5a h ARG 145 CO -0.07 1.13 -0.37 -0.22 -1.07 0.00 0.00 179.97 179.37 1n5a h LYS 146 N 0.13 -0.30 0.00 0.04 3.64 -0.40 0.55 116.57 120.23 1n5a h LYS 146 Ca -0.06 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 1n5a h LYS 146 Cb 1.31 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.19 1n5a h LYS 146 CO 0.13 -0.20 -0.26 -1.49 -2.27 0.00 0.00 179.45 175.36 1n5a h TRP 147 N -0.31 0.00 -0.06 1.91 4.06 -0.36 -2.41 115.95 118.78 1n5a h TRP 147 Ca 0.15 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.94 1n5a h TRP 147 Cb 0.56 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.73 1n5a h TRP 147 CO -0.56 0.26 -0.59 0.93 -3.56 0.00 0.00 178.44 174.92 1n5a h GLU 148 N 0.00 0.50 0.00 0.49 5.08 0.38 -2.59 114.58 118.44 1n5a h GLU 148 Ca -0.00 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1n5a h GLU 148 Cb 0.52 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1n5a h GLU 148 CO 0.03 1.10 0.00 1.04 -1.00 0.00 0.00 179.01 180.18 1n5a n GLN 149 N -4.19 0.09 0.00 2.33 6.02 0.00 -3.05 117.38 118.59 1n5a n GLN 149 Ca -0.09 0.20 0.08 0.00 -0.01 0.00 0.00 57.00 57.18 1n5a n GLN 149 Cb 0.65 -1.63 -0.01 0.00 1.02 0.00 0.00 30.24 30.28 1n5a n GLN 149 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1n5a n SER 150 N -1.78 1.54 0.00 1.08 3.41 -0.93 -4.97 113.62 111.97 1n5a n SER 150 Ca 0.05 -1.27 0.00 0.00 -0.26 0.00 0.00 58.87 57.38 1n5a n SER 150 Cb 0.28 0.52 0.00 0.00 -0.26 0.00 0.00 64.21 64.75 1n5a n SER 150 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n5a n GLY 151 N 1.17 0.73 0.34 5.00 0.00 -1.14 -4.95 105.19 106.34 1n5a n GLY 151 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 1n5a n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n5a n ALA 152 N -0.32 -0.40 -0.33 4.61 0.00 -0.99 -1.12 120.51 121.97 1n5a n ALA 152 Ca 0.00 0.75 0.13 0.00 0.00 0.00 0.00 53.44 54.32 1n5a n ALA 152 Cb 0.00 -0.20 0.32 0.00 0.00 0.00 0.00 19.45 19.56 1n5a n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n5a h ALA 153 N 0.66 1.56 -0.81 0.00 0.00 -1.91 0.53 119.26 119.30 1n5a h ALA 153 Ca 0.19 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1n5a h ALA 153 Cb 0.40 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1n5a h ALA 153 CO -0.80 -0.19 0.46 0.93 0.00 0.00 0.00 179.25 179.65 1n5a h GLU 154 N 0.60 1.11 0.14 0.00 3.07 -1.39 0.49 114.58 118.59 1n5a h GLU 154 Ca 0.57 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.36 59.31 1n5a h GLU 154 Cb 0.98 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 28.66 1n5a h GLU 154 CO -0.44 0.79 -0.07 1.25 -1.40 0.00 0.00 179.01 179.15 1n5a h HIS 155 N 1.12 -0.17 -0.51 4.33 -0.00 0.13 -0.99 115.15 119.06 1n5a h HIS 155 Ca 0.29 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.63 1n5a h HIS 155 Cb -0.01 0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 27.44 1n5a h HIS 155 CO 0.01 0.12 0.21 1.88 -0.00 0.00 0.00 177.93 180.15 1n5a h TYR 156 N -0.47 0.72 -0.91 5.26 0.05 -1.09 -2.59 116.97 117.93 1n5a h TYR 156 Ca -0.02 -0.03 0.06 0.00 0.05 0.00 0.00 58.73 58.79 1n5a h TYR 156 Cb 0.37 -0.23 -0.06 0.00 1.01 0.00 0.00 36.73 37.83 1n5a h TYR 156 CO 0.02 0.56 0.58 -0.22 -1.05 0.00 0.00 178.16 178.04 1n5a h LYS 157 N 0.72 1.03 -0.67 4.88 3.64 0.54 0.14 116.57 126.86 1n5a h LYS 157 Ca 0.18 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.42 1n5a h LYS 157 Cb 0.13 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 1n5a h LYS 157 CO -0.02 0.68 0.15 0.00 -2.27 0.00 0.00 179.45 177.99 1n5a h ALA 158 N 1.41 0.88 -0.29 5.00 0.00 -0.82 -0.80 119.26 124.65 1n5a h ALA 158 Ca 0.39 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1n5a h ALA 158 Cb 0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1n5a h ALA 158 CO -0.16 0.61 -0.15 -0.92 0.00 0.00 0.00 179.25 178.63 1n5a h TYR 159 N 1.00 0.70 -0.25 0.00 3.20 -0.87 -1.35 116.97 119.40 1n5a h TYR 159 Ca 0.21 -0.18 0.04 0.00 3.14 0.00 0.00 58.73 61.94 1n5a h TYR 159 Cb 0.39 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.46 1n5a h TYR 159 CO 0.03 0.85 -0.00 -0.07 -1.64 0.00 0.00 178.16 177.32 1n5a h LEU 160 N 0.35 -0.10 -0.42 2.82 3.38 -0.50 -1.51 115.31 119.34 1n5a h LEU 160 Ca 0.06 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1n5a h LEU 160 Cb 0.67 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 1n5a h LEU 160 CO 0.04 -0.02 -0.11 -0.33 0.09 0.00 0.00 178.44 178.12 1n5a h GLU 161 N 0.08 0.00 0.00 1.13 5.08 -1.09 -3.32 114.58 116.45 1n5a h GLU 161 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1n5a h GLU 161 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1n5a h GLU 161 CO -0.20 0.11 0.00 0.41 -1.00 0.00 0.00 179.01 178.32 1n5a n GLY 162 N 0.80 0.34 0.35 -3.84 0.00 -0.52 -4.56 105.19 97.76 1n5a n GLY 162 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.98 1n5a n GLY 162 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n5a n GLU 163 N 0.00 -0.32 -0.23 1.61 1.02 -1.19 0.11 120.64 121.64 1n5a n GLU 163 Ca 0.00 1.28 0.04 0.00 -0.02 0.00 0.00 57.16 58.46 1n5a n GLU 163 Cb 0.00 -1.89 0.15 0.00 -0.02 0.00 0.00 31.44 29.68 1n5a n GLU 163 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1n5a h VAL 165 N 0.18 0.39 -0.59 0.00 2.07 -0.66 -2.11 116.25 115.53 1n5a h VAL 165 Ca 0.38 -0.76 0.11 0.00 0.82 0.00 0.00 66.70 67.25 1n5a h VAL 165 Cb 0.65 0.64 -0.11 0.00 -1.52 0.00 0.00 31.29 30.94 1n5a h VAL 165 CO -0.55 0.09 -0.32 -0.33 0.02 0.00 0.00 177.57 176.48 1n5a h GLU 166 N -1.00 -0.14 -0.17 1.57 5.08 0.27 -1.37 114.58 118.81 1n5a h GLU 166 Ca -0.05 0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 1n5a h GLU 166 Cb 0.49 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1n5a h GLU 166 CO 0.07 -0.10 -0.45 -1.49 -1.00 0.00 0.00 179.01 176.05 1n5a h TRP 167 N -0.15 0.52 -0.65 4.33 4.06 0.50 -3.02 115.95 121.54 1n5a h TRP 167 Ca 0.24 -0.16 0.07 0.00 2.06 0.00 0.00 58.89 61.11 1n5a h TRP 167 Cb 0.55 -0.11 -0.06 0.00 -1.00 0.00 0.00 29.16 28.54 1n5a h TRP 167 CO -0.63 0.81 0.32 1.25 -3.56 0.00 0.00 178.44 176.64 1n5a h LEU 168 N 0.35 0.43 -0.40 -4.49 5.85 -0.56 0.54 115.31 117.04 1n5a h LEU 168 Ca 0.02 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.84 1n5a h LEU 168 Cb 0.93 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.89 1n5a h LEU 168 CO 0.08 0.27 0.12 0.45 -0.34 0.00 0.00 178.44 179.02 1n5a h HIS 169 N 0.58 0.21 0.48 1.25 3.86 -1.25 0.43 115.15 120.71 1n5a h HIS 169 Ca 0.31 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.51 1n5a h HIS 169 Cb 0.27 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.71 1n5a h HIS 169 CO -0.11 0.07 -0.24 -0.09 0.86 0.00 0.00 177.93 178.42 1n5a h ARG 170 N 0.27 -0.64 -0.58 2.45 2.43 -0.90 -1.65 114.38 115.76 1n5a h ARG 170 Ca 0.19 0.04 0.11 0.00 -0.81 0.00 0.00 59.98 59.51 1n5a h ARG 170 Cb 0.19 0.15 -0.08 0.00 -0.42 0.00 0.00 29.97 29.80 1n5a h ARG 170 CO -0.21 -0.43 0.10 1.88 -1.51 0.00 0.00 179.97 179.81 1n5a h TYR 171 N -0.67 0.16 -0.50 2.20 0.05 0.56 -0.51 116.97 118.26 1n5a h TYR 171 Ca -0.06 0.04 0.05 0.00 0.05 0.00 0.00 58.73 58.81 1n5a h TYR 171 Cb 0.52 0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.25 1n5a h TYR 171 CO -0.05 -0.04 0.33 -0.07 -1.05 0.00 0.00 178.16 177.28 1n5a h LEU 172 N 0.23 0.40 -0.06 3.88 3.38 0.55 0.64 115.31 124.33 1n5a h LEU 172 Ca 0.30 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 1n5a h LEU 172 Cb 0.45 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1n5a h LEU 172 CO -0.40 0.27 -0.06 0.11 0.09 0.00 0.00 178.44 178.45 1n5a h LYS 173 N 0.46 0.14 0.00 1.13 1.57 -0.23 -3.14 116.57 116.51 1n5a h LYS 173 Ca 0.21 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1n5a h LYS 173 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1n5a h LYS 173 CO -0.06 0.58 0.00 -0.91 -0.57 0.00 0.00 179.45 178.50 1n5a h ASN 174 N -0.29 0.00 -0.86 0.86 2.35 0.02 -3.15 115.58 114.51 1n5a h ASN 174 Ca 0.01 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.24 1n5a h ASN 174 Cb 0.56 0.00 -0.42 0.00 0.05 0.00 0.00 38.32 38.50 1n5a h ASN 174 CO 0.01 0.00 -0.84 0.61 -1.65 0.00 0.00 177.43 175.56 1n5a n GLY 175 N -0.54 5.75 0.20 2.83 0.00 -0.81 -4.81 105.19 107.80 1n5a n GLY 175 Ca -0.00 -2.49 0.01 0.00 0.00 0.00 0.00 46.02 43.53 1n5a n GLY 175 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1n5a h ASN 176 N 2.31 0.12 1.18 1.61 2.35 -1.55 0.50 115.58 122.10 1n5a h ASN 176 Ca 0.29 -0.04 -0.11 0.00 -0.55 0.00 0.00 56.30 55.89 1n5a h ASN 176 Cb 1.39 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.71 1n5a h ASN 176 CO 0.71 0.46 -0.86 0.00 -1.65 0.00 0.00 177.43 176.09 1n5a h ALA 177 N 1.55 0.67 0.07 -0.83 0.00 -1.89 -3.24 119.26 115.59 1n5a h ALA 177 Ca 0.01 -0.52 -0.34 0.00 0.00 0.00 0.00 54.91 54.06 1n5a h ALA 177 Cb 0.66 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1n5a h ALA 177 CO 0.05 0.62 -1.91 2.41 0.00 0.00 0.00 179.25 180.42 1n5a n THR 178 N -3.03 1.70 -0.07 0.00 -1.04 -1.05 -4.67 114.28 106.11 1n5a n THR 178 Ca -0.02 -0.71 -0.22 0.00 -2.04 0.00 0.00 64.05 61.05 1n5a n THR 178 Cb 0.74 -1.42 -0.12 0.00 -1.82 0.00 0.00 70.33 67.71 1n5a n THR 178 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1n5a n LEU 179 N -3.29 2.18 -3.13 -4.42 4.77 0.14 -4.51 117.00 108.74 1n5a n LEU 179 Ca -0.27 0.32 -0.02 0.00 -0.03 0.00 0.00 56.01 56.02 1n5a n LEU 179 Cb 1.05 -1.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1n5a n LEU 179 CO 0.43 0.53 0.80 -0.11 -1.33 0.00 0.00 177.39 177.71 1n5a n LEU 180 N -4.04 0.03 -4.03 2.23 7.94 -1.22 -4.75 117.00 113.15 1n5a n LEU 180 Ca -0.34 -0.91 -0.14 0.00 -1.11 0.00 0.00 56.01 53.51 1n5a n LEU 180 Cb 0.84 -0.39 -0.12 0.00 0.53 0.00 0.00 43.42 44.27 1n5a n LEU 180 CO 0.26 -1.12 -0.40 -0.13 -1.11 0.00 0.00 177.39 174.89 1n5a s ARG 181 N 4.21 0.51 -0.05 1.96 0.52 -1.26 -4.94 118.95 119.91 1n5a s ARG 181 Ca 0.03 -0.58 -0.01 0.00 -0.52 0.00 0.00 55.73 54.65 1n5a s ARG 181 Cb 0.01 -0.35 0.03 0.00 0.52 0.00 0.00 34.95 35.15 1n5a s ARG 181 CO 0.01 0.08 0.01 0.95 0.02 0.00 0.00 175.30 176.37 1n5a s THR 182 N -0.97 0.20 -0.28 0.02 -4.23 -1.26 -4.89 115.64 104.23 1n5a s THR 182 Ca -0.06 0.18 -0.18 0.00 -1.18 0.00 0.00 61.69 60.45 1n5a s THR 182 Cb -0.07 -0.36 -0.02 0.00 1.34 0.00 0.00 72.50 73.39 1n5a s THR 182 CO 0.00 0.20 0.51 -1.81 -0.54 0.00 0.00 174.62 172.99 1n5a s ASP 183 N 1.69 6.40 0.53 3.99 1.11 -0.87 -4.90 116.67 124.63 1n5a s ASP 183 Ca -0.00 0.40 -0.19 0.00 0.18 0.00 0.00 52.55 52.94 1n5a s ASP 183 Cb -0.13 -2.28 -0.07 0.00 1.07 0.00 0.00 42.92 41.52 1n5a s ASP 183 CO -0.03 -0.33 1.06 -0.44 1.18 0.00 0.00 175.17 176.61 1n5a s SER 184 N 1.60 6.08 0.06 0.27 0.01 -1.26 -1.00 113.70 119.46 1n5a s SER 184 Ca 0.21 1.94 -0.30 0.00 1.31 0.00 0.00 55.95 59.10 1n5a s SER 184 Cb -0.16 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.47 1n5a s SER 184 CO 0.10 -0.96 1.16 -2.16 0.41 0.00 0.00 173.24 171.79 1n5a s PRO 185 N -3.47 4.46 -0.16 12.44 0.04 -1.26 -4.38 135.00 142.67 1n5a s PRO 185 Ca 0.67 1.71 -0.10 0.00 0.04 0.00 0.00 61.00 63.32 1n5a s PRO 185 Cb -0.17 -3.36 -0.05 0.00 0.04 0.00 0.00 34.50 30.96 1n5a s PRO 185 CO 0.26 -0.21 0.18 0.15 0.04 0.00 0.00 177.00 177.42 1n5a s LYS 186 N 0.98 4.03 0.03 4.56 1.02 -0.86 -4.88 119.74 124.62 1n5a s LYS 186 Ca 0.57 -0.10 0.08 0.00 0.02 0.00 0.00 55.97 56.54 1n5a s LYS 186 Cb -0.28 -3.36 -0.03 0.00 -0.52 0.00 0.00 37.83 33.64 1n5a s LYS 186 CO 0.29 0.41 -0.24 0.00 -0.92 0.00 0.00 175.35 174.89 1n5a s ALA 187 N 0.02 2.01 0.27 5.17 0.00 -1.26 -1.59 121.76 126.38 1n5a s ALA 187 Ca 0.12 -1.14 -0.06 0.00 0.00 0.00 0.00 51.96 50.88 1n5a s ALA 187 Cb -0.12 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 1n5a s ALA 187 CO 0.01 0.47 0.38 -3.38 0.00 0.00 0.00 175.76 173.25 1n5a s HIS 188 N -0.76 0.86 -0.02 0.00 -3.43 -1.04 -4.97 115.29 105.93 1n5a s HIS 188 Ca 0.10 -1.12 0.04 0.00 -0.80 0.00 0.00 55.06 53.28 1n5a s HIS 188 Cb -0.09 -0.12 -0.01 0.00 -1.43 0.00 0.00 32.58 30.93 1n5a s HIS 188 CO 0.01 -0.95 -0.13 0.08 -2.00 0.00 0.00 174.74 171.75 1n5a s VAL 189 N -3.70 1.04 0.11 -5.38 1.01 -1.26 -0.05 120.40 112.17 1n5a s VAL 189 Ca 0.30 -0.55 0.07 0.00 0.00 0.00 0.00 61.98 61.80 1n5a s VAL 189 Cb 0.01 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1n5a s VAL 189 CO 0.14 0.30 -0.08 0.42 0.00 0.00 0.00 175.10 175.89 1n5a s THR 190 N -0.19 3.51 -0.23 3.92 -4.23 0.51 -4.94 115.64 113.99 1n5a s THR 190 Ca 0.03 -1.23 -0.07 0.00 -1.18 0.00 0.00 61.69 59.24 1n5a s THR 190 Cb -0.06 -2.66 -0.03 0.00 1.34 0.00 0.00 72.50 71.09 1n5a s THR 190 CO -0.00 0.10 0.05 -2.28 -0.54 0.00 0.00 174.62 171.95 1n5a s HIS 191 N -1.27 3.08 -0.18 3.99 2.46 -1.26 -1.13 115.29 120.98 1n5a s HIS 191 Ca 0.23 -0.40 0.01 0.00 0.47 0.00 0.00 55.06 55.36 1n5a s HIS 191 Cb -0.11 -2.18 0.02 0.00 -0.13 0.00 0.00 32.58 30.17 1n5a s HIS 191 CO 0.15 -0.29 -0.19 -1.01 -2.47 0.00 0.00 174.74 170.93 1n5a s HIS 192 N 1.35 2.79 0.14 3.88 3.76 0.89 -4.98 115.29 123.12 1n5a s HIS 192 Ca 0.05 -1.59 -0.34 0.00 -0.15 0.00 0.00 55.06 53.03 1n5a s HIS 192 Cb -0.15 -1.93 -0.16 0.00 1.11 0.00 0.00 32.58 31.45 1n5a s HIS 192 CO 0.03 -0.79 1.33 -2.30 -0.85 0.00 0.00 174.74 172.16 1n5a n PRO 193 N 4.63 1.41 0.00 8.40 -0.02 -1.26 -0.01 135.00 148.15 1n5a n PRO 193 Ca -0.21 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1n5a n PRO 193 Cb 0.50 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1n5a n PRO 193 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1n5a n ARG 194 N 2.37 2.73 -0.67 -0.52 0.63 -0.56 -4.73 116.66 115.91 1n5a n ARG 194 Ca 0.16 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.77 1n5a n ARG 194 Cb 0.24 0.00 0.18 0.00 0.45 0.00 0.00 32.46 33.32 1n5a n ARG 194 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1n5a n SER 195 N 0.00 -2.16 -4.54 6.15 3.41 -1.02 -4.65 113.62 110.82 1n5a n SER 195 Ca 0.00 -0.03 -0.54 0.00 -0.26 0.00 0.00 58.87 58.04 1n5a n SER 195 Cb 0.00 -1.06 -0.07 0.00 -0.26 0.00 0.00 64.21 62.81 1n5a n SER 195 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1n5a n LYS 196 N -2.48 1.08 -2.36 4.33 0.00 -1.26 -0.10 118.16 117.37 1n5a n LYS 196 Ca 0.02 0.34 -0.18 0.00 0.00 0.00 0.00 58.31 58.50 1n5a n LYS 196 Cb 0.59 -2.26 -0.01 0.00 0.00 0.00 0.00 35.03 33.36 1n5a n LYS 196 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1n5a n GLY 197 N 5.68 -0.38 2.74 3.14 0.00 -1.26 -4.99 105.19 110.12 1n5a n GLY 197 Ca 0.36 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 46.01 1n5a n GLY 197 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n5a s GLU 198 N -4.92 0.55 0.25 1.61 2.02 0.86 -2.70 118.70 116.38 1n5a s GLU 198 Ca 0.01 -0.08 0.11 0.00 0.02 0.00 0.00 54.97 55.03 1n5a s GLU 198 Cb -0.00 -1.41 -0.05 0.00 0.10 0.00 0.00 34.13 32.77 1n5a s GLU 198 CO 0.01 -0.45 -0.17 0.14 0.02 0.00 0.00 175.26 174.82 1n5a s VAL 199 N 1.96 2.68 -0.14 2.63 -7.23 0.35 -1.49 120.40 119.16 1n5a s VAL 199 Ca 0.03 -2.18 -0.05 0.00 -1.81 0.00 0.00 61.98 57.97 1n5a s VAL 199 Cb -0.14 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 1n5a s VAL 199 CO -0.06 -0.31 0.03 -0.89 -0.31 0.00 0.00 175.10 173.55 1n5a s THR 200 N -2.24 4.49 -0.25 5.32 2.01 0.98 -0.24 115.64 125.72 1n5a s THR 200 Ca 0.28 -0.16 -0.06 0.00 0.31 0.00 0.00 61.69 62.06 1n5a s THR 200 Cb -0.06 -2.96 -0.02 0.00 0.01 0.00 0.00 72.50 69.47 1n5a s THR 200 CO 0.15 0.53 0.04 -0.76 -0.69 0.00 0.00 174.62 173.89 1n5a s LEU 201 N -0.21 3.37 -0.25 4.42 1.43 -0.42 -0.08 118.68 126.94 1n5a s LEU 201 Ca 0.06 -0.35 -0.06 0.00 -1.03 0.00 0.00 54.13 52.74 1n5a s LEU 201 Cb -0.12 -1.86 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 1n5a s LEU 201 CO 0.02 -0.06 0.04 -0.60 0.23 0.00 0.00 176.35 175.98 1n5a s ARG 202 N 1.56 3.52 -0.38 1.70 6.06 -0.29 -1.98 118.95 129.14 1n5a s ARG 202 Ca 0.05 -0.56 -0.16 0.00 -2.50 0.00 0.00 55.73 52.57 1n5a s ARG 202 Cb -0.15 -3.25 0.00 0.00 0.06 0.00 0.00 34.95 31.61 1n5a s ARG 202 CO 0.01 -0.22 0.37 0.00 -2.50 0.00 0.00 175.30 172.96 1n5a s TRP 204 N 1.97 3.38 -0.15 0.00 0.52 0.93 -2.08 118.94 123.51 1n5a s TRP 204 Ca 0.10 0.24 -0.01 0.00 0.02 0.00 0.00 56.10 56.45 1n5a s TRP 204 Cb -0.17 -1.75 0.04 0.00 -1.15 0.00 0.00 33.47 30.44 1n5a s TRP 204 CO 0.12 0.58 -0.05 0.00 0.02 0.00 0.00 176.95 177.62 1n5a s ALA 205 N -1.32 1.40 0.19 0.98 0.00 0.41 -2.50 121.76 120.92 1n5a s ALA 205 Ca 0.27 -0.73 0.09 0.00 0.00 0.00 0.00 51.96 51.59 1n5a s ALA 205 Cb -0.12 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 1n5a s ALA 205 CO 0.19 -0.70 -0.18 -0.51 0.00 0.00 0.00 175.76 174.56 1n5a s LEU 206 N 1.67 2.49 -1.53 0.00 1.43 -0.62 -1.72 118.68 120.40 1n5a s LEU 206 Ca 0.02 -0.93 -0.14 0.00 -1.03 0.00 0.00 54.13 52.05 1n5a s LEU 206 Cb -0.15 -0.85 0.08 0.00 0.03 0.00 0.00 46.19 45.31 1n5a s LEU 206 CO -0.08 -0.05 0.98 0.61 0.23 0.00 0.00 176.35 178.04 1n5a n GLY 207 N -0.03 -0.49 3.71 -3.19 0.00 -0.92 -2.03 105.19 102.23 1n5a n GLY 207 Ca -0.10 0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1n5a n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1n5a s PHE 208 N -3.31 3.02 -0.15 1.61 -0.12 -1.16 -4.45 117.98 113.42 1n5a s PHE 208 Ca 0.65 -0.02 -0.15 0.00 -0.05 0.00 0.00 56.93 57.36 1n5a s PHE 208 Cb -0.33 -1.54 0.04 0.00 -0.63 0.00 0.00 43.02 40.57 1n5a s PHE 208 CO 0.83 0.49 0.43 -0.47 -0.05 0.00 0.00 175.22 176.45 1n5a s TYR 209 N -1.38 -0.46 1.21 3.49 5.04 -0.17 -0.91 117.35 124.18 1n5a s TYR 209 Ca 0.27 1.09 -0.18 0.00 -2.44 0.00 0.00 57.07 55.82 1n5a s TYR 209 Cb -0.11 0.16 0.29 0.00 0.35 0.00 0.00 41.96 42.65 1n5a s TYR 209 CO 0.19 -0.25 1.05 -2.14 -1.34 0.00 0.00 175.55 173.06 1n5a s PRO 210 N 0.07 -1.31 0.48 4.97 0.02 -1.26 -2.04 135.00 135.93 1n5a s PRO 210 Ca -0.01 0.25 0.24 0.00 0.02 0.00 0.00 61.00 61.50 1n5a s PRO 210 Cb -0.03 -1.56 1.21 0.00 0.02 0.00 0.00 34.50 34.14 1n5a s PRO 210 CO 0.01 -3.83 1.98 0.00 -0.33 0.00 0.00 177.00 174.83 1n5a h ALA 211 N -2.68 1.27 -2.68 -1.55 0.00 -1.96 -3.43 119.26 108.22 1n5a h ALA 211 Ca -0.50 -0.17 -0.53 0.00 0.00 0.00 0.00 54.91 53.72 1n5a h ALA 211 Cb 1.32 -0.03 0.06 0.00 0.00 0.00 0.00 17.79 19.14 1n5a h ALA 211 CO 0.41 0.23 0.87 -0.51 0.00 0.00 0.00 179.25 180.25 1n5a s ASP 212 N -6.33 6.53 0.07 0.00 1.11 -1.26 -4.97 116.67 111.82 1n5a s ASP 212 Ca -0.02 2.73 -0.26 0.00 0.18 0.00 0.00 52.55 55.18 1n5a s ASP 212 Cb 0.13 -2.61 0.09 0.00 1.07 0.00 0.00 42.92 41.60 1n5a s ASP 212 CO 0.62 -0.84 0.79 -0.51 1.18 0.00 0.00 175.17 176.41 1n5a s ILE 213 N 0.66 0.00 -0.05 0.77 2.07 -1.26 -4.76 121.20 118.63 1n5a s ILE 213 Ca 0.67 -0.07 -0.04 0.00 -1.41 0.00 0.00 60.65 59.80 1n5a s ILE 213 Cb -0.45 -1.10 0.01 0.00 0.13 0.00 0.00 42.46 41.06 1n5a s ILE 213 CO 0.37 0.00 0.12 -0.89 -1.91 0.00 0.00 174.94 172.63 1n5a s THR 214 N -3.38 -0.01 -0.01 4.00 2.01 -0.89 -5.01 115.64 112.34 1n5a s THR 214 Ca 0.04 0.03 0.06 0.00 0.31 0.00 0.00 61.69 62.13 1n5a s THR 214 Cb -0.01 -0.18 -0.02 0.00 0.01 0.00 0.00 72.50 72.31 1n5a s THR 214 CO -0.09 0.01 -0.20 -0.76 -0.69 0.00 0.00 174.62 172.89 1n5a s LEU 215 N 0.21 2.04 0.01 4.42 1.02 -1.26 -1.68 118.68 123.44 1n5a s LEU 215 Ca -0.01 -0.36 -0.03 0.00 0.02 0.00 0.00 54.13 53.75 1n5a s LEU 215 Cb -0.02 -1.01 -0.01 0.00 0.02 0.00 0.00 46.19 45.17 1n5a s LEU 215 CO -0.01 0.24 0.05 0.42 0.02 0.00 0.00 176.35 177.07 1n5a s THR 216 N -0.46 0.08 -0.19 5.49 -4.23 -0.51 -4.97 115.64 110.85 1n5a s THR 216 Ca 0.08 -0.67 -0.07 0.00 -1.18 0.00 0.00 61.69 59.85 1n5a s THR 216 Cb -0.08 -0.29 -0.04 0.00 1.34 0.00 0.00 72.50 73.44 1n5a s THR 216 CO -0.01 -0.37 0.04 0.26 -0.54 0.00 0.00 174.62 174.00 1n5a s TRP 217 N -1.17 3.16 -0.02 3.99 0.52 -1.26 -0.34 118.94 123.82 1n5a s TRP 217 Ca -0.13 -0.12 0.06 0.00 0.02 0.00 0.00 56.10 55.93 1n5a s TRP 217 Cb -0.07 -2.09 -0.03 0.00 -1.15 0.00 0.00 33.47 30.13 1n5a s TRP 217 CO 0.00 -0.00 -0.18 -0.65 0.02 0.00 0.00 176.95 176.14 1n5a s GLN 218 N 0.64 2.30 -0.74 4.98 -0.21 0.17 -0.82 119.66 125.98 1n5a s GLN 218 Ca 0.02 -0.82 -0.15 0.00 0.02 0.00 0.00 55.36 54.43 1n5a s GLN 218 Cb -0.13 -2.25 0.19 0.00 1.00 0.00 0.00 33.01 31.82 1n5a s GLN 218 CO 0.02 0.59 0.69 -1.17 -2.12 0.00 0.00 175.29 173.30 1n5a s LEU 219 N -0.86 6.59 -0.62 2.90 2.96 -1.08 -1.28 118.68 127.29 1n5a s LEU 219 Ca 0.12 -2.43 -0.07 0.00 -0.22 0.00 0.00 54.13 51.53 1n5a s LEU 219 Cb -0.10 -2.21 0.06 0.00 0.50 0.00 0.00 46.19 44.44 1n5a s LEU 219 CO 0.01 -0.66 0.18 -0.46 -1.32 0.00 0.00 176.35 174.11 1n5a n ASN 220 N 4.35 -1.58 0.00 3.68 0.23 -0.49 -4.05 115.26 117.40 1n5a n ASN 220 Ca 0.06 -0.02 0.00 0.00 -0.53 0.00 0.00 54.58 54.09 1n5a n ASN 220 Cb 0.45 -1.44 0.00 0.00 -2.08 0.00 0.00 39.78 36.71 1n5a n ASN 220 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1n5a n GLY 221 N -0.71 -1.66 3.91 4.83 0.00 -1.26 -5.13 105.19 105.17 1n5a n GLY 221 Ca 0.02 0.56 -0.28 0.00 0.00 0.00 0.00 46.02 46.32 1n5a n GLY 221 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1n5a s GLU 222 N 0.00 3.61 -0.62 1.61 1.03 -1.26 -4.99 118.70 118.08 1n5a s GLU 222 Ca 0.00 -0.02 -0.28 0.00 0.03 0.00 0.00 54.97 54.70 1n5a s GLU 222 Cb 0.00 -2.64 0.02 0.00 -0.80 0.00 0.00 34.13 30.72 1n5a s GLU 222 CO 0.00 0.19 1.30 -1.83 -1.33 0.00 0.00 175.26 173.59 1n5a s GLU 223 N -3.68 3.33 0.12 -4.83 -1.05 -1.26 -2.64 118.70 108.68 1n5a s GLU 223 Ca 0.44 0.18 -0.35 0.00 -0.15 0.00 0.00 54.97 55.08 1n5a s GLU 223 Cb -0.11 -4.11 -0.16 0.00 -0.44 0.00 0.00 34.13 29.32 1n5a s GLU 223 CO 0.31 -1.93 1.33 -0.11 0.95 0.00 0.00 175.26 175.81 1n5a n LEU 224 N 9.18 1.79 -0.33 1.83 7.94 0.00 -4.84 117.00 132.59 1n5a n LEU 224 Ca 0.08 1.12 0.05 0.00 -1.11 0.00 0.00 56.01 56.16 1n5a n LEU 224 Cb 0.49 -1.22 0.12 0.00 0.53 0.00 0.00 43.42 43.33 1n5a n LEU 224 CO 0.71 -1.02 0.58 0.41 -1.11 0.00 0.00 177.39 176.97 1n5a n THR 225 N 2.36 1.43 -1.61 1.96 -1.04 -1.26 -4.52 114.28 111.60 1n5a n THR 225 Ca 0.17 -1.45 -0.15 0.00 -2.04 0.00 0.00 64.05 60.59 1n5a n THR 225 Cb 0.21 0.20 -0.11 0.00 -1.82 0.00 0.00 70.33 68.81 1n5a n THR 225 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1n5a s GLN 226 N -1.75 1.26 -1.59 -2.82 -0.44 -1.26 -3.82 119.66 109.23 1n5a s GLN 226 Ca 0.20 -0.31 -0.09 0.00 -2.50 0.00 0.00 55.36 52.66 1n5a s GLN 226 Cb 0.15 -4.96 0.08 0.00 -1.64 0.00 0.00 33.01 26.65 1n5a s GLN 226 CO 0.06 -5.33 0.52 -3.47 0.50 0.00 0.00 175.29 167.57 1n5a n ASP 227 N 19.47 -1.49 -4.70 6.67 2.03 -1.26 -4.85 116.55 132.42 1n5a n ASP 227 Ca 0.42 -1.07 -0.42 0.00 0.52 0.00 0.00 54.79 54.25 1n5a n ASP 227 Cb 0.46 -2.61 -0.03 0.00 -0.72 0.00 0.00 41.12 38.22 1n5a n ASP 227 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 1n5a s MET 228 N -6.89 4.46 0.12 -0.67 -2.45 -1.25 -4.85 119.30 107.77 1n5a s MET 228 Ca 0.37 1.56 -0.14 0.00 -1.25 0.00 0.00 55.69 56.23 1n5a s MET 228 Cb -0.20 -3.46 -0.07 0.00 1.25 0.00 0.00 34.83 32.35 1n5a s MET 228 CO 0.93 -0.23 0.51 -2.00 1.05 0.00 0.00 175.02 175.29 1n5a s GLU 229 N 1.42 3.95 0.00 4.11 2.12 -0.21 -4.89 118.70 125.19 1n5a s GLU 229 Ca 0.54 0.45 0.00 0.00 0.36 0.00 0.00 54.97 56.32 1n5a s GLU 229 Cb -0.24 -2.99 0.00 0.00 0.26 0.00 0.00 34.13 31.17 1n5a s GLU 229 CO 0.26 0.52 0.00 1.47 -0.54 0.00 0.00 175.26 176.96 1n5a n LEU 230 N 0.96 0.00 -3.70 2.70 -0.00 -1.26 0.17 117.00 115.87 1n5a n LEU 230 Ca -0.07 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.80 1n5a n LEU 230 Cb 0.52 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.86 1n5a n LEU 230 CO 0.42 0.00 0.14 0.68 -0.00 0.00 0.00 177.39 178.63 1n5a s VAL 231 N -2.40 0.03 0.33 1.47 -7.23 -1.07 -4.96 120.40 106.57 1n5a s VAL 231 Ca 0.00 -0.28 -0.28 0.00 -1.81 0.00 0.00 61.98 59.61 1n5a s VAL 231 Cb 0.00 -0.71 -0.13 0.00 0.56 0.00 0.00 36.38 36.11 1n5a s VAL 231 CO 0.00 -0.15 1.27 1.21 -0.31 0.00 0.00 175.10 177.12 1n5a n GLU 232 N 1.47 2.03 -1.67 4.82 2.13 -1.26 -4.61 120.64 123.55 1n5a n GLU 232 Ca -0.19 0.71 -0.44 0.00 0.66 0.00 0.00 57.16 57.90 1n5a n GLU 232 Cb 0.56 -2.28 -0.02 0.00 0.27 0.00 0.00 31.44 29.97 1n5a n GLU 232 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1n5a n THR 233 N 0.48 1.23 -4.21 6.31 -1.04 -1.26 -4.89 114.28 110.90 1n5a n THR 233 Ca 0.06 -0.31 -0.18 0.00 -2.04 0.00 0.00 64.05 61.58 1n5a n THR 233 Cb 0.35 -1.45 -0.11 0.00 -1.82 0.00 0.00 70.33 67.29 1n5a n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n5a s ARG 234 N -0.78 0.92 0.23 -2.82 1.04 -0.50 -4.97 118.95 112.07 1n5a s ARG 234 Ca 0.65 -1.11 -0.30 0.00 -1.04 0.00 0.00 55.73 53.93 1n5a s ARG 234 Cb -0.64 -0.83 -0.09 0.00 -2.04 0.00 0.00 34.95 31.35 1n5a s ARG 234 CO 0.53 0.17 1.05 -1.25 -0.04 0.00 0.00 175.30 175.75 1n5a s PRO 235 N -2.30 4.69 0.17 3.89 0.04 -1.26 0.19 135.00 140.42 1n5a s PRO 235 Ca 0.04 1.67 0.06 0.00 0.04 0.00 0.00 61.00 62.81 1n5a s PRO 235 Cb -0.07 -3.25 -0.02 0.00 0.04 0.00 0.00 34.50 31.21 1n5a s PRO 235 CO 0.02 0.26 1.38 0.00 0.04 0.00 0.00 177.00 178.71 1n5a h ALA 236 N 4.34 0.54 0.00 8.56 0.00 -1.29 -3.46 119.26 127.95 1n5a h ALA 236 Ca -0.45 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 53.69 1n5a h ALA 236 Cb 1.21 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1n5a h ALA 236 CO 0.69 1.01 0.00 0.41 0.00 0.00 0.00 179.25 181.36 1n5a n GLY 237 N 0.95 2.29 1.71 0.00 0.00 -1.26 -4.92 105.19 103.95 1n5a n GLY 237 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.09 1n5a n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1n5a n ASP 238 N 0.00 5.17 0.00 1.61 5.68 -1.26 -4.93 116.55 122.82 1n5a n ASP 238 Ca 0.00 -2.65 0.00 0.00 -0.50 0.00 0.00 54.79 51.64 1n5a n ASP 238 Cb 0.00 -0.62 0.00 0.00 -1.14 0.00 0.00 41.12 39.36 1n5a n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n5a n GLY 239 N 0.91 3.01 3.98 6.12 0.00 -1.26 -5.05 105.19 112.90 1n5a n GLY 239 Ca 0.27 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.06 1n5a n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n5a s THR 240 N -2.83 2.28 0.36 2.61 -4.23 -1.26 -4.88 115.64 107.68 1n5a s THR 240 Ca 0.00 -0.58 0.09 0.00 -1.18 0.00 0.00 61.69 60.02 1n5a s THR 240 Cb 0.00 -2.71 -0.06 0.00 1.34 0.00 0.00 72.50 71.07 1n5a s THR 240 CO 0.00 0.00 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.68 1n5a s PHE 241 N -3.06 2.47 0.09 3.99 0.08 -0.08 -0.81 117.98 120.65 1n5a s PHE 241 Ca 0.64 -0.51 0.03 0.00 0.12 0.00 0.00 56.93 57.21 1n5a s PHE 241 Cb -0.07 -1.49 -0.03 0.00 -0.57 0.00 0.00 43.02 40.85 1n5a s PHE 241 CO 0.43 0.52 -0.09 -0.65 -0.10 0.00 0.00 175.22 175.33 1n5a s GLN 242 N -3.67 0.79 -0.16 0.44 -0.21 0.13 -2.17 119.66 114.82 1n5a s GLN 242 Ca 0.34 -1.11 -0.30 0.00 0.02 0.00 0.00 55.36 54.31 1n5a s GLN 242 Cb 0.03 -0.46 0.12 0.00 1.00 0.00 0.00 33.01 33.70 1n5a s GLN 242 CO 0.18 0.07 0.95 0.21 -2.12 0.00 0.00 175.29 174.57 1n5a s LYS 243 N -2.72 0.66 0.02 2.91 2.20 -0.70 -1.41 119.74 120.70 1n5a s LYS 243 Ca 0.04 0.22 -0.11 0.00 -0.36 0.00 0.00 55.97 55.75 1n5a s LYS 243 Cb -0.03 0.31 0.01 0.00 -1.51 0.00 0.00 37.83 36.61 1n5a s LYS 243 CO -0.01 -0.19 0.23 1.67 -0.36 0.00 0.00 175.35 176.69 1n5a s TRP 244 N -0.97 -0.03 0.00 4.03 1.48 -1.26 -0.45 118.94 121.75 1n5a s TRP 244 Ca -0.03 -0.09 0.00 0.00 -1.06 0.00 0.00 56.10 54.92 1n5a s TRP 244 Cb -0.01 0.02 -0.00 0.00 -1.16 0.00 0.00 33.47 32.32 1n5a s TRP 244 CO 0.02 -0.42 -0.00 0.00 -4.06 0.00 0.00 176.95 172.49 1n5a s ALA 245 N -2.14 0.02 0.27 2.67 0.00 -0.89 -2.60 121.76 119.09 1n5a s ALA 245 Ca -0.08 -0.07 0.02 0.00 0.00 0.00 0.00 51.96 51.83 1n5a s ALA 245 Cb -0.03 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.05 1n5a s ALA 245 CO -0.01 -0.01 0.06 -1.54 0.00 0.00 0.00 175.76 174.25 1n5a s SER 246 N -0.16 1.66 0.05 0.00 1.04 0.46 -1.44 113.70 115.31 1n5a s SER 246 Ca -0.02 -1.34 -0.17 0.00 0.48 0.00 0.00 55.95 54.91 1n5a s SER 246 Cb -0.01 0.06 0.03 0.00 0.10 0.00 0.00 66.02 66.20 1n5a s SER 246 CO -0.00 -0.64 0.38 0.68 0.98 0.00 0.00 173.24 174.64 1n5a s VAL 247 N -3.55 0.06 -0.15 5.02 -7.23 -0.84 -1.05 120.40 112.67 1n5a s VAL 247 Ca 0.35 -0.53 -0.27 0.00 -1.81 0.00 0.00 61.98 59.72 1n5a s VAL 247 Cb 0.08 -0.98 -0.01 0.00 0.56 0.00 0.00 36.38 36.03 1n5a s VAL 247 CO 0.13 -0.29 0.90 0.68 -0.31 0.00 0.00 175.10 176.21 1n5a s VAL 248 N -2.65 4.83 -0.02 1.32 -7.23 -1.26 -1.31 120.40 114.09 1n5a s VAL 248 Ca -0.04 1.79 0.02 0.00 -1.81 0.00 0.00 61.98 61.94 1n5a s VAL 248 Cb -0.00 -4.21 0.01 0.00 0.56 0.00 0.00 36.38 32.73 1n5a s VAL 248 CO -0.04 0.00 -0.07 -0.69 -0.31 0.00 0.00 175.10 174.00 1n5a s VAL 249 N 2.18 0.62 0.02 1.32 1.01 0.66 -4.98 120.40 121.23 1n5a s VAL 249 Ca 0.42 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 1n5a s VAL 249 Cb -0.17 -0.56 -0.09 0.00 0.00 0.00 0.00 36.38 35.56 1n5a s VAL 249 CO 0.14 0.20 1.99 -2.16 0.00 0.00 0.00 175.10 175.26 1n5a s PRO 250 N 0.26 4.08 0.10 2.72 0.04 -1.26 -0.50 135.00 140.44 1n5a s PRO 250 Ca -0.04 2.58 -0.28 0.00 0.04 0.00 0.00 61.00 63.30 1n5a s PRO 250 Cb -0.08 -4.18 -0.16 0.00 0.04 0.00 0.00 34.50 30.13 1n5a s PRO 250 CO 0.00 -1.03 0.65 -0.11 0.04 0.00 0.00 177.00 176.55 1n5a n LEU 251 N 7.80 -0.60 0.00 -3.56 0.00 -1.10 -1.40 117.00 118.15 1n5a n LEU 251 Ca 0.21 0.97 0.00 0.00 0.00 0.00 0.00 56.01 57.19 1n5a n LEU 251 Cb 0.41 -0.79 0.00 0.00 0.00 0.00 0.00 43.42 43.04 1n5a n LEU 251 CO 0.68 -2.13 0.00 0.61 0.00 0.00 0.00 177.39 176.54 1n5a n GLY 252 N 1.51 1.73 2.36 -3.96 0.00 -1.26 -4.79 105.19 100.78 1n5a n GLY 252 Ca 0.16 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1n5a n GLY 252 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n5a n LYS 253 N 0.00 3.41 -0.51 1.61 4.76 -0.50 -4.66 118.16 122.27 1n5a n LYS 253 Ca 0.00 -2.48 0.05 0.00 -2.87 0.00 0.00 58.31 53.01 1n5a n LYS 253 Cb 0.00 -2.44 0.08 0.00 -1.84 0.00 0.00 35.03 30.83 1n5a n LYS 253 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1n5a n GLU 254 N 2.05 0.63 -0.10 1.97 0.28 -1.26 -4.63 120.64 119.58 1n5a n GLU 254 Ca 0.59 -1.96 -0.10 0.00 -0.16 0.00 0.00 57.16 55.53 1n5a n GLU 254 Cb 0.44 -0.91 -0.15 0.00 1.43 0.00 0.00 31.44 32.24 1n5a n GLU 254 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1n5a n GLN 255 N -0.56 0.78 0.00 3.44 1.13 -1.26 -4.11 117.38 116.81 1n5a n GLN 255 Ca 0.09 -0.00 0.04 0.00 -1.94 0.00 0.00 57.00 55.19 1n5a n GLN 255 Cb 0.74 -1.50 0.26 0.00 0.11 0.00 0.00 30.24 29.85 1n5a n GLN 255 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1n5a n ASN 256 N -2.75 0.00 -4.47 1.08 6.94 -1.26 -4.55 115.26 110.25 1n5a n ASN 256 Ca -0.33 -1.22 -0.35 0.00 -0.02 0.00 0.00 54.58 52.67 1n5a n ASN 256 Cb 1.13 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 38.43 1n5a n ASN 256 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1n5a s TYR 257 N -2.00 3.06 0.05 -2.53 1.51 -1.26 -1.39 117.35 114.78 1n5a s TYR 257 Ca 0.13 -0.40 0.09 0.00 -1.01 0.00 0.00 57.07 55.88 1n5a s TYR 257 Cb 0.06 -2.09 -0.03 0.00 -0.11 0.00 0.00 41.96 39.80 1n5a s TYR 257 CO 0.10 -0.20 -0.25 0.95 -1.11 0.00 0.00 175.55 175.04 1n5a s THR 258 N 0.95 2.02 0.06 -0.71 -4.23 -0.40 -4.52 115.64 108.81 1n5a s THR 258 Ca 0.02 -1.35 0.03 0.00 -1.18 0.00 0.00 61.69 59.20 1n5a s THR 258 Cb -0.14 -1.74 -0.04 0.00 1.34 0.00 0.00 72.50 71.92 1n5a s THR 258 CO 0.02 0.32 0.04 0.00 -0.54 0.00 0.00 174.62 174.45 1n5a s ARG 260 N -2.15 1.77 -0.24 0.00 1.81 0.54 -1.00 118.95 119.68 1n5a s ARG 260 Ca 0.26 -0.51 0.02 0.00 -1.72 0.00 0.00 55.73 53.77 1n5a s ARG 260 Cb -0.12 -1.48 0.06 0.00 -0.45 0.00 0.00 34.95 32.96 1n5a s ARG 260 CO 0.18 0.12 -0.08 0.08 -0.68 0.00 0.00 175.30 174.92 1n5a s VAL 261 N 0.38 1.78 -0.31 3.52 1.01 -0.78 -1.43 120.40 124.57 1n5a s VAL 261 Ca -0.10 -1.33 -0.19 0.00 0.00 0.00 0.00 61.98 60.36 1n5a s VAL 261 Cb -0.14 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 1n5a s VAL 261 CO 0.03 -0.02 0.56 -0.31 0.00 0.00 0.00 175.10 175.36 1n5a s TYR 262 N 1.29 3.21 0.13 5.22 1.51 -0.68 -1.27 117.35 126.77 1n5a s TYR 262 Ca -0.06 0.46 -0.13 0.00 -1.01 0.00 0.00 57.07 56.33 1n5a s TYR 262 Cb -0.19 -2.89 0.02 0.00 -0.11 0.00 0.00 41.96 38.79 1n5a s TYR 262 CO -0.06 -0.44 0.35 -1.58 -1.11 0.00 0.00 175.55 172.70 1n5a s HIS 263 N 2.46 0.00 -1.45 2.71 2.46 -1.26 -2.11 115.29 118.10 1n5a s HIS 263 Ca 0.22 -0.36 0.24 0.00 0.47 0.00 0.00 55.06 55.63 1n5a s HIS 263 Cb -0.15 0.14 0.25 0.00 -0.13 0.00 0.00 32.58 32.70 1n5a s HIS 263 CO 0.12 -0.70 1.24 -0.85 -2.47 0.00 0.00 174.74 172.08 1n5a n GLU 264 N -0.20 0.52 -1.09 2.88 0.28 -1.26 -3.48 120.64 118.28 1n5a n GLU 264 Ca -0.13 -0.38 -0.12 0.00 -0.16 0.00 0.00 57.16 56.37 1n5a n GLU 264 Cb 0.63 -1.49 0.16 0.00 1.43 0.00 0.00 31.44 32.17 1n5a n GLU 264 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1n5a n GLY 265 N 1.44 5.23 3.32 -1.84 0.00 -1.26 -4.93 105.19 107.16 1n5a n GLY 265 Ca 0.08 -1.57 -0.36 0.00 0.00 0.00 0.00 46.02 44.17 1n5a n GLY 265 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1n5a s LEU 266 N -3.38 3.21 0.19 0.99 2.96 -1.23 -4.67 118.68 116.75 1n5a s LEU 266 Ca 0.49 -0.48 -0.24 0.00 -0.22 0.00 0.00 54.13 53.67 1n5a s LEU 266 Cb 0.42 -1.79 0.08 0.00 0.50 0.00 0.00 46.19 45.41 1n5a s LEU 266 CO 0.01 -0.07 1.55 -0.65 -1.32 0.00 0.00 176.35 175.87 1n5a h PRO 267 N 8.15 -0.06 -4.05 0.98 0.11 -1.91 -3.43 132.00 131.78 1n5a h PRO 267 Ca -0.38 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.62 1n5a h PRO 267 Cb 1.15 0.01 -0.14 0.00 0.11 0.00 0.00 31.00 32.13 1n5a h PRO 267 CO 0.60 -0.04 -0.49 -1.21 -0.21 0.00 0.00 178.00 176.64 1n5a s GLU 268 N -5.77 0.86 0.49 1.05 2.02 -1.26 -5.14 118.70 110.96 1n5a s GLU 268 Ca -0.13 -1.16 -0.23 0.00 0.02 0.00 0.00 54.97 53.47 1n5a s GLU 268 Cb 0.15 0.30 -0.08 0.00 0.10 0.00 0.00 34.13 34.60 1n5a s GLU 268 CO 0.67 -0.26 1.18 -2.30 0.02 0.00 0.00 175.26 174.57 1n5a n PRO 269 N -0.05 1.55 -2.69 0.39 -0.02 -1.26 -4.92 135.00 128.00 1n5a n PRO 269 Ca -0.11 0.56 -0.33 0.00 -2.02 0.00 0.00 63.50 61.60 1n5a n PRO 269 Cb 0.62 -2.32 -0.05 0.00 -0.02 0.00 0.00 33.50 31.73 1n5a n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1n5a s LEU 270 N -1.97 3.88 -0.09 2.45 1.43 -0.40 -4.84 118.68 119.15 1n5a s LEU 270 Ca 0.67 1.76 -0.01 0.00 -1.03 0.00 0.00 54.13 55.52 1n5a s LEU 270 Cb -0.48 -4.54 0.03 0.00 0.03 0.00 0.00 46.19 41.23 1n5a s LEU 270 CO 0.53 -0.52 -0.03 -0.89 0.23 0.00 0.00 176.35 175.66 1n5a s THR 271 N -2.16 0.66 0.10 5.49 2.01 -1.26 -1.86 115.64 118.61 1n5a s THR 271 Ca 0.63 -0.07 0.04 0.00 0.31 0.00 0.00 61.69 62.61 1n5a s THR 271 Cb -0.11 -0.75 -0.04 0.00 0.01 0.00 0.00 72.50 71.61 1n5a s THR 271 CO 0.17 0.30 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.54 1n5a s LEU 272 N 1.77 2.39 0.00 4.42 1.43 -0.17 -4.95 118.68 123.56 1n5a s LEU 272 Ca 0.03 -0.79 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 1n5a s LEU 272 Cb -0.13 -0.34 0.00 0.00 0.03 0.00 0.00 46.19 45.76 1n5a s LEU 272 CO -0.06 -0.24 0.00 -2.11 0.23 0.00 0.00 176.35 174.18 1n5a n ARG 273 N 0.63 0.35 0.00 1.70 0.00 -1.26 0.94 116.66 119.01 1n5a n ARG 273 Ca -0.16 0.00 0.09 0.00 -0.00 0.00 0.00 57.85 57.78 1n5a n ARG 273 Cb 0.57 0.00 0.56 0.00 -0.00 0.00 0.00 32.46 33.59 1n5a n ARG 273 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.63 179.50