#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n78 s VAL 2 N 0.00 4.95 -0.12 3.17 1.01 -1.26 -4.85 120.40 123.30 1n78 s VAL 2 Ca 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 61.98 62.01 1n78 s VAL 2 Cb 0.00 -3.26 0.02 0.00 0.00 0.00 0.00 36.38 33.14 1n78 s VAL 2 CO 0.00 0.42 -0.09 -0.69 0.00 0.00 0.00 175.10 174.74 1n78 s VAL 3 N 0.64 1.16 0.39 2.92 1.01 -1.26 -0.91 120.40 124.36 1n78 s VAL 3 Ca 0.05 -0.38 0.08 0.00 0.00 0.00 0.00 61.98 61.73 1n78 s VAL 3 Cb -0.13 -1.15 -0.07 0.00 0.00 0.00 0.00 36.38 35.03 1n78 s VAL 3 CO 0.01 0.39 0.04 0.42 0.00 0.00 0.00 175.10 175.96 1n78 s THR 4 N 1.63 2.20 0.13 3.92 -4.23 0.29 -1.78 115.64 117.80 1n78 s THR 4 Ca 0.05 -1.95 -0.16 0.00 -1.18 0.00 0.00 61.69 58.45 1n78 s THR 4 Cb -0.13 -2.92 0.03 0.00 1.34 0.00 0.00 72.50 70.82 1n78 s THR 4 CO -0.09 -0.06 0.40 0.00 -0.54 0.00 0.00 174.62 174.33 1n78 s ARG 5 N -3.75 1.08 -0.13 3.99 1.04 -1.26 -0.40 118.95 119.52 1n78 s ARG 5 Ca 0.36 -0.74 0.02 0.00 -1.04 0.00 0.00 55.73 54.33 1n78 s ARG 5 Cb 0.06 0.46 0.01 0.00 -2.04 0.00 0.00 34.95 33.45 1n78 s ARG 5 CO 0.19 -0.42 -0.19 -1.50 -0.04 0.00 0.00 175.30 173.34 1n78 s ILE 6 N -3.82 1.86 -0.63 4.99 1.10 -0.32 -4.75 121.20 119.63 1n78 s ILE 6 Ca 0.04 -0.85 0.06 0.00 -0.51 0.00 0.00 60.65 59.38 1n78 s ILE 6 Cb 0.02 -1.67 0.24 0.00 0.15 0.00 0.00 42.46 41.20 1n78 s ILE 6 CO -0.11 0.51 0.69 0.00 -2.11 0.00 0.00 174.94 173.92 1n78 n ALA 7 N 4.19 3.86 -1.79 1.50 0.00 -1.26 -1.30 120.51 125.72 1n78 n ALA 7 Ca -0.20 -4.64 -0.35 0.00 0.00 0.00 0.00 53.44 48.26 1n78 n ALA 7 Cb 0.51 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 19.02 1n78 n ALA 7 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1n78 s PRO 8 N -2.22 3.81 -0.22 0.00 0.04 -1.17 -4.51 135.00 130.73 1n78 s PRO 8 Ca 0.37 1.43 -0.09 0.00 0.04 0.00 0.00 61.00 62.76 1n78 s PRO 8 Cb 0.12 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1n78 s PRO 8 CO -0.04 -0.44 0.11 -1.12 0.04 0.00 0.00 177.00 175.55 1n78 s SER 9 N -1.86 5.75 -1.13 6.66 0.01 -1.26 -0.71 113.70 121.17 1n78 s SER 9 Ca 0.66 0.04 -0.21 0.00 1.31 0.00 0.00 55.95 57.75 1n78 s SER 9 Cb -0.19 -2.02 0.05 0.00 0.21 0.00 0.00 66.02 64.08 1n78 s SER 9 CO 0.23 0.08 1.58 -2.84 0.41 0.00 0.00 173.24 172.70 1n78 s PRO 10 N 0.93 3.71 -0.01 12.44 0.02 -1.26 -4.59 135.00 146.23 1n78 s PRO 10 Ca 0.06 -1.45 0.01 0.00 0.02 0.00 0.00 61.00 59.64 1n78 s PRO 10 Cb -0.13 -5.42 0.02 0.00 0.02 0.00 0.00 34.50 28.98 1n78 s PRO 10 CO 0.03 -2.28 0.84 0.25 -0.33 0.00 0.00 177.00 175.50 1n78 n THR 11 N 6.73 0.67 -1.31 0.99 -2.24 -1.26 -0.74 114.28 117.11 1n78 n THR 11 Ca 0.40 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1n78 n THR 11 Cb 0.49 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 1n78 n THR 11 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n78 n GLY 12 N -0.37 -0.62 3.74 3.38 0.00 -1.26 -4.80 105.19 105.27 1n78 n GLY 12 Ca 0.01 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 1n78 n GLY 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1n78 s ASP 13 N -4.00 4.91 -0.06 1.61 1.01 -1.26 -4.72 116.67 114.17 1n78 s ASP 13 Ca 0.00 2.44 -0.30 0.00 0.71 0.00 0.00 52.55 55.41 1n78 s ASP 13 Cb 0.00 -2.60 -0.06 0.00 1.01 0.00 0.00 42.92 41.26 1n78 s ASP 13 CO 0.00 -1.78 1.84 -2.16 0.21 0.00 0.00 175.17 173.27 1n78 s PRO 14 N -3.42 3.99 0.13 8.23 0.04 -1.26 -4.91 135.00 137.78 1n78 s PRO 14 Ca 0.78 2.26 -0.28 0.00 0.04 0.00 0.00 61.00 63.81 1n78 s PRO 14 Cb -0.32 -4.11 -0.07 0.00 0.04 0.00 0.00 34.50 30.04 1n78 s PRO 14 CO 0.36 -1.10 0.88 -1.58 0.04 0.00 0.00 177.00 175.60 1n78 s HIS 15 N 4.87 3.84 0.49 0.56 2.46 -1.26 -0.88 115.29 125.37 1n78 s HIS 15 Ca 0.82 1.71 0.16 0.00 0.47 0.00 0.00 55.06 58.22 1n78 s HIS 15 Cb -0.36 -2.93 1.19 0.00 -0.13 0.00 0.00 32.58 30.35 1n78 s HIS 15 CO 0.35 0.32 2.09 -0.24 -2.47 0.00 0.00 174.74 174.78 1n78 h VAL 16 N 3.78 0.96 -0.53 0.89 3.04 -1.18 -0.77 116.25 122.43 1n78 h VAL 16 Ca -0.44 -0.05 -0.08 0.00 -1.01 0.00 0.00 66.70 65.12 1n78 h VAL 16 Cb 1.21 0.79 -0.02 0.00 -2.01 0.00 0.00 31.29 31.26 1n78 h VAL 16 CO 0.70 0.03 0.01 1.23 -1.01 0.00 0.00 177.57 178.53 1n78 h GLY 17 N 0.15 0.97 0.97 3.17 0.00 -1.93 -0.76 103.07 105.65 1n78 h GLY 17 Ca 0.11 -0.67 -0.08 0.00 0.00 0.00 0.00 47.33 46.69 1n78 h GLY 17 CO -0.02 0.62 -0.06 -0.84 0.00 0.00 0.00 176.54 176.24 1n78 h THR 18 N 0.84 1.27 -0.90 4.70 2.02 -1.56 -2.04 112.91 117.23 1n78 h THR 18 Ca 0.16 -1.13 0.05 0.00 0.77 0.00 0.00 66.41 66.26 1n78 h THR 18 Cb 0.48 1.18 -0.06 0.00 -1.74 0.00 0.00 68.15 68.02 1n78 h THR 18 CO 0.02 0.38 0.57 0.00 0.37 0.00 0.00 175.52 176.87 1n78 h ALA 19 N 0.86 1.23 -0.04 6.16 0.00 -1.12 0.82 119.26 127.16 1n78 h ALA 19 Ca 0.11 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1n78 h ALA 19 Cb 0.57 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1n78 h ALA 19 CO 0.03 0.37 0.02 -0.92 0.00 0.00 0.00 179.25 178.75 1n78 h TYR 20 N 1.07 0.05 -0.50 0.00 3.20 -0.81 -1.25 116.97 118.74 1n78 h TYR 20 Ca 0.38 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 62.14 1n78 h TYR 20 Cb 0.11 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 1n78 h TYR 20 CO -0.02 0.14 -0.11 0.82 -1.64 0.00 0.00 178.16 177.34 1n78 h ILE 21 N -0.05 1.27 -0.37 1.81 5.03 -1.05 -2.98 117.51 121.17 1n78 h ILE 21 Ca 0.01 -1.24 0.06 0.00 -0.12 0.00 0.00 64.86 63.56 1n78 h ILE 21 Cb 0.10 1.00 -0.05 0.00 -3.03 0.00 0.00 36.82 34.84 1n78 h ILE 21 CO -0.00 0.43 0.08 0.00 -0.68 0.00 0.00 178.15 177.98 1n78 h ALA 22 N 1.02 0.40 -0.58 1.87 0.00 -0.68 -1.86 119.26 119.44 1n78 h ALA 22 Ca 0.13 0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.23 1n78 h ALA 22 Cb 0.65 0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.43 1n78 h ALA 22 CO 0.05 -0.32 -0.09 1.25 0.00 0.00 0.00 179.25 180.14 1n78 h LEU 23 N 0.21 -0.43 -0.62 0.00 5.85 -1.07 0.15 115.31 119.40 1n78 h LEU 23 Ca 0.18 0.16 -0.13 0.00 0.84 0.00 0.00 57.88 58.93 1n78 h LEU 23 Cb 0.20 0.32 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1n78 h LEU 23 CO -0.23 -0.16 -0.62 -0.26 -0.34 0.00 0.00 178.44 176.83 1n78 h PHE 24 N 0.04 0.00 -0.34 1.25 -1.00 -1.43 -1.92 116.94 113.55 1n78 h PHE 24 Ca 0.29 0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.90 1n78 h PHE 24 Cb 0.45 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.01 1n78 h PHE 24 CO -0.43 0.62 -0.44 -0.91 -1.61 0.00 0.00 178.31 175.55 1n78 h ASN 25 N 0.00 0.97 -0.53 2.17 4.21 -0.41 -1.34 115.58 120.65 1n78 h ASN 25 Ca -0.01 -0.49 -0.03 0.00 1.21 0.00 0.00 56.30 56.98 1n78 h ASN 25 Cb 1.19 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 38.09 1n78 h ASN 25 CO 0.08 1.27 0.21 0.22 -1.29 0.00 0.00 177.43 177.93 1n78 h TYR 26 N 0.70 0.81 -0.17 1.19 5.03 -0.71 -1.95 116.97 121.86 1n78 h TYR 26 Ca 0.04 -0.06 -0.02 0.00 2.58 0.00 0.00 58.73 61.27 1n78 h TYR 26 Cb 1.04 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 39.07 1n78 h TYR 26 CO 0.07 0.66 0.02 0.00 -1.32 0.00 0.00 178.16 177.59 1n78 h ALA 27 N 1.06 0.23 -0.74 1.82 0.00 -1.24 -1.89 119.26 118.49 1n78 h ALA 27 Ca 0.18 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1n78 h ALA 27 Cb 0.20 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1n78 h ALA 27 CO -0.01 -0.10 0.31 2.35 0.00 0.00 0.00 179.25 181.80 1n78 h TRP 28 N 0.07 1.10 0.77 0.00 -0.00 -1.18 -0.29 115.95 116.42 1n78 h TRP 28 Ca 0.05 -0.07 -0.04 0.00 -0.00 0.00 0.00 58.89 58.84 1n78 h TRP 28 Cb 0.32 -0.33 0.01 0.00 -0.00 0.00 0.00 29.16 29.16 1n78 h TRP 28 CO 0.02 0.82 -0.37 0.00 -0.00 0.00 0.00 178.44 178.92 1n78 h ALA 29 N 1.27 -1.03 -0.87 2.65 0.00 -1.29 -2.79 119.26 117.20 1n78 h ALA 29 Ca 0.25 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 55.03 1n78 h ALA 29 Cb 0.18 0.40 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 1n78 h ALA 29 CO -0.02 -0.96 0.51 0.00 0.00 0.00 0.00 179.25 178.78 1n78 h ARG 30 N -1.27 0.83 -0.03 0.00 2.47 -1.29 0.17 114.38 115.26 1n78 h ARG 30 Ca -0.11 -0.05 0.01 0.00 -1.26 0.00 0.00 59.98 58.57 1n78 h ARG 30 Cb 0.79 -0.19 -0.00 0.00 -1.65 0.00 0.00 29.97 28.92 1n78 h ARG 30 CO 0.17 0.55 0.02 -0.09 0.56 0.00 0.00 179.97 181.18 1n78 h ARG 31 N 0.85 0.00 -0.53 0.04 9.65 -1.06 -1.70 114.38 121.63 1n78 h ARG 31 Ca 0.42 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.30 1n78 h ARG 31 Cb 0.37 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.95 1n78 h ARG 31 CO -0.24 0.00 0.00 0.09 2.80 0.00 0.00 179.97 182.62 1n78 n ASN 32 N -4.38 3.56 -3.57 -3.80 4.13 -0.12 -4.95 115.26 106.12 1n78 n ASN 32 Ca -0.02 -2.08 -0.23 0.00 1.68 0.00 0.00 54.58 53.93 1n78 n ASN 32 Cb 0.12 -0.38 0.08 0.00 -1.54 0.00 0.00 39.78 38.06 1n78 n ASN 32 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1n78 n GLY 33 N 0.99 -0.52 0.00 7.41 0.00 -0.53 -4.69 105.19 107.85 1n78 n GLY 33 Ca 0.19 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1n78 n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n78 n GLY 34 N -1.87 3.70 3.18 -0.02 0.00 0.41 -4.79 105.19 105.80 1n78 n GLY 34 Ca -0.04 -1.95 -0.28 0.00 0.00 0.00 0.00 46.02 43.75 1n78 n GLY 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n78 s ARG 35 N 2.70 2.01 -0.31 1.61 0.52 -0.08 -4.66 118.95 120.74 1n78 s ARG 35 Ca 0.00 -0.71 -0.07 0.00 -0.52 0.00 0.00 55.73 54.43 1n78 s ARG 35 Cb 0.00 -1.74 0.02 0.00 0.52 0.00 0.00 34.95 33.75 1n78 s ARG 35 CO 0.00 0.30 0.09 0.12 0.02 0.00 0.00 175.30 175.83 1n78 s PHE 36 N -0.07 3.18 0.12 -0.53 5.99 -1.26 -0.55 117.98 124.87 1n78 s PHE 36 Ca -0.03 -1.14 0.03 0.00 0.00 0.00 0.00 56.93 55.80 1n78 s PHE 36 Cb -0.12 -2.26 -0.04 0.00 0.00 0.00 0.00 43.02 40.60 1n78 s PHE 36 CO 0.02 -0.63 0.16 0.42 -0.00 0.00 0.00 175.22 175.19 1n78 s ILE 37 N 1.46 4.79 -0.17 3.12 1.01 0.46 0.27 121.20 132.14 1n78 s ILE 37 Ca 0.01 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.85 1n78 s ILE 37 Cb -0.18 -3.40 0.01 0.00 0.01 0.00 0.00 42.46 38.91 1n78 s ILE 37 CO 0.02 -0.01 -0.18 -0.69 0.00 0.00 0.00 174.94 174.08 1n78 s VAL 38 N -1.62 2.27 -0.12 2.92 1.01 -0.64 -1.18 120.40 123.04 1n78 s VAL 38 Ca 0.32 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.44 1n78 s VAL 38 Cb -0.11 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.33 1n78 s VAL 38 CO 0.25 0.53 -0.20 -0.60 0.00 0.00 0.00 175.10 175.07 1n78 s ARG 39 N 1.15 2.74 -0.22 2.72 3.52 -0.42 -4.26 118.95 124.19 1n78 s ARG 39 Ca 0.01 -0.76 -0.23 0.00 -0.13 0.00 0.00 55.73 54.63 1n78 s ARG 39 Cb -0.14 -2.21 -0.02 0.00 -1.56 0.00 0.00 34.95 31.03 1n78 s ARG 39 CO -0.08 0.02 0.72 0.42 -0.81 0.00 0.00 175.30 175.57 1n78 s ILE 40 N 0.75 4.93 -0.99 4.11 -1.09 0.05 -3.05 121.20 125.92 1n78 s ILE 40 Ca -0.10 1.36 -0.08 0.00 -2.23 0.00 0.00 60.65 59.61 1n78 s ILE 40 Cb -0.16 -4.03 0.25 0.00 -1.58 0.00 0.00 42.46 36.94 1n78 s ILE 40 CO 0.01 0.02 0.94 -1.61 -1.23 0.00 0.00 174.94 173.06 1n78 s GLU 41 N 2.40 3.78 -0.63 2.79 2.02 0.12 -1.54 118.70 127.63 1n78 s GLU 41 Ca 0.31 -3.08 0.01 0.00 0.02 0.00 0.00 54.97 52.23 1n78 s GLU 41 Cb -0.16 -4.33 0.41 0.00 0.10 0.00 0.00 34.13 30.15 1n78 s GLU 41 CO 0.09 -1.25 1.72 -0.40 0.02 0.00 0.00 175.26 175.44 1n78 n ASP 42 N 2.84 6.63 -0.02 -0.19 3.85 -1.26 -4.25 116.55 124.15 1n78 n ASP 42 Ca 0.21 -3.79 0.14 0.00 -0.71 0.00 0.00 54.79 50.64 1n78 n ASP 42 Cb 0.40 -0.81 0.66 0.00 -1.35 0.00 0.00 41.12 40.02 1n78 n ASP 42 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1n78 n THR 43 N -0.67 0.00 -3.60 2.12 -2.24 -1.26 -4.46 114.28 104.17 1n78 n THR 43 Ca 0.52 -0.01 -0.40 0.00 -2.27 0.00 0.00 64.05 61.90 1n78 n THR 43 Cb 0.56 -0.40 -0.08 0.00 -2.10 0.00 0.00 70.33 68.32 1n78 n THR 43 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1n78 s ASP 44 N -2.73 5.70 0.53 3.42 2.15 -1.26 -4.80 116.67 119.69 1n78 s ASP 44 Ca 0.23 -2.66 0.28 0.00 0.43 0.00 0.00 52.55 50.83 1n78 s ASP 44 Cb 0.20 -1.97 1.43 0.00 -0.30 0.00 0.00 42.92 42.28 1n78 s ASP 44 CO 0.50 -0.47 1.94 0.03 -0.17 0.00 0.00 175.17 177.00 1n78 h ARG 45 N 7.45 0.01 0.45 4.34 3.08 -1.96 -0.93 114.38 126.83 1n78 h ARG 45 Ca -0.01 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1n78 h ARG 45 Cb 0.99 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.05 1n78 h ARG 45 CO 0.74 0.01 -0.22 0.00 -1.07 0.00 0.00 179.97 179.43 1n78 h ALA 46 N 1.65 -0.61 -0.01 0.04 0.00 -1.98 -3.23 119.26 115.12 1n78 h ALA 46 Ca 0.34 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1n78 h ALA 46 Cb 1.34 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1n78 h ALA 46 CO -0.01 -0.73 -0.00 0.54 0.00 0.00 0.00 179.25 179.05 1n78 n ARG 47 N -5.26 1.65 -1.77 0.00 1.74 -1.06 -4.93 116.66 107.03 1n78 n ARG 47 Ca -0.11 -0.95 -0.42 0.00 -0.77 0.00 0.00 57.85 55.60 1n78 n ARG 47 Cb 0.30 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.23 1n78 n ARG 47 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1n78 s TYR 48 N -2.00 2.89 -0.24 -1.55 6.14 -0.38 -4.45 117.35 117.76 1n78 s TYR 48 Ca 0.38 0.48 0.01 0.00 0.64 0.00 0.00 57.07 58.58 1n78 s TYR 48 Cb 0.21 -4.09 0.06 0.00 0.42 0.00 0.00 41.96 38.56 1n78 s TYR 48 CO 0.34 -4.03 -0.03 0.08 0.64 0.00 0.00 175.55 172.54 1n78 s VAL 49 N 0.89 1.46 0.32 3.14 1.01 0.08 -4.98 120.40 122.32 1n78 s VAL 49 Ca 0.71 -1.23 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 1n78 s VAL 49 Cb -0.48 -1.77 -0.11 0.00 0.00 0.00 0.00 36.38 34.02 1n78 s VAL 49 CO 0.36 -0.16 1.43 -2.16 0.00 0.00 0.00 175.10 174.56 1n78 s PRO 50 N 1.42 4.23 0.00 2.72 0.04 -1.26 -2.43 135.00 139.72 1n78 s PRO 50 Ca -0.04 2.39 0.00 0.00 0.04 0.00 0.00 61.00 63.39 1n78 s PRO 50 Cb -0.19 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.31 1n78 s PRO 50 CO -0.07 -0.40 0.00 0.41 0.04 0.00 0.00 177.00 176.98 1n78 n GLY 51 N 1.16 3.37 0.24 0.56 0.00 -1.26 -4.84 105.19 104.43 1n78 n GLY 51 Ca 0.03 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.13 1n78 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n78 h ALA 52 N 0.00 1.49 0.37 4.61 0.00 -1.76 -2.16 119.26 121.81 1n78 h ALA 52 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1n78 h ALA 52 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1n78 h ALA 52 CO 0.00 0.20 -0.18 1.49 0.00 0.00 0.00 179.25 180.77 1n78 h GLU 53 N 0.00 -0.48 -0.72 0.00 4.81 -1.88 -1.42 114.58 114.89 1n78 h GLU 53 Ca -0.00 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.32 1n78 h GLU 53 Cb 0.34 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 1n78 h GLU 53 CO 0.02 -0.23 0.48 1.05 -0.73 0.00 0.00 179.01 179.60 1n78 h GLU 54 N -0.66 0.74 -0.38 1.92 4.11 -1.85 -1.76 114.58 116.70 1n78 h GLU 54 Ca -0.05 -0.04 -0.11 0.00 0.07 0.00 0.00 59.36 59.23 1n78 h GLU 54 Cb 0.47 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1n78 h GLU 54 CO 0.08 0.49 -0.18 0.00 0.07 0.00 0.00 179.01 179.47 1n78 h ARG 55 N 0.76 0.79 -0.21 1.06 3.08 -1.20 -1.77 114.38 116.89 1n78 h ARG 55 Ca 0.31 -0.35 -0.15 0.00 0.07 0.00 0.00 59.98 59.86 1n78 h ARG 55 Cb 0.24 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1n78 h ARG 55 CO -0.10 0.97 -0.49 0.97 -1.07 0.00 0.00 179.97 180.25 1n78 h ILE 56 N 0.58 1.31 -0.59 2.04 6.09 -0.84 -0.45 117.51 125.65 1n78 h ILE 56 Ca 0.08 -1.70 -0.09 0.00 -1.37 0.00 0.00 64.86 61.78 1n78 h ILE 56 Cb 0.73 1.68 -0.02 0.00 0.47 0.00 0.00 36.82 39.68 1n78 h ILE 56 CO 0.06 0.53 0.03 -0.07 -3.07 0.00 0.00 178.15 175.63 1n78 h LEU 57 N 0.45 1.00 -0.58 2.19 3.38 -1.29 -1.22 115.31 119.25 1n78 h LEU 57 Ca 0.02 -0.29 -0.12 0.00 0.09 0.00 0.00 57.88 57.58 1n78 h LEU 57 Cb 1.02 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1n78 h LEU 57 CO 0.09 1.04 -0.21 0.00 0.09 0.00 0.00 178.44 179.46 1n78 h ALA 58 N 0.99 0.77 -0.32 1.53 0.00 -1.22 -2.24 119.26 118.76 1n78 h ALA 58 Ca 0.17 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1n78 h ALA 58 Cb 0.51 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1n78 h ALA 58 CO 0.02 0.66 0.10 0.00 0.00 0.00 0.00 179.25 180.03 1n78 h ALA 59 N 0.96 0.43 -0.89 0.00 0.00 -0.84 0.19 119.26 119.10 1n78 h ALA 59 Ca 0.11 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1n78 h ALA 59 Cb 0.76 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1n78 h ALA 59 CO 0.06 0.07 0.50 -0.07 0.00 0.00 0.00 179.25 179.81 1n78 h LEU 60 N 0.37 1.11 -0.59 0.00 3.38 -1.17 -0.58 115.31 117.83 1n78 h LEU 60 Ca 0.10 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 1n78 h LEU 60 Cb 0.26 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1n78 h LEU 60 CO -0.00 0.88 -0.41 0.11 0.09 0.00 0.00 178.44 179.11 1n78 h LYS 61 N 1.25 0.67 -0.49 1.13 1.57 -1.18 -2.07 116.57 117.45 1n78 h LYS 61 Ca 0.32 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1n78 h LYS 61 Cb 0.01 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1n78 h LYS 61 CO -0.05 0.95 0.24 2.35 -0.57 0.00 0.00 179.45 182.38 1n78 h TRP 62 N 0.55 0.67 0.00 -1.35 7.01 0.28 -1.50 115.95 121.61 1n78 h TRP 62 Ca 0.04 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.03 1n78 h TRP 62 Cb 0.94 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 27.78 1n78 h TRP 62 CO 0.04 0.49 0.00 1.28 -2.79 0.00 0.00 178.44 177.46 1n78 n LEU 63 N -4.39 0.26 0.00 0.65 4.77 -0.31 -4.76 117.00 113.22 1n78 n LEU 63 Ca 0.04 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 1n78 n LEU 63 Cb 0.12 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 1n78 n LEU 63 CO 0.37 -0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 1n78 n GLY 64 N 0.48 0.82 3.90 -0.72 0.00 -0.56 -4.66 105.19 104.43 1n78 n GLY 64 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 1n78 n GLY 64 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n78 s LEU 65 N 0.00 3.33 0.05 0.99 1.43 -0.80 -5.01 118.68 118.66 1n78 s LEU 65 Ca 0.00 1.03 0.01 0.00 -1.03 0.00 0.00 54.13 54.14 1n78 s LEU 65 Cb 0.00 -3.96 -0.03 0.00 0.03 0.00 0.00 46.19 42.23 1n78 s LEU 65 CO 0.00 -0.88 -0.05 -0.44 0.23 0.00 0.00 176.35 175.21 1n78 s SER 66 N -4.21 0.63 0.10 2.29 0.01 -1.26 -4.28 113.70 106.99 1n78 s SER 66 Ca 0.52 -0.71 0.03 0.00 1.31 0.00 0.00 55.95 57.11 1n78 s SER 66 Cb -0.11 0.10 -0.04 0.00 0.21 0.00 0.00 66.02 66.19 1n78 s SER 66 CO 0.48 -0.36 -0.09 -0.72 0.41 0.00 0.00 173.24 172.96 1n78 s TYR 67 N -2.32 1.04 -0.13 2.43 1.13 -1.26 -4.96 117.35 113.28 1n78 s TYR 67 Ca -0.05 -0.73 0.19 0.00 -1.41 0.00 0.00 57.07 55.08 1n78 s TYR 67 Cb -0.04 -0.57 -0.20 0.00 -1.10 0.00 0.00 41.96 40.05 1n78 s TYR 67 CO -0.03 -0.02 0.59 -0.25 -2.51 0.00 0.00 175.55 173.33 1n78 n ASP 68 N 0.31 0.44 -4.01 -0.18 10.43 0.14 -4.93 116.55 118.75 1n78 n ASP 68 Ca -0.14 0.19 -0.11 0.00 2.57 0.00 0.00 54.79 57.30 1n78 n ASP 68 Cb 0.59 0.88 -0.11 0.00 1.84 0.00 0.00 41.12 44.31 1n78 n ASP 68 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1n78 s GLU 69 N -3.05 0.39 0.00 -1.24 2.02 -1.22 -4.90 118.70 110.70 1n78 s GLU 69 Ca -0.06 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 54.30 1n78 s GLU 69 Cb 0.10 -0.07 0.00 0.00 0.10 0.00 0.00 34.13 34.26 1n78 s GLU 69 CO 0.84 -0.00 0.00 0.41 0.02 0.00 0.00 175.26 176.53 1n78 n GLY 70 N 1.65 -0.12 0.37 -1.39 0.00 -0.79 -1.62 105.19 103.29 1n78 n GLY 70 Ca -0.23 -0.93 -0.14 0.00 0.00 0.00 0.00 46.02 44.72 1n78 n GLY 70 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1n78 h PRO 71 N 0.00 -0.57 -0.05 1.61 0.11 -1.82 0.34 132.00 131.63 1n78 h PRO 71 Ca 0.00 0.04 -0.21 0.00 0.11 0.00 0.00 66.00 65.94 1n78 h PRO 71 Cb 0.00 0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1n78 h PRO 71 CO 0.00 -0.38 -0.84 0.38 -0.21 0.00 0.00 178.00 176.95 1n78 h ASP 72 N -0.59 0.57 0.73 -2.05 2.03 -1.96 -3.27 116.42 111.88 1n78 h ASP 72 Ca 0.03 -0.41 0.00 0.00 -0.73 0.00 0.00 57.03 55.92 1n78 h ASP 72 Cb 0.62 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 38.95 1n78 h ASP 72 CO -0.21 1.18 -0.35 0.52 -1.03 0.00 0.00 179.24 179.36 1n78 n VAL 73 N -3.81 0.07 -3.51 4.15 0.31 -1.19 -5.06 118.33 109.29 1n78 n VAL 73 Ca -0.06 -0.05 0.01 0.00 -0.01 0.00 0.00 64.34 64.24 1n78 n VAL 73 Cb 0.77 -0.05 -0.00 0.00 -0.91 0.00 0.00 33.84 33.65 1n78 n VAL 73 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1n78 n GLY 74 N 1.47 -1.84 0.00 2.92 0.00 0.12 -4.77 105.19 103.09 1n78 n GLY 74 Ca 0.06 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1n78 n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n78 n GLY 75 N -0.41 1.63 0.23 -0.02 0.00 -1.26 -1.88 105.19 103.48 1n78 n GLY 75 Ca 0.00 -1.04 0.16 0.00 0.00 0.00 0.00 46.02 45.13 1n78 n GLY 75 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1n78 h PRO 76 N 0.00 0.00 -0.84 1.61 0.11 -1.97 -3.31 132.00 127.60 1n78 h PRO 76 Ca 0.00 0.00 -0.44 0.00 0.11 0.00 0.00 66.00 65.67 1n78 h PRO 76 Cb 0.00 0.00 -0.42 0.00 0.11 0.00 0.00 31.00 30.69 1n78 h PRO 76 CO 0.00 0.00 -0.94 0.72 -0.21 0.00 0.00 178.00 177.57 1n78 n HIS 77 N -2.84 2.24 -1.92 0.65 8.25 -1.26 -5.08 115.22 115.27 1n78 n HIS 77 Ca 0.01 -2.44 -0.19 0.00 -0.26 0.00 0.00 57.72 54.83 1n78 n HIS 77 Cb 0.28 -0.27 0.13 0.00 1.12 0.00 0.00 29.99 31.25 1n78 n HIS 77 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n78 n GLY 78 N -0.55 -0.75 3.70 -1.41 0.00 -1.25 -4.73 105.19 100.20 1n78 n GLY 78 Ca 0.28 -1.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.18 1n78 n GLY 78 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1n78 s PRO 79 N -4.82 1.43 -0.18 1.61 0.02 -1.26 -5.09 135.00 126.71 1n78 s PRO 79 Ca 0.51 1.58 0.16 0.00 0.02 0.00 0.00 61.00 63.27 1n78 s PRO 79 Cb -0.02 -1.77 0.66 0.00 0.02 0.00 0.00 34.50 33.39 1n78 s PRO 79 CO 0.35 -2.33 1.57 0.66 -0.33 0.00 0.00 177.00 176.93 1n78 n TYR 80 N -3.76 1.44 -4.33 6.54 4.02 -1.26 -4.85 117.16 114.95 1n78 n TYR 80 Ca 0.12 -0.76 -0.30 0.00 -0.01 0.00 0.00 57.90 56.96 1n78 n TYR 80 Cb 0.52 -0.36 -0.17 0.00 -0.02 0.00 0.00 39.34 39.31 1n78 n TYR 80 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1n78 s ARG 81 N -2.54 2.42 0.54 -0.72 0.52 -1.26 -0.77 118.95 117.15 1n78 s ARG 81 Ca 0.47 -0.62 0.23 0.00 -0.52 0.00 0.00 55.73 55.29 1n78 s ARG 81 Cb 0.35 -2.09 1.51 0.00 0.52 0.00 0.00 34.95 35.24 1n78 s ARG 81 CO 0.14 -0.12 2.18 1.96 0.02 0.00 0.00 175.30 179.48 1n78 h GLN 82 N 7.64 0.00 0.00 3.54 4.20 -1.61 -0.32 115.11 128.56 1n78 h GLN 82 Ca -0.34 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.33 1n78 h GLN 82 Cb 1.16 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.94 1n78 h GLN 82 CO 0.52 0.03 -0.17 0.66 -0.67 0.00 0.00 178.83 179.20 1n78 h SER 83 N 0.00 0.00 0.09 1.46 4.64 -1.83 -1.91 113.55 116.00 1n78 h SER 83 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n78 h SER 83 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1n78 h SER 83 CO 0.00 0.17 -0.04 -0.62 -0.87 0.00 0.00 176.83 175.48 1n78 n GLU 84 N -3.73 1.19 -0.77 4.77 1.02 -0.13 -4.05 120.64 118.94 1n78 n GLU 84 Ca -0.02 -0.46 0.06 0.00 -0.02 0.00 0.00 57.16 56.72 1n78 n GLU 84 Cb 0.28 -1.49 0.13 0.00 -0.02 0.00 0.00 31.44 30.34 1n78 n GLU 84 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1n78 n ARG 85 N -0.50 0.98 -0.21 3.49 1.85 -0.72 -4.87 116.66 116.68 1n78 n ARG 85 Ca 0.19 -2.66 0.02 0.00 -1.00 0.00 0.00 57.85 54.40 1n78 n ARG 85 Cb 0.26 -1.07 0.11 0.00 -1.05 0.00 0.00 32.46 30.71 1n78 n ARG 85 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 1n78 h LEU 86 N 0.78 -0.14 -1.06 2.89 4.07 -1.70 -1.45 115.31 118.69 1n78 h LEU 86 Ca -0.06 0.14 0.15 0.00 0.08 0.00 0.00 57.88 58.18 1n78 h LEU 86 Cb 1.28 0.22 -0.09 0.00 1.08 0.00 0.00 40.66 43.15 1n78 h LEU 86 CO 0.03 -0.06 0.62 -0.65 -1.08 0.00 0.00 178.44 177.29 1n78 h PRO 87 N 0.18 0.84 -0.47 1.13 0.11 -1.92 -1.20 132.00 130.67 1n78 h PRO 87 Ca 0.33 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.41 1n78 h PRO 87 Cb 0.53 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.42 1n78 h PRO 87 CO -0.48 0.55 0.28 1.25 -0.21 0.00 0.00 178.00 179.39 1n78 h LEU 88 N 0.86 0.46 -1.04 2.35 5.85 -1.66 0.21 115.31 122.34 1n78 h LEU 88 Ca 0.52 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 59.18 1n78 h LEU 88 Cb 0.68 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 1n78 h LEU 88 CO -0.29 0.33 -0.03 1.88 -0.34 0.00 0.00 178.44 179.99 1n78 h TYR 89 N 0.57 0.70 -0.15 1.25 0.05 -1.16 -1.93 116.97 116.30 1n78 h TYR 89 Ca 0.19 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 1n78 h TYR 89 Cb 0.01 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.55 1n78 h TYR 89 CO -0.07 0.68 0.07 1.96 -1.05 0.00 0.00 178.16 179.75 1n78 h GLN 90 N 0.62 0.21 0.18 4.88 4.20 -0.50 0.10 115.11 124.81 1n78 h GLN 90 Ca 0.12 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.81 1n78 h GLN 90 Cb 0.43 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 1n78 h GLN 90 CO 0.02 0.26 -0.33 -0.22 -0.67 0.00 0.00 178.83 177.89 1n78 h LYS 91 N 0.11 -0.57 0.00 1.46 3.64 -0.64 -0.93 116.57 119.64 1n78 h LYS 91 Ca 0.05 0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1n78 h LYS 91 Cb 0.12 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1n78 h LYS 91 CO -0.01 -0.38 -0.17 1.88 -2.27 0.00 0.00 179.45 178.50 1n78 h TYR 92 N -0.60 0.00 0.12 1.91 -1.99 -1.28 -0.82 116.97 114.32 1n78 h TYR 92 Ca 0.01 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 1n78 h TYR 92 Cb 0.60 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.33 1n78 h TYR 92 CO -0.26 0.17 -0.06 0.00 -0.00 0.00 0.00 178.16 178.01 1n78 h ALA 93 N 1.83 -0.17 -0.06 3.88 0.00 -0.25 -2.04 119.26 122.45 1n78 h ALA 93 Ca -0.00 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.72 1n78 h ALA 93 Cb 0.38 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1n78 h ALA 93 CO 0.02 -0.38 0.05 0.93 0.00 0.00 0.00 179.25 179.87 1n78 h GLU 94 N -0.59 0.00 0.28 0.00 5.08 -0.90 -1.66 114.58 116.79 1n78 h GLU 94 Ca -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1n78 h GLU 94 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1n78 h GLU 94 CO 0.03 0.00 -0.14 1.49 -1.00 0.00 0.00 179.01 179.39 1n78 h GLU 95 N 0.00 -0.37 -0.77 2.33 4.57 -0.82 -1.45 114.58 118.07 1n78 h GLU 95 Ca 0.03 0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.29 1n78 h GLU 95 Cb 0.13 0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.76 1n78 h GLU 95 CO -0.00 -0.17 0.51 -0.07 -1.18 0.00 0.00 179.01 178.10 1n78 h LEU 96 N -0.49 0.77 -0.30 1.64 3.38 -0.61 0.49 115.31 120.18 1n78 h LEU 96 Ca -0.04 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1n78 h LEU 96 Cb 0.37 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1n78 h LEU 96 CO 0.06 0.51 0.15 0.25 0.09 0.00 0.00 178.44 179.51 1n78 h LEU 97 N 0.88 0.23 -1.04 1.67 5.85 -1.10 0.24 115.31 122.04 1n78 h LEU 97 Ca 0.32 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.95 1n78 h LEU 97 Cb 0.15 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1n78 h LEU 97 CO -0.10 0.18 -0.45 0.11 -0.34 0.00 0.00 178.44 177.84 1n78 h LYS 98 N 0.32 0.07 -0.14 1.25 6.56 -0.14 -1.92 116.57 122.56 1n78 h LYS 98 Ca 0.12 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.68 1n78 h LYS 98 Cb 0.03 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.69 1n78 h LYS 98 CO -0.08 0.50 0.00 0.54 -2.06 0.00 0.00 179.45 178.35 1n78 n ARG 99 N -4.00 1.42 -1.31 3.15 1.74 0.04 -4.88 116.66 112.81 1n78 n ARG 99 Ca -0.02 -0.64 -0.11 0.00 -0.77 0.00 0.00 57.85 56.31 1n78 n ARG 99 Cb 0.48 -1.25 -0.05 0.00 -1.02 0.00 0.00 32.46 30.63 1n78 n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n78 n GLY 100 N 0.89 1.12 0.97 -0.13 0.00 -0.33 -4.86 105.19 102.85 1n78 n GLY 100 Ca 0.11 -0.17 0.10 0.00 0.00 0.00 0.00 46.02 46.06 1n78 n GLY 100 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1n78 n TRP 101 N -2.43 0.57 -3.59 1.61 7.02 0.71 -4.90 117.44 116.42 1n78 n TRP 101 Ca -0.11 -0.28 -0.13 0.00 -1.02 0.00 0.00 57.50 55.96 1n78 n TRP 101 Cb 0.48 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.32 1n78 n TRP 101 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1n78 s ALA 102 N -1.43 -1.22 0.06 6.99 0.00 -1.15 -0.68 121.76 124.32 1n78 s ALA 102 Ca 0.37 0.46 -0.01 0.00 0.00 0.00 0.00 51.96 52.78 1n78 s ALA 102 Cb 0.20 0.43 -0.04 0.00 0.00 0.00 0.00 23.12 23.71 1n78 s ALA 102 CO 0.27 -0.52 -0.03 1.52 0.00 0.00 0.00 175.76 177.00 1n78 s TYR 103 N -2.65 0.58 -0.19 0.00 -0.85 -0.82 -4.38 117.35 109.04 1n78 s TYR 103 Ca -0.04 -1.05 -0.14 0.00 -0.52 0.00 0.00 57.07 55.32 1n78 s TYR 103 Cb -0.00 -0.41 -0.04 0.00 0.38 0.00 0.00 41.96 41.88 1n78 s TYR 103 CO -0.03 -0.35 0.32 1.03 -1.52 0.00 0.00 175.55 175.00 1n78 s ARG 104 N -3.91 4.20 -0.15 -3.49 0.52 -1.26 -0.66 118.95 114.20 1n78 s ARG 104 Ca 0.08 0.10 -0.03 0.00 -0.52 0.00 0.00 55.73 55.36 1n78 s ARG 104 Cb 0.08 -3.49 -0.02 0.00 0.52 0.00 0.00 34.95 32.03 1n78 s ARG 104 CO -0.09 0.09 -0.06 0.00 0.02 0.00 0.00 175.30 175.26 1n78 s ALA 105 N 0.92 2.90 -2.19 2.13 0.00 0.78 -4.87 121.76 121.43 1n78 s ALA 105 Ca 0.17 -0.84 0.19 0.00 0.00 0.00 0.00 51.96 51.48 1n78 s ALA 105 Cb -0.14 -1.46 0.26 0.00 0.00 0.00 0.00 23.12 21.79 1n78 s ALA 105 CO 0.06 0.23 1.21 1.19 0.00 0.00 0.00 175.76 178.45 1n78 n PHE 106 N 3.51 0.23 -1.84 0.00 3.01 -1.26 -1.16 117.46 119.95 1n78 n PHE 106 Ca -0.18 -0.14 -0.41 0.00 1.01 0.00 0.00 57.45 57.73 1n78 n PHE 106 Cb 0.53 -0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.99 1n78 n PHE 106 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1n78 s GLU 107 N -1.44 4.12 0.57 -1.08 8.01 -1.26 -4.83 118.70 122.79 1n78 s GLU 107 Ca 0.28 2.53 -0.07 0.00 0.01 0.00 0.00 54.97 57.72 1n78 s GLU 107 Cb 0.18 -2.96 -0.01 0.00 -4.31 0.00 0.00 34.13 27.02 1n78 s GLU 107 CO 0.25 -0.51 0.90 0.95 0.01 0.00 0.00 175.26 176.86 1n78 s THR 108 N -1.13 4.21 0.27 3.63 -4.23 -1.26 -4.82 115.64 112.31 1n78 s THR 108 Ca 0.53 0.25 -0.03 0.00 -1.18 0.00 0.00 61.69 61.26 1n78 s THR 108 Cb -0.46 -3.66 0.32 0.00 1.34 0.00 0.00 72.50 70.05 1n78 s THR 108 CO 0.62 -0.71 1.62 -0.65 -0.54 0.00 0.00 174.62 174.96 1n78 h PRO 109 N -0.12 0.10 0.07 3.99 0.11 -1.99 0.42 132.00 134.58 1n78 h PRO 109 Ca -0.46 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.66 1n78 h PRO 109 Cb 1.23 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1n78 h PRO 109 CO 0.62 0.07 -0.14 0.93 -0.21 0.00 0.00 178.00 179.27 1n78 h GLU 110 N 0.11 -0.26 -0.71 1.05 3.07 -1.99 -0.43 114.58 115.41 1n78 h GLU 110 Ca 0.49 0.02 0.09 0.00 -0.50 0.00 0.00 59.36 59.45 1n78 h GLU 110 Cb 0.92 0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 28.84 1n78 h GLU 110 CO -0.73 -0.17 0.47 0.93 -1.40 0.00 0.00 179.01 178.12 1n78 h GLU 111 N -0.26 0.61 -0.08 2.33 5.08 -1.34 -1.41 114.58 119.50 1n78 h GLU 111 Ca 0.03 -0.04 -0.23 0.00 -1.00 0.00 0.00 59.36 58.12 1n78 h GLU 111 Cb 0.29 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.41 1n78 h GLU 111 CO -0.09 0.40 -0.87 -0.07 -1.00 0.00 0.00 179.01 177.39 1n78 h LEU 112 N 0.62 0.81 -1.52 1.33 3.38 -0.60 -2.67 115.31 116.67 1n78 h LEU 112 Ca 0.33 -0.58 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 1n78 h LEU 112 Cb 0.44 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1n78 h LEU 112 CO -0.11 1.37 -0.12 -0.08 0.09 0.00 0.00 178.44 179.59 1n78 h GLU 113 N 0.42 0.16 0.79 1.13 4.57 -0.36 -0.16 114.58 121.13 1n78 h GLU 113 Ca -0.07 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.04 1n78 h GLU 113 Cb 1.49 -0.02 0.01 0.00 -0.16 0.00 0.00 28.75 30.07 1n78 h GLU 113 CO 0.17 0.29 -0.38 1.96 -1.18 0.00 0.00 179.01 179.87 1n78 h GLN 114 N 0.15 -1.03 0.00 1.92 1.08 -1.12 -1.71 115.11 114.41 1n78 h GLN 114 Ca 0.03 0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 1n78 h GLN 114 Cb 0.32 0.23 -0.00 0.00 -0.05 0.00 0.00 27.48 27.98 1n78 h GLN 114 CO 0.02 -0.68 -0.04 -0.84 -0.95 0.00 0.00 178.83 176.34 1n78 h ILE 115 N -1.17 0.52 0.00 2.54 -2.65 -1.27 0.36 117.51 115.84 1n78 h ILE 115 Ca -0.11 -0.16 -0.05 0.00 1.03 0.00 0.00 64.86 65.57 1n78 h ILE 115 Cb 0.82 1.10 -0.01 0.00 -2.05 0.00 0.00 36.82 36.68 1n78 h ILE 115 CO 0.18 0.04 -0.26 -0.09 0.03 0.00 0.00 178.15 178.05 1n78 h ARG 116 N 0.00 0.00 0.12 0.16 1.12 -0.81 -1.07 114.38 113.90 1n78 h ARG 116 Ca -0.00 0.00 -0.21 0.00 -1.11 0.00 0.00 59.98 58.66 1n78 h ARG 116 Cb 0.10 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 30.07 1n78 h ARG 116 CO 0.00 0.26 -0.98 -0.22 -3.11 0.00 0.00 179.97 175.92 1n78 h LYS 117 N 0.00 0.26 0.74 0.20 3.64 0.58 -1.01 116.57 120.98 1n78 h LYS 117 Ca -0.00 -0.45 -0.04 0.00 -1.27 0.00 0.00 60.65 58.89 1n78 h LYS 117 Cb 0.78 0.17 0.01 0.00 -0.41 0.00 0.00 32.23 32.77 1n78 h LYS 117 CO 0.03 1.22 -0.35 0.93 -2.27 0.00 0.00 179.45 179.01 1n78 h GLU 118 N -0.39 -0.95 -0.09 1.90 4.39 -0.96 -3.37 114.58 115.10 1n78 h GLU 118 Ca -0.19 0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1n78 h GLU 118 Cb 1.65 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 30.51 1n78 h GLU 118 CO 0.11 -0.64 0.00 0.36 -1.16 0.00 0.00 179.01 177.68 1n78 n LYS 119 N -5.18 1.17 -1.79 2.33 0.00 -0.43 -5.10 118.16 109.17 1n78 n LYS 119 Ca -0.12 -1.27 0.00 0.00 -0.00 0.00 0.00 58.31 56.92 1n78 n LYS 119 Cb 0.39 -1.13 0.00 0.00 -0.00 0.00 0.00 35.03 34.29 1n78 n LYS 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1n78 n GLY 120 N 0.22 -5.08 0.09 2.58 0.00 -0.38 -4.96 105.19 97.66 1n78 n GLY 120 Ca 0.05 -0.33 0.01 0.00 0.00 0.00 0.00 46.02 45.74 1n78 n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n78 n GLY 121 N 1.43 -1.51 3.81 -0.02 0.00 -1.24 -4.85 105.19 102.80 1n78 n GLY 121 Ca 0.00 -1.50 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 1n78 n GLY 121 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1n78 s TYR 122 N -1.38 3.81 -2.16 1.61 5.04 -1.26 -3.92 117.35 119.08 1n78 s TYR 122 Ca 0.00 1.29 0.27 0.00 -2.44 0.00 0.00 57.07 56.19 1n78 s TYR 122 Cb 0.00 -2.52 0.90 0.00 0.35 0.00 0.00 41.96 40.69 1n78 s TYR 122 CO 0.00 0.57 1.66 -0.40 -1.34 0.00 0.00 175.55 176.04 1n78 n ASP 123 N 1.78 1.30 -1.48 4.32 5.68 -1.26 -4.95 116.55 121.94 1n78 n ASP 123 Ca -0.10 -1.22 -0.14 0.00 -0.50 0.00 0.00 54.79 52.83 1n78 n ASP 123 Cb 0.51 0.06 -0.02 0.00 -1.14 0.00 0.00 41.12 40.53 1n78 n ASP 123 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n78 n GLY 124 N 1.25 0.19 0.34 6.12 0.00 -1.26 -4.90 105.19 106.93 1n78 n GLY 124 Ca 0.16 -0.31 0.08 0.00 0.00 0.00 0.00 46.02 45.95 1n78 n GLY 124 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1n78 h ARG 125 N 0.00 0.53 0.00 1.61 0.11 -2.02 -0.95 114.38 113.66 1n78 h ARG 125 Ca -0.32 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.72 1n78 h ARG 125 Cb 1.17 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 32.13 1n78 h ARG 125 CO 0.40 0.35 0.24 0.00 0.10 0.00 0.00 179.97 181.06 1n78 h ALA 126 N 1.68 1.21 0.00 0.08 0.00 -1.90 0.24 119.26 120.56 1n78 h ALA 126 Ca 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1n78 h ALA 126 Cb 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1n78 h ALA 126 CO -0.07 -0.21 -0.06 0.00 0.00 0.00 0.00 179.25 178.91 1n78 h ARG 127 N 0.00 0.00 -0.04 0.00 3.08 -1.50 -2.70 114.38 113.22 1n78 h ARG 127 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 1n78 h ARG 127 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 1n78 h ARG 127 CO 0.00 0.06 -0.80 -0.91 -1.07 0.00 0.00 179.97 177.25 1n78 h ASN 128 N 0.00 0.44 -1.75 7.04 2.35 -1.15 -3.45 115.58 119.05 1n78 h ASN 128 Ca -0.00 -0.31 -0.68 0.00 -0.55 0.00 0.00 56.30 54.76 1n78 h ASN 128 Cb 0.16 -0.13 0.03 0.00 0.05 0.00 0.00 38.32 38.43 1n78 h ASN 128 CO 0.01 1.07 0.76 -0.38 -1.65 0.00 0.00 177.43 177.23 1n78 n ILE 129 N -3.79 0.20 -1.71 2.81 5.41 -1.02 -4.84 119.36 116.42 1n78 n ILE 129 Ca -0.05 -0.04 -0.43 0.00 1.00 0.00 0.00 62.75 63.24 1n78 n ILE 129 Cb 0.75 -1.21 -0.03 0.00 -0.71 0.00 0.00 39.64 38.44 1n78 n ILE 129 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1n78 n PRO 130 N 4.29 2.49 -0.33 0.38 -0.02 -1.26 -4.78 135.00 135.76 1n78 n PRO 130 Ca 0.22 0.89 0.21 0.00 -2.02 0.00 0.00 63.50 62.80 1n78 n PRO 130 Cb 0.19 -2.67 0.40 0.00 -0.02 0.00 0.00 33.50 31.41 1n78 n PRO 130 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1n78 h PRO 131 N 5.55 0.01 -0.40 0.52 0.11 -1.94 0.21 132.00 136.06 1n78 h PRO 131 Ca -0.45 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.54 1n78 h PRO 131 Cb 1.23 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1n78 h PRO 131 CO 0.86 0.01 -0.20 0.93 -0.21 0.00 0.00 178.00 179.39 1n78 h GLU 132 N 0.01 0.85 -0.62 1.05 4.39 -2.00 -2.49 114.58 115.77 1n78 h GLU 132 Ca 0.70 -0.37 0.01 0.00 0.34 0.00 0.00 59.36 60.03 1n78 h GLU 132 Cb 1.62 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 30.21 1n78 h GLU 132 CO -0.86 1.01 0.41 1.49 -1.16 0.00 0.00 179.01 179.89 1n78 h GLU 133 N 0.66 0.81 0.17 2.33 4.81 -0.98 -0.33 114.58 122.04 1n78 h GLU 133 Ca 0.09 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1n78 h GLU 133 Cb 0.76 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1n78 h GLU 133 CO 0.06 0.53 -0.24 0.00 -0.73 0.00 0.00 179.01 178.63 1n78 h ALA 134 N 1.23 -0.88 -0.80 2.92 0.00 -1.16 0.77 119.26 121.35 1n78 h ALA 134 Ca 0.23 -0.08 0.19 0.00 0.00 0.00 0.00 54.91 55.25 1n78 h ALA 134 Cb -0.08 0.54 -0.13 0.00 0.00 0.00 0.00 17.79 18.12 1n78 h ALA 134 CO -0.06 -0.91 0.12 0.93 0.00 0.00 0.00 179.25 179.33 1n78 h GLU 135 N -0.43 0.17 0.24 0.00 4.39 -1.28 0.11 114.58 117.77 1n78 h GLU 135 Ca -0.02 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1n78 h GLU 135 Cb 0.39 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1n78 h GLU 135 CO -0.07 0.11 -0.22 0.93 -1.16 0.00 0.00 179.01 178.60 1n78 h GLU 136 N 0.17 -0.47 -0.54 2.33 4.39 -0.69 0.42 114.58 120.19 1n78 h GLU 136 Ca 0.46 0.03 0.06 0.00 0.34 0.00 0.00 59.36 60.25 1n78 h GLU 136 Cb 0.86 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.58 1n78 h GLU 136 CO -0.64 -0.31 0.36 0.00 -1.16 0.00 0.00 179.01 177.26 1n78 h ARG 137 N -0.48 0.50 -0.14 2.33 3.08 0.78 -1.27 114.38 119.17 1n78 h ARG 137 Ca -0.01 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 59.86 1n78 h ARG 137 Cb 0.44 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.39 1n78 h ARG 137 CO -0.04 0.33 -0.50 0.00 -1.07 0.00 0.00 179.97 178.69 1n78 h ALA 138 N 1.70 0.25 -0.89 0.04 0.00 -0.20 -1.74 119.26 118.42 1n78 h ALA 138 Ca 0.23 -0.50 0.10 0.00 0.00 0.00 0.00 54.91 54.74 1n78 h ALA 138 Cb 0.27 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 1n78 h ALA 138 CO -0.06 0.42 0.58 0.00 0.00 0.00 0.00 179.25 180.19 1n78 h ARG 139 N 0.22 0.85 0.00 0.00 3.08 0.89 0.41 114.38 119.83 1n78 h ARG 139 Ca -0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1n78 h ARG 139 Cb 1.13 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.99 1n78 h ARG 139 CO 0.11 0.56 0.00 0.54 -1.07 0.00 0.00 179.97 180.11 1n78 n ARG 140 N -4.53 0.13 -0.61 0.04 5.12 -0.62 -4.85 116.66 111.33 1n78 n ARG 140 Ca 0.15 0.17 0.00 0.00 -1.93 0.00 0.00 57.85 56.24 1n78 n ARG 140 Cb 0.32 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.12 1n78 n ARG 140 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1n78 n GLY 141 N 0.19 0.79 3.74 -0.13 0.00 0.14 -5.05 105.19 104.88 1n78 n GLY 141 Ca 0.06 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 1n78 n GLY 141 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1n78 s GLU 142 N -1.33 4.48 0.35 1.61 2.12 -0.66 -4.97 118.70 120.30 1n78 s GLU 142 Ca 0.00 1.90 -0.29 0.00 0.36 0.00 0.00 54.97 56.94 1n78 s GLU 142 Cb 0.00 -3.23 -0.11 0.00 0.26 0.00 0.00 34.13 31.04 1n78 s GLU 142 CO 0.00 -0.11 1.53 -2.30 -0.54 0.00 0.00 175.26 173.84 1n78 n PRO 143 N 2.51 2.70 -3.63 4.30 -0.02 -1.26 -4.67 135.00 134.91 1n78 n PRO 143 Ca 0.04 0.95 -0.02 0.00 -2.02 0.00 0.00 63.50 62.45 1n78 n PRO 143 Cb 0.44 -2.70 -0.01 0.00 -0.02 0.00 0.00 33.50 31.21 1n78 n PRO 143 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1n78 s HIS 144 N -0.77 -0.13 0.12 6.00 -3.43 -1.26 -4.65 115.29 111.17 1n78 s HIS 144 Ca 0.56 -0.02 0.06 0.00 -0.80 0.00 0.00 55.06 54.86 1n78 s HIS 144 Cb -0.48 0.56 -0.04 0.00 -1.43 0.00 0.00 32.58 31.20 1n78 s HIS 144 CO 0.59 -0.45 -0.15 0.14 -2.00 0.00 0.00 174.74 172.87 1n78 s VAL 145 N -2.75 1.39 -0.21 -5.38 -7.23 -0.31 -3.49 120.40 102.42 1n78 s VAL 145 Ca 0.11 -1.68 -0.09 0.00 -1.81 0.00 0.00 61.98 58.51 1n78 s VAL 145 Cb 0.01 -1.52 -0.04 0.00 0.56 0.00 0.00 36.38 35.39 1n78 s VAL 145 CO -0.03 -0.35 0.11 -0.63 -0.31 0.00 0.00 175.10 173.89 1n78 s ILE 146 N -1.95 5.07 0.19 -0.62 1.01 -0.76 -0.16 121.20 123.99 1n78 s ILE 146 Ca 0.08 0.07 0.08 0.00 0.00 0.00 0.00 60.65 60.88 1n78 s ILE 146 Cb -0.06 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 1n78 s ILE 146 CO 0.03 0.40 -0.02 -0.13 0.00 0.00 0.00 174.94 175.23 1n78 s ARG 147 N 0.76 2.33 0.24 2.79 0.52 0.16 0.16 118.95 125.91 1n78 s ARG 147 Ca 0.06 -1.19 -0.30 0.00 -0.52 0.00 0.00 55.73 53.78 1n78 s ARG 147 Cb -0.13 -2.29 -0.09 0.00 0.52 0.00 0.00 34.95 32.96 1n78 s ARG 147 CO 0.02 0.43 1.20 -1.17 0.02 0.00 0.00 175.30 175.80 1n78 s LEU 148 N -3.06 4.47 -1.04 2.53 2.96 0.20 -1.94 118.68 122.80 1n78 s LEU 148 Ca 0.28 2.34 -0.08 0.00 -0.22 0.00 0.00 54.13 56.45 1n78 s LEU 148 Cb -0.09 -3.62 0.26 0.00 0.50 0.00 0.00 46.19 43.24 1n78 s LEU 148 CO 0.18 -0.34 1.00 -0.75 -1.32 0.00 0.00 176.35 175.12 1n78 s LYS 149 N -0.85 3.93 0.29 1.98 2.20 0.14 -4.39 119.74 123.05 1n78 s LYS 149 Ca 0.50 -3.17 -0.30 0.00 -0.36 0.00 0.00 55.97 52.65 1n78 s LYS 149 Cb -0.34 -4.40 -0.11 0.00 -1.51 0.00 0.00 37.83 31.47 1n78 s LYS 149 CO 0.41 -1.25 1.54 0.08 -0.36 0.00 0.00 175.35 175.77 1n78 s VAL 150 N -1.16 2.23 0.00 4.02 1.01 -1.26 -4.77 120.40 120.48 1n78 s VAL 150 Ca 0.29 0.19 -0.30 0.00 0.00 0.00 0.00 61.98 62.16 1n78 s VAL 150 Cb -0.10 -3.12 -0.06 0.00 0.00 0.00 0.00 36.38 33.10 1n78 s VAL 150 CO -0.09 0.03 1.55 -2.84 0.00 0.00 0.00 175.10 173.75 1n78 s PRO 151 N -0.60 4.22 -0.05 2.72 0.02 -1.26 -5.02 135.00 135.04 1n78 s PRO 151 Ca 0.61 2.14 0.02 0.00 0.02 0.00 0.00 61.00 63.79 1n78 s PRO 151 Cb -0.46 -3.70 0.01 0.00 0.02 0.00 0.00 34.50 30.38 1n78 s PRO 151 CO 0.48 -0.71 -0.09 1.03 -0.33 0.00 0.00 177.00 177.38 1n78 s ARG 152 N 2.95 1.26 0.46 5.54 0.52 -1.26 -4.16 118.95 124.25 1n78 s ARG 152 Ca 0.69 -0.29 -0.08 0.00 -0.52 0.00 0.00 55.73 55.54 1n78 s ARG 152 Cb -0.34 -1.11 0.11 0.00 0.52 0.00 0.00 34.95 34.13 1n78 s ARG 152 CO 0.29 0.01 0.47 -2.30 0.02 0.00 0.00 175.30 173.79 1n78 n PRO 153 N 3.77 -1.40 0.00 3.54 -0.02 -1.26 -5.20 135.00 134.43 1n78 n PRO 153 Ca -0.23 -0.74 0.00 0.00 -2.02 0.00 0.00 63.50 60.51 1n78 n PRO 153 Cb 0.52 -0.62 0.00 0.00 -0.02 0.00 0.00 33.50 33.38 1n78 n PRO 153 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n78 n GLY 154 N 0.25 3.49 3.21 -1.23 0.00 -1.26 -5.00 105.19 104.65 1n78 n GLY 154 Ca 0.06 -1.49 -0.17 0.00 0.00 0.00 0.00 46.02 44.43 1n78 n GLY 154 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n78 s THR 155 N -2.00 1.16 -0.11 2.61 -4.23 -1.26 0.55 115.64 112.35 1n78 s THR 155 Ca 0.00 -1.64 0.01 0.00 -1.18 0.00 0.00 61.69 58.87 1n78 s THR 155 Cb 0.00 -1.42 0.02 0.00 1.34 0.00 0.00 72.50 72.45 1n78 s THR 155 CO 0.00 -0.45 -0.11 -0.89 -0.54 0.00 0.00 174.62 172.63 1n78 s THR 156 N -2.17 1.21 -0.06 3.99 2.01 0.80 -4.86 115.64 116.56 1n78 s THR 156 Ca 0.06 -0.44 -0.21 0.00 0.31 0.00 0.00 61.69 61.42 1n78 s THR 156 Cb -0.05 -1.16 -0.04 0.00 0.01 0.00 0.00 72.50 71.26 1n78 s THR 156 CO 0.02 0.39 0.61 -1.61 -0.69 0.00 0.00 174.62 173.33 1n78 s GLU 157 N 1.34 4.38 -0.08 4.92 2.02 -1.26 -0.86 118.70 129.16 1n78 s GLU 157 Ca -0.01 0.71 0.03 0.00 0.02 0.00 0.00 54.97 55.72 1n78 s GLU 157 Cb -0.14 -3.41 0.01 0.00 0.10 0.00 0.00 34.13 30.69 1n78 s GLU 157 CO -0.05 0.18 -0.16 0.08 0.02 0.00 0.00 175.26 175.32 1n78 s VAL 158 N 0.46 1.47 -0.27 2.63 1.01 0.28 -4.99 120.40 121.00 1n78 s VAL 158 Ca 0.32 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 1n78 s VAL 158 Cb -0.17 -1.31 0.02 0.00 0.00 0.00 0.00 36.38 34.92 1n78 s VAL 158 CO 0.16 0.43 0.00 -0.75 0.00 0.00 0.00 175.10 174.94 1n78 s LYS 159 N 0.57 2.99 -0.23 2.72 2.20 -1.26 -0.13 119.74 126.59 1n78 s LYS 159 Ca -0.16 -0.90 -0.09 0.00 -0.36 0.00 0.00 55.97 54.46 1n78 s LYS 159 Cb -0.17 -3.16 -0.04 0.00 -1.51 0.00 0.00 37.83 32.96 1n78 s LYS 159 CO 0.05 -0.40 0.13 0.34 -0.36 0.00 0.00 175.35 175.11 1n78 s ASP 160 N 1.41 5.82 0.63 1.43 -1.08 -0.90 -4.22 116.67 119.77 1n78 s ASP 160 Ca 0.02 0.03 0.31 0.00 -0.52 0.00 0.00 52.55 52.39 1n78 s ASP 160 Cb -0.17 -2.04 1.70 0.00 -1.46 0.00 0.00 42.92 40.95 1n78 s ASP 160 CO -0.01 0.06 2.01 -0.33 0.52 0.00 0.00 175.17 177.42 1n78 h GLU 161 N 7.55 0.00 0.00 4.34 4.39 -0.69 0.74 114.58 130.92 1n78 h GLU 161 Ca -0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1n78 h GLU 161 Cb 1.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1n78 h GLU 161 CO 0.64 0.00 -1.70 1.28 -1.16 0.00 0.00 179.01 178.07 1n78 n LEU 162 N -3.31 0.15 -0.04 1.33 4.77 -1.26 -4.66 117.00 113.98 1n78 n LEU 162 Ca 0.01 -0.08 -0.03 0.00 -0.03 0.00 0.00 56.01 55.87 1n78 n LEU 162 Cb 0.39 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.42 1n78 n LEU 162 CO 0.21 0.04 -0.74 0.54 -1.33 0.00 0.00 177.39 176.10 1n78 n ARG 163 N -2.04 2.56 0.00 3.23 1.74 -0.94 -5.09 116.66 116.13 1n78 n ARG 163 Ca -0.02 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1n78 n ARG 163 Cb 0.46 -1.20 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 1n78 n ARG 163 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n78 n GLY 164 N 2.49 -0.54 3.74 -0.13 0.00 0.21 -4.98 105.19 105.98 1n78 n GLY 164 Ca -0.12 -2.21 -0.41 0.00 0.00 0.00 0.00 46.02 43.29 1n78 n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n78 s VAL 165 N 0.00 4.20 -0.07 1.61 1.01 -1.26 -2.11 120.40 123.77 1n78 s VAL 165 Ca 0.00 1.99 0.03 0.00 0.00 0.00 0.00 61.98 64.00 1n78 s VAL 165 Cb 0.00 -4.27 0.01 0.00 0.00 0.00 0.00 36.38 32.12 1n78 s VAL 165 CO 0.00 0.38 -0.15 -0.69 0.00 0.00 0.00 175.10 174.64 1n78 s VAL 166 N -0.55 1.36 -0.34 2.92 1.01 0.81 -4.99 120.40 120.62 1n78 s VAL 166 Ca 0.45 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.75 1n78 s VAL 166 Cb -0.26 -1.22 0.04 0.00 0.00 0.00 0.00 36.38 34.94 1n78 s VAL 166 CO 0.32 0.40 0.10 -0.69 0.00 0.00 0.00 175.10 175.23 1n78 s VAL 167 N 0.55 3.78 0.08 2.92 1.01 -1.26 -0.55 120.40 126.92 1n78 s VAL 167 Ca -0.15 -1.11 -0.16 0.00 0.00 0.00 0.00 61.98 60.56 1n78 s VAL 167 Cb -0.16 -3.13 -0.06 0.00 0.00 0.00 0.00 36.38 33.03 1n78 s VAL 167 CO 0.05 -0.16 0.52 -0.31 0.00 0.00 0.00 175.10 175.19 1n78 s TYR 168 N 1.40 3.71 -0.13 5.22 2.02 -0.04 -4.91 117.35 124.62 1n78 s TYR 168 Ca -0.02 1.11 -0.22 0.00 -0.37 0.00 0.00 57.07 57.57 1n78 s TYR 168 Cb -0.19 -2.39 -0.03 0.00 -0.40 0.00 0.00 41.96 38.95 1n78 s TYR 168 CO 0.03 0.54 0.67 0.34 -1.57 0.00 0.00 175.55 175.56 1n78 s ASP 169 N -1.36 6.85 0.58 2.29 3.68 -1.26 -0.14 116.67 127.31 1n78 s ASP 169 Ca 0.31 1.03 0.23 0.00 2.13 0.00 0.00 52.55 56.25 1n78 s ASP 169 Cb -0.17 -2.38 1.26 0.00 -1.45 0.00 0.00 42.92 40.18 1n78 s ASP 169 CO 0.18 -0.19 1.68 0.78 0.13 0.00 0.00 175.17 177.75 1n78 h ASN 170 N 7.07 0.00 0.45 -0.34 4.21 -0.23 0.41 115.58 127.15 1n78 h ASN 170 Ca -0.36 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.13 1n78 h ASN 170 Cb 1.17 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.37 1n78 h ASN 170 CO 0.77 0.00 -0.07 -0.61 -1.29 0.00 0.00 177.43 176.24 1n78 h GLN 171 N 0.00 0.00 -0.01 0.81 5.75 -1.91 -1.49 115.11 118.26 1n78 h GLN 171 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1n78 h GLN 171 Cb 0.76 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.31 1n78 h GLN 171 CO 0.00 0.07 -0.40 0.39 -2.65 0.00 0.00 178.83 176.23 1n78 n GLU 172 N -3.37 0.87 -3.55 1.69 -0.58 0.14 -4.80 120.64 111.04 1n78 n GLU 172 Ca -0.01 -0.62 -0.41 0.00 -0.42 0.00 0.00 57.16 55.69 1n78 n GLU 172 Cb 0.22 -1.49 -0.10 0.00 -0.57 0.00 0.00 31.44 29.50 1n78 n GLU 172 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1n78 s ILE 173 N -2.56 4.71 0.72 -3.67 1.01 -0.56 -5.06 121.20 115.80 1n78 s ILE 173 Ca 0.20 -0.92 -0.11 0.00 0.00 0.00 0.00 60.65 59.82 1n78 s ILE 173 Cb 0.18 -3.68 0.02 0.00 0.01 0.00 0.00 42.46 38.99 1n78 s ILE 173 CO 0.57 -0.32 1.07 -2.16 0.00 0.00 0.00 174.94 174.10 1n78 s PRO 174 N 1.57 2.72 -1.44 2.79 0.04 -1.26 -4.89 135.00 134.52 1n78 s PRO 174 Ca 0.03 0.87 -0.14 0.00 0.04 0.00 0.00 61.00 61.80 1n78 s PRO 174 Cb -0.20 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.39 1n78 s PRO 174 CO 0.07 -1.23 2.25 -0.25 0.04 0.00 0.00 177.00 177.88 1n78 n ASP 175 N -3.20 4.04 -4.60 6.66 8.00 -1.26 -4.85 116.55 121.33 1n78 n ASP 175 Ca 0.07 -2.82 -0.37 0.00 0.71 0.00 0.00 54.79 52.38 1n78 n ASP 175 Cb 0.54 -1.64 0.06 0.00 -0.02 0.00 0.00 41.12 40.07 1n78 n ASP 175 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1n78 n VAL 176 N 5.06 3.35 -2.24 2.53 0.24 -1.26 -4.16 118.33 121.86 1n78 n VAL 176 Ca 0.53 -0.46 -0.40 0.00 -2.04 0.00 0.00 64.34 61.97 1n78 n VAL 176 Cb 0.38 -1.09 -0.03 0.00 -1.47 0.00 0.00 33.84 31.64 1n78 n VAL 176 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1n78 s VAL 177 N -1.64 2.98 -0.13 3.34 1.01 -1.26 -0.63 120.40 124.08 1n78 s VAL 177 Ca 0.75 0.96 -0.05 0.00 0.00 0.00 0.00 61.98 63.64 1n78 s VAL 177 Cb -0.39 -3.60 -0.06 0.00 0.00 0.00 0.00 36.38 32.33 1n78 s VAL 177 CO 0.48 0.21 -0.16 0.18 0.00 0.00 0.00 175.10 175.81 1n78 n LEU 178 N 0.76 1.29 -4.08 3.92 4.77 0.12 -4.68 117.00 119.10 1n78 n LEU 178 Ca 0.01 0.12 -0.32 0.00 -0.03 0.00 0.00 56.01 55.79 1n78 n LEU 178 Cb 0.43 -0.39 -0.16 0.00 -2.33 0.00 0.00 43.42 40.97 1n78 n LEU 178 CO 0.56 0.35 -0.50 -0.22 -1.33 0.00 0.00 177.39 176.25 1n78 s LEU 179 N -6.54 2.19 0.67 2.23 0.20 -0.98 -0.33 118.68 116.12 1n78 s LEU 179 Ca -0.18 -0.72 -0.14 0.00 0.69 0.00 0.00 54.13 53.78 1n78 s LEU 179 Cb 0.07 -1.39 0.00 0.00 -0.43 0.00 0.00 46.19 44.44 1n78 s LEU 179 CO 0.24 -0.05 1.08 -0.54 -0.29 0.00 0.00 176.35 176.79 1n78 s LYS 180 N 1.33 2.84 0.00 1.98 1.02 0.19 -1.82 119.74 125.28 1n78 s LYS 180 Ca 0.03 1.22 0.00 0.00 0.02 0.00 0.00 55.97 57.24 1n78 s LYS 180 Cb -0.14 -1.97 0.00 0.00 -0.52 0.00 0.00 37.83 35.20 1n78 s LYS 180 CO -0.11 -1.20 0.95 -1.13 -0.92 0.00 0.00 175.35 172.95 1n78 n SER 181 N -2.67 0.00 -1.52 2.83 3.41 -1.23 -1.26 113.62 113.19 1n78 n SER 181 Ca 0.09 0.45 0.09 0.00 -0.26 0.00 0.00 58.87 59.24 1n78 n SER 181 Cb 0.53 -0.45 0.34 0.00 -0.26 0.00 0.00 64.21 64.36 1n78 n SER 181 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1n78 n ASP 182 N -1.45 4.50 0.00 4.04 3.85 -1.26 -4.72 116.55 121.51 1n78 n ASP 182 Ca 0.00 -2.44 0.00 0.00 -0.71 0.00 0.00 54.79 51.64 1n78 n ASP 182 Cb 0.03 -0.57 0.00 0.00 -1.35 0.00 0.00 41.12 39.24 1n78 n ASP 182 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1n78 n GLY 183 N 1.06 2.08 3.83 6.12 0.00 -0.38 -5.02 105.19 112.87 1n78 n GLY 183 Ca 0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 1n78 n GLY 183 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n78 s TYR 184 N -3.16 3.70 0.67 1.61 2.02 -1.25 -4.85 117.35 116.10 1n78 s TYR 184 Ca 0.00 1.16 -0.09 0.00 -0.37 0.00 0.00 57.07 57.77 1n78 s TYR 184 Cb 0.00 -2.43 0.02 0.00 -0.40 0.00 0.00 41.96 39.15 1n78 s TYR 184 CO 0.00 0.51 1.03 -1.25 -1.57 0.00 0.00 175.55 174.27 1n78 s PRO 185 N -1.55 2.80 0.39 -1.71 0.04 -1.26 0.56 135.00 134.27 1n78 s PRO 185 Ca 0.33 0.25 0.05 0.00 0.04 0.00 0.00 61.00 61.68 1n78 s PRO 185 Cb -0.17 -2.11 -0.00 0.00 0.04 0.00 0.00 34.50 32.26 1n78 s PRO 185 CO 0.19 -0.96 0.55 0.95 0.04 0.00 0.00 177.00 177.76 1n78 s THR 186 N -3.24 3.78 0.29 1.26 -4.23 0.55 -4.75 115.64 109.29 1n78 s THR 186 Ca 0.57 -0.88 0.03 0.00 -1.18 0.00 0.00 61.69 60.24 1n78 s THR 186 Cb -0.11 -3.33 0.28 0.00 1.34 0.00 0.00 72.50 70.69 1n78 s THR 186 CO 0.49 -0.15 1.76 0.22 -0.54 0.00 0.00 174.62 176.40 1n78 h TYR 187 N 0.70 0.93 -0.43 3.99 3.20 -1.91 -2.42 116.97 121.03 1n78 h TYR 187 Ca -0.45 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.46 1n78 h TYR 187 Cb 1.26 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 39.24 1n78 h TYR 187 CO 0.42 0.19 0.28 0.45 -1.64 0.00 0.00 178.16 177.87 1n78 h HIS 188 N 0.68 0.54 0.00 -3.82 3.86 -1.92 0.23 115.15 114.72 1n78 h HIS 188 Ca 0.54 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.76 1n78 h HIS 188 Cb 0.83 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 29.12 1n78 h HIS 188 CO -0.05 0.34 -0.00 1.25 0.86 0.00 0.00 177.93 180.33 1n78 h LEU 189 N 0.58 -0.00 -0.94 2.43 7.12 -1.74 -3.16 115.31 119.60 1n78 h LEU 189 Ca 0.16 -0.55 0.04 0.00 0.13 0.00 0.00 57.88 57.66 1n78 h LEU 189 Cb -0.07 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 40.01 1n78 h LEU 189 CO -0.03 0.55 0.61 0.00 -0.13 0.00 0.00 178.44 179.44 1n78 h ALA 190 N 0.43 1.25 0.18 1.25 0.00 -1.42 -1.86 119.26 119.10 1n78 h ALA 190 Ca -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1n78 h ALA 190 Cb 0.56 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1n78 h ALA 190 CO 0.00 0.46 -0.09 -0.97 0.00 0.00 0.00 179.25 178.65 1n78 h ASN 191 N 1.16 -0.21 -0.44 0.00 -0.73 -1.00 -0.60 115.58 113.76 1n78 h ASN 191 Ca 0.38 -0.01 -0.08 0.00 1.87 0.00 0.00 56.30 58.46 1n78 h ASN 191 Cb 0.04 0.05 -0.02 0.00 0.27 0.00 0.00 38.32 38.67 1n78 h ASN 191 CO -0.13 -0.13 -0.02 0.58 -0.37 0.00 0.00 177.43 177.35 1n78 h VAL 192 N -0.27 1.26 -0.66 2.57 2.07 -1.50 -0.72 116.25 119.00 1n78 h VAL 192 Ca -0.03 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 1n78 h VAL 192 Cb 0.21 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1n78 h VAL 192 CO 0.04 0.37 0.37 0.58 0.02 0.00 0.00 177.57 178.95 1n78 h VAL 193 N 0.64 1.20 -0.00 2.57 2.07 -1.25 -2.19 116.25 119.29 1n78 h VAL 193 Ca 0.12 -0.50 -0.26 0.00 0.82 0.00 0.00 66.70 66.89 1n78 h VAL 193 Cb 0.53 0.33 0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1n78 h VAL 193 CO 0.03 0.22 -1.00 0.44 0.02 0.00 0.00 177.57 177.28 1n78 h ASP 194 N 0.90 0.88 -0.64 0.57 3.45 -1.02 -1.42 116.42 119.14 1n78 h ASP 194 Ca 0.23 -0.74 -0.01 0.00 0.43 0.00 0.00 57.03 56.94 1n78 h ASP 194 Cb 0.03 -0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 38.50 1n78 h ASP 194 CO -0.04 1.50 0.34 0.44 -1.57 0.00 0.00 179.24 179.92 1n78 h ASP 195 N 0.35 0.81 0.36 6.45 3.45 -1.10 0.17 116.42 126.92 1n78 h ASP 195 Ca -0.12 -0.10 -0.02 0.00 0.43 0.00 0.00 57.03 57.22 1n78 h ASP 195 Cb 1.65 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 40.22 1n78 h ASP 195 CO 0.20 0.68 -0.17 -0.74 -1.57 0.00 0.00 179.24 177.63 1n78 h HIS 196 N 0.88 -0.45 0.00 4.55 2.76 -1.44 0.27 115.15 121.72 1n78 h HIS 196 Ca 0.22 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.38 1n78 h HIS 196 Cb 0.05 0.15 -0.00 0.00 1.55 0.00 0.00 27.41 29.16 1n78 h HIS 196 CO -0.01 -0.15 -0.01 -0.07 -1.30 0.00 0.00 177.93 176.39 1n78 h LEU 197 N -0.72 0.00 -1.54 0.26 3.38 -1.12 -1.37 115.31 114.19 1n78 h LEU 197 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1n78 h LEU 197 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1n78 h LEU 197 CO 0.08 0.01 0.00 0.23 0.09 0.00 0.00 178.44 178.85 1n78 n MET 198 N -4.46 2.00 -1.39 1.13 2.81 0.60 -4.95 117.12 112.86 1n78 n MET 198 Ca -0.03 -1.52 -0.08 0.00 -1.81 0.00 0.00 57.70 54.26 1n78 n MET 198 Cb 0.10 -1.42 -0.03 0.00 -0.71 0.00 0.00 33.22 31.16 1n78 n MET 198 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1n78 n GLY 199 N 1.25 0.80 3.66 3.03 0.00 -0.52 -4.97 105.19 108.44 1n78 n GLY 199 Ca 0.17 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 1n78 n GLY 199 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n78 s VAL 200 N -2.30 3.18 -0.06 1.61 1.01 0.91 -4.55 120.40 120.20 1n78 s VAL 200 Ca 0.00 0.29 0.14 0.00 0.00 0.00 0.00 61.98 62.41 1n78 s VAL 200 Cb 0.00 -3.19 -0.21 0.00 0.00 0.00 0.00 36.38 32.98 1n78 s VAL 200 CO 0.00 -0.02 0.24 0.35 0.00 0.00 0.00 175.10 175.67 1n78 n THR 201 N 5.42 0.31 -3.82 3.92 -2.24 -0.73 -4.70 114.28 112.44 1n78 n THR 201 Ca 0.19 -0.43 -0.29 0.00 -2.27 0.00 0.00 64.05 61.25 1n78 n THR 201 Cb 0.41 -0.10 -0.16 0.00 -2.10 0.00 0.00 70.33 68.39 1n78 n THR 201 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1n78 s ASP 202 N -4.06 3.61 -0.44 3.42 1.01 -0.99 -1.20 116.67 118.01 1n78 s ASP 202 Ca -0.06 -1.21 -0.21 0.00 0.71 0.00 0.00 52.55 51.77 1n78 s ASP 202 Cb 0.08 -0.91 0.02 0.00 1.01 0.00 0.00 42.92 43.12 1n78 s ASP 202 CO 0.61 -0.31 0.68 -0.69 0.21 0.00 0.00 175.17 175.67 1n78 s VAL 203 N 1.59 4.78 -0.29 -1.27 1.01 -0.04 -4.42 120.40 121.77 1n78 s VAL 203 Ca 0.01 0.19 -0.02 0.00 0.00 0.00 0.00 61.98 62.16 1n78 s VAL 203 Cb -0.18 -4.24 0.04 0.00 0.00 0.00 0.00 36.38 32.00 1n78 s VAL 203 CO -0.12 -0.63 -0.00 -0.63 0.00 0.00 0.00 175.10 173.72 1n78 s ILE 204 N 2.95 3.09 0.19 2.22 1.01 -1.26 -0.80 121.20 128.60 1n78 s ILE 204 Ca 0.25 -1.20 -0.09 0.00 0.00 0.00 0.00 60.65 59.60 1n78 s ILE 204 Cb -0.14 -2.70 -0.01 0.00 0.01 0.00 0.00 42.46 39.63 1n78 s ILE 204 CO 0.20 -0.01 0.33 0.00 0.00 0.00 0.00 174.94 175.46 1n78 s ARG 205 N 1.30 1.28 0.56 2.79 3.03 -0.80 -4.93 118.95 122.20 1n78 s ARG 205 Ca -0.03 -1.25 -0.20 0.00 2.03 0.00 0.00 55.73 56.28 1n78 s ARG 205 Cb -0.19 0.39 -0.05 0.00 -1.03 0.00 0.00 34.95 34.08 1n78 s ARG 205 CO -0.01 -0.49 1.22 0.00 -1.13 0.00 0.00 175.30 174.89 1n78 s ALA 206 N -4.01 2.67 0.53 7.88 0.00 -1.26 -0.08 121.76 127.50 1n78 s ALA 206 Ca 0.22 1.04 0.40 0.00 0.00 0.00 0.00 51.96 53.62 1n78 s ALA 206 Cb 0.03 -3.46 1.59 0.00 0.00 0.00 0.00 23.12 21.28 1n78 s ALA 206 CO 0.04 -1.09 1.70 1.49 0.00 0.00 0.00 175.76 177.91 1n78 h GLU 207 N 1.20 0.03 0.00 0.00 4.81 0.36 -1.52 114.58 119.46 1n78 h GLU 207 Ca -0.50 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1n78 h GLU 207 Cb 1.29 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1n78 h GLU 207 CO 0.56 0.02 0.11 1.05 -0.73 0.00 0.00 179.01 180.02 1n78 h GLU 208 N 0.03 0.00 -0.01 1.92 4.11 -1.90 -1.06 114.58 117.67 1n78 h GLU 208 Ca 0.72 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.15 1n78 h GLU 208 Cb 2.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.06 1n78 h GLU 208 CO -0.06 0.00 -0.31 0.91 0.07 0.00 0.00 179.01 179.63 1n78 n TRP 209 N -2.51 0.00 -0.03 2.06 7.02 -0.57 -4.48 117.44 118.92 1n78 n TRP 209 Ca -0.02 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.38 1n78 n TRP 209 Cb 0.15 -0.04 -0.03 0.00 -2.42 0.00 0.00 31.31 28.97 1n78 n TRP 209 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 1n78 h LEU 210 N 2.28 -0.26 -1.64 -0.99 5.85 -1.38 -1.46 115.31 117.72 1n78 h LEU 210 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1n78 h LEU 210 Cb 0.68 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1n78 h LEU 210 CO 0.00 -0.10 0.00 0.58 -0.34 0.00 0.00 178.44 178.58 1n78 h VAL 211 N -0.05 0.00 0.00 1.05 2.07 -1.79 -0.72 116.25 116.81 1n78 h VAL 211 Ca 0.10 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1n78 h VAL 211 Cb 0.20 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1n78 h VAL 211 CO -0.22 0.00 -1.23 -1.20 0.02 0.00 0.00 177.57 174.94 1n78 n SER 212 N -2.42 0.57 -0.30 0.57 7.64 -0.58 -4.25 113.62 114.84 1n78 n SER 212 Ca -0.01 0.06 0.12 0.00 1.01 0.00 0.00 58.87 60.05 1n78 n SER 212 Cb 0.06 0.92 0.35 0.00 -1.01 0.00 0.00 64.21 64.53 1n78 n SER 212 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1n78 h THR 213 N 0.00 0.81 -0.79 0.44 2.02 -0.72 -0.60 112.91 114.07 1n78 h THR 213 Ca 0.00 -0.25 0.10 0.00 0.77 0.00 0.00 66.41 67.03 1n78 h THR 213 Cb 0.90 0.01 -0.07 0.00 -1.74 0.00 0.00 68.15 67.25 1n78 h THR 213 CO 0.00 0.13 0.43 -0.65 0.37 0.00 0.00 175.52 175.81 1n78 h PRO 214 N 0.74 0.70 -0.81 6.66 0.11 -1.74 0.39 132.00 138.05 1n78 h PRO 214 Ca 0.49 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.52 1n78 h PRO 214 Cb 0.76 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 31.68 1n78 h PRO 214 CO -0.25 0.46 0.38 0.82 -0.21 0.00 0.00 178.00 179.21 1n78 h ILE 215 N 0.72 1.25 -0.32 4.15 2.04 -1.39 -1.58 117.51 122.39 1n78 h ILE 215 Ca 0.39 -0.71 -0.16 0.00 1.00 0.00 0.00 64.86 65.38 1n78 h ILE 215 Cb 0.39 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1n78 h ILE 215 CO -0.26 0.30 -0.42 0.45 0.00 0.00 0.00 178.15 178.22 1n78 h HIS 216 N 1.15 1.03 -0.64 1.37 3.86 -0.54 -1.55 115.15 119.83 1n78 h HIS 216 Ca 0.28 -0.34 0.04 0.00 -1.16 0.00 0.00 60.37 59.19 1n78 h HIS 216 Cb 0.12 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 28.34 1n78 h HIS 216 CO 0.01 1.15 0.38 0.28 0.86 0.00 0.00 177.93 180.61 1n78 h VAL 217 N 0.62 1.05 0.29 2.45 2.07 -0.06 0.32 116.25 122.99 1n78 h VAL 217 Ca 0.04 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 1n78 h VAL 217 Cb 1.02 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1n78 h VAL 217 CO 0.10 0.14 -0.14 -0.07 0.02 0.00 0.00 177.57 177.61 1n78 h LEU 218 N 0.74 -0.34 -0.89 2.57 4.07 -1.17 -1.77 115.31 118.52 1n78 h LEU 218 Ca 0.27 0.01 0.11 0.00 0.08 0.00 0.00 57.88 58.35 1n78 h LEU 218 Cb 0.07 0.09 -0.08 0.00 1.08 0.00 0.00 40.66 41.82 1n78 h LEU 218 CO -0.13 -0.24 0.53 -0.07 -1.08 0.00 0.00 178.44 177.45 1n78 h LEU 219 N -0.39 0.75 -1.07 1.67 3.38 -0.69 0.76 115.31 119.71 1n78 h LEU 219 Ca -0.04 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1n78 h LEU 219 Cb 0.30 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1n78 h LEU 219 CO 0.06 0.40 0.36 1.88 0.09 0.00 0.00 178.44 181.24 1n78 h TYR 220 N 0.84 1.01 -0.17 1.13 -1.99 -0.64 -2.00 116.97 115.15 1n78 h TYR 220 Ca 0.44 -0.03 -0.03 0.00 2.00 0.00 0.00 58.73 61.11 1n78 h TYR 220 Cb 0.45 -0.32 -0.01 0.00 2.00 0.00 0.00 36.73 38.86 1n78 h TYR 220 CO -0.04 0.72 -0.00 -0.09 -0.00 0.00 0.00 178.16 178.75 1n78 h ARG 221 N 1.02 0.30 -0.68 4.88 2.43 -0.10 0.05 114.38 122.29 1n78 h ARG 221 Ca 0.25 -0.10 0.10 0.00 -0.81 0.00 0.00 59.98 59.43 1n78 h ARG 221 Cb 0.08 -0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 29.52 1n78 h ARG 221 CO -0.04 0.52 0.30 0.00 -1.51 0.00 0.00 179.97 179.24 1n78 h ALA 222 N 0.77 0.92 0.00 2.80 0.00 -0.57 -1.16 119.26 122.02 1n78 h ALA 222 Ca 0.05 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1n78 h ALA 222 Cb 0.39 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1n78 h ALA 222 CO 0.01 -0.13 0.00 0.74 0.00 0.00 0.00 179.25 179.87 1n78 h PHE 223 N 0.50 0.00 -0.05 0.00 0.04 -1.34 -3.47 116.94 112.62 1n78 h PHE 223 Ca 0.34 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.11 1n78 h PHE 223 Cb 0.42 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.57 1n78 h PHE 223 CO -0.14 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 177.98 1n78 n GLY 224 N 1.01 0.48 3.73 -1.45 0.00 -0.44 -5.06 105.19 103.46 1n78 n GLY 224 Ca 0.05 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 45.00 1n78 n GLY 224 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1n78 s TRP 225 N -2.05 2.91 0.02 1.61 0.51 -0.07 -5.03 118.94 116.85 1n78 s TRP 225 Ca 0.00 -0.15 -0.29 0.00 -2.12 0.00 0.00 56.10 53.54 1n78 s TRP 225 Cb 0.00 -1.33 -0.04 0.00 -0.81 0.00 0.00 33.47 31.29 1n78 s TRP 225 CO 0.00 0.56 0.91 -2.00 -0.51 0.00 0.00 176.95 175.91 1n78 s GLU 226 N -3.59 4.57 0.32 4.98 2.12 -1.26 -4.40 118.70 121.43 1n78 s GLU 226 Ca 0.31 1.31 -0.27 0.00 0.36 0.00 0.00 54.97 56.69 1n78 s GLU 226 Cb -0.08 -3.43 -0.10 0.00 0.26 0.00 0.00 34.13 30.79 1n78 s GLU 226 CO 0.22 0.07 0.96 0.00 -0.54 0.00 0.00 175.26 175.96 1n78 s ALA 227 N 0.61 3.22 0.95 6.30 0.00 -1.26 -5.04 121.76 126.54 1n78 s ALA 227 Ca 0.47 0.56 -0.15 0.00 0.00 0.00 0.00 51.96 52.84 1n78 s ALA 227 Cb -0.21 -3.20 0.18 0.00 0.00 0.00 0.00 23.12 19.89 1n78 s ALA 227 CO 0.27 0.14 1.27 -1.25 0.00 0.00 0.00 175.76 176.19 1n78 s PRO 228 N -1.95 0.77 0.43 0.00 0.04 -1.26 -5.04 135.00 128.00 1n78 s PRO 228 Ca 0.49 -0.25 -0.22 0.00 0.04 0.00 0.00 61.00 61.06 1n78 s PRO 228 Cb -0.20 -1.85 -0.10 0.00 0.04 0.00 0.00 34.50 32.39 1n78 s PRO 228 CO 0.26 -2.35 0.98 1.03 0.04 0.00 0.00 177.00 176.96 1n78 s ARG 229 N -5.77 4.15 -0.11 4.56 0.52 -0.34 -4.90 118.95 117.06 1n78 s ARG 229 Ca 0.71 1.25 0.03 0.00 -0.52 0.00 0.00 55.73 57.20 1n78 s ARG 229 Cb -0.06 -2.27 -0.00 0.00 0.52 0.00 0.00 34.95 33.14 1n78 s ARG 229 CO 0.52 -0.11 -0.21 -0.06 0.02 0.00 0.00 175.30 175.46 1n78 s PHE 230 N -2.01 2.63 -0.29 -0.53 0.08 -1.26 -0.86 117.98 115.75 1n78 s PHE 230 Ca 0.62 -1.03 -0.00 0.00 0.12 0.00 0.00 56.93 56.63 1n78 s PHE 230 Cb -0.13 -1.76 0.09 0.00 -0.57 0.00 0.00 43.02 40.64 1n78 s PHE 230 CO 0.18 -0.42 0.06 0.71 -0.10 0.00 0.00 175.22 175.64 1n78 s TYR 231 N 0.45 2.04 -0.30 0.36 1.51 0.02 0.05 117.35 121.47 1n78 s TYR 231 Ca -0.15 -1.82 -0.15 0.00 -1.01 0.00 0.00 57.07 53.94 1n78 s TYR 231 Cb -0.17 -1.79 -0.03 0.00 -0.11 0.00 0.00 41.96 39.87 1n78 s TYR 231 CO 0.06 -0.84 0.39 -1.01 -1.11 0.00 0.00 175.55 173.04 1n78 s HIS 232 N 1.51 3.23 0.50 2.71 3.76 -1.26 -1.90 115.29 123.84 1n78 s HIS 232 Ca 0.06 0.26 -0.06 0.00 -0.15 0.00 0.00 55.06 55.18 1n78 s HIS 232 Cb -0.18 -2.65 -0.03 0.00 1.11 0.00 0.00 32.58 30.83 1n78 s HIS 232 CO -0.18 -0.33 0.81 -1.64 -0.85 0.00 0.00 174.74 172.56 1n78 s MET 233 N 2.10 3.50 0.73 1.40 -1.94 0.89 -4.67 119.30 121.31 1n78 s MET 233 Ca 0.15 0.22 -0.14 0.00 -1.71 0.00 0.00 55.69 54.20 1n78 s MET 233 Cb -0.16 -2.35 0.04 0.00 2.01 0.00 0.00 34.83 34.37 1n78 s MET 233 CO 0.11 -0.27 1.17 -2.14 -0.01 0.00 0.00 175.02 173.88 1n78 s PRO 234 N -4.79 2.20 -0.24 2.03 0.02 -1.26 0.98 135.00 133.94 1n78 s PRO 234 Ca 0.48 1.61 -0.14 0.00 0.02 0.00 0.00 61.00 62.97 1n78 s PRO 234 Cb -0.10 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 32.52 1n78 s PRO 234 CO 0.45 -1.75 0.33 -0.51 -0.33 0.00 0.00 177.00 175.19 1n78 s LEU 235 N -5.27 4.09 0.47 -5.54 1.43 -1.26 -4.60 118.68 108.00 1n78 s LEU 235 Ca 0.71 0.32 -0.24 0.00 -1.03 0.00 0.00 54.13 53.89 1n78 s LEU 235 Cb -0.26 -2.38 -0.08 0.00 0.03 0.00 0.00 46.19 43.50 1n78 s LEU 235 CO 0.46 -0.10 1.29 0.18 0.23 0.00 0.00 176.35 178.41 1n78 n LEU 236 N 4.84 4.49 -4.37 1.79 4.32 -1.26 -4.10 117.00 122.71 1n78 n LEU 236 Ca -0.10 1.06 -0.21 0.00 -0.02 0.00 0.00 56.01 56.74 1n78 n LEU 236 Cb 0.51 -1.52 -0.11 0.00 -1.62 0.00 0.00 43.42 40.68 1n78 n LEU 236 CO 0.37 -0.66 -0.47 -0.13 -1.22 0.00 0.00 177.39 175.29 1n78 s ARG 237 N -2.44 1.38 0.93 3.23 1.81 0.61 -0.58 118.95 123.89 1n78 s ARG 237 Ca 0.65 -1.55 -0.13 0.00 -1.72 0.00 0.00 55.73 52.97 1n78 s ARG 237 Cb -0.47 -1.35 0.15 0.00 -0.45 0.00 0.00 34.95 32.83 1n78 s ARG 237 CO 0.55 0.25 1.16 -0.80 -0.68 0.00 0.00 175.30 175.78 1n78 s ASN 238 N -3.08 3.33 0.62 0.23 0.01 0.73 -1.79 114.94 114.98 1n78 s ASN 238 Ca 0.21 0.86 0.37 0.00 -0.71 0.00 0.00 52.86 53.60 1n78 s ASN 238 Cb -0.04 -1.35 2.05 0.00 0.41 0.00 0.00 41.25 42.32 1n78 s ASN 238 CO 0.08 -2.65 2.27 1.55 -1.51 0.00 0.00 177.10 176.84 1n78 h PRO 239 N -1.57 0.00 -0.42 -0.60 0.13 -1.84 -0.93 132.00 126.77 1n78 h PRO 239 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1n78 h PRO 239 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1n78 h PRO 239 CO 0.58 0.02 0.00 -0.40 -0.23 0.00 0.00 178.00 177.96 1n78 n ASP 240 N -3.37 1.93 0.00 1.44 5.75 -1.26 -4.92 116.55 116.12 1n78 n ASP 240 Ca -0.03 -2.09 0.00 0.00 -0.01 0.00 0.00 54.79 52.67 1n78 n ASP 240 Cb 0.12 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 1n78 n ASP 240 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1n78 n LYS 241 N 0.36 0.00 -1.81 0.11 4.76 -0.35 -5.03 118.16 116.19 1n78 n LYS 241 Ca 0.10 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.23 1n78 n LYS 241 Cb 0.34 -2.38 0.03 0.00 -1.84 0.00 0.00 35.03 31.18 1n78 n LYS 241 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1n78 s THR 242 N -3.21 3.86 0.22 -0.18 -4.23 -1.26 -4.67 115.64 106.17 1n78 s THR 242 Ca 0.00 0.75 -0.32 0.00 -1.18 0.00 0.00 61.69 60.94 1n78 s THR 242 Cb 0.00 -3.36 -0.13 0.00 1.34 0.00 0.00 72.50 70.35 1n78 s THR 242 CO 0.00 -0.64 1.62 2.29 -0.54 0.00 0.00 174.62 177.34 1n78 n LYS 243 N -2.55 2.49 -1.56 3.99 2.85 -1.26 -0.19 118.16 121.93 1n78 n LYS 243 Ca 0.08 0.89 -0.60 0.00 -1.05 0.00 0.00 58.31 57.63 1n78 n LYS 243 Cb 0.53 -2.68 -0.08 0.00 -0.65 0.00 0.00 35.03 32.15 1n78 n LYS 243 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 177.40 178.86 1n78 n ILE 244 N 3.18 0.00 -4.11 0.58 3.06 0.25 -4.51 119.36 117.81 1n78 n ILE 244 Ca 0.14 -0.00 -0.12 0.00 -2.50 0.00 0.00 62.75 60.27 1n78 n ILE 244 Cb 0.33 -0.16 -0.11 0.00 0.54 0.00 0.00 39.64 40.24 1n78 n ILE 244 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 1n78 s SER 245 N 0.68 1.00 0.66 9.51 1.04 -1.26 -4.91 113.70 120.42 1n78 s SER 245 Ca 0.94 -0.74 0.41 0.00 0.48 0.00 0.00 55.95 57.04 1n78 s SER 245 Cb -1.30 0.06 2.27 0.00 0.10 0.00 0.00 66.02 67.15 1n78 s SER 245 CO 0.62 -0.31 2.30 0.07 0.98 0.00 0.00 173.24 176.91 1n78 h LYS 246 N 3.87 0.00 0.08 4.02 2.10 -1.94 -1.01 116.57 123.69 1n78 h LYS 246 Ca -0.36 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 57.98 1n78 h LYS 246 Cb 1.19 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.49 1n78 h LYS 246 CO 0.50 0.00 -1.68 0.00 -2.00 0.00 0.00 179.45 176.27 1n78 h ARG 247 N 0.00 0.16 0.00 0.07 3.08 -2.00 -3.38 114.38 112.31 1n78 h ARG 247 Ca 0.00 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1n78 h ARG 247 Cb 0.10 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1n78 h ARG 247 CO -0.00 0.93 -0.84 1.63 -1.07 0.00 0.00 179.97 180.62 1n78 n LYS 248 N -3.32 0.03 -3.93 0.04 5.02 -0.93 -4.99 118.16 110.07 1n78 n LYS 248 Ca -0.20 -0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.00 1n78 n LYS 248 Cb 1.04 -1.51 -0.03 0.00 -0.02 0.00 0.00 35.03 34.52 1n78 n LYS 248 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1n78 s SER 249 N -3.09 0.03 -0.39 4.39 0.01 -0.43 -4.69 113.70 109.53 1n78 s SER 249 Ca 0.09 -0.97 -0.19 0.00 1.31 0.00 0.00 55.95 56.19 1n78 s SER 249 Cb 0.16 0.69 0.01 0.00 0.21 0.00 0.00 66.02 67.10 1n78 s SER 249 CO 0.80 -1.34 0.53 -1.00 0.41 0.00 0.00 173.24 172.65 1n78 s HIS 250 N -3.48 3.14 -1.27 2.43 3.76 -1.26 -4.17 115.29 114.44 1n78 s HIS 250 Ca 0.19 -0.04 0.18 0.00 -0.15 0.00 0.00 55.06 55.25 1n78 s HIS 250 Cb -0.03 -3.04 -0.11 0.00 1.11 0.00 0.00 32.58 30.51 1n78 s HIS 250 CO 0.11 -0.68 0.86 0.25 -0.85 0.00 0.00 174.74 174.42 1n78 n THR 251 N 5.56 0.00 -2.97 1.30 -2.24 -1.26 -4.93 114.28 109.74 1n78 n THR 251 Ca -0.04 -0.18 -0.42 0.00 -2.27 0.00 0.00 64.05 61.14 1n78 n THR 251 Cb 0.48 1.11 -0.05 0.00 -2.10 0.00 0.00 70.33 69.77 1n78 n THR 251 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1n78 s SER 252 N -2.44 6.66 0.54 3.42 0.15 -1.26 -0.55 113.70 120.21 1n78 s SER 252 Ca 0.11 0.68 0.25 0.00 0.70 0.00 0.00 55.95 57.69 1n78 s SER 252 Cb 0.14 -2.40 1.43 0.00 -1.71 0.00 0.00 66.02 63.49 1n78 s SER 252 CO 0.62 -0.57 2.03 -0.07 1.20 0.00 0.00 173.24 176.44 1n78 h LEU 253 N 9.36 0.00 -1.29 3.45 3.38 -1.34 0.15 115.31 129.03 1n78 h LEU 253 Ca -0.25 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 1n78 h LEU 253 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1n78 h LEU 253 CO 0.87 0.00 -0.34 0.44 0.09 0.00 0.00 178.44 179.49 1n78 h ASP 254 N 0.00 0.00 -0.52 -0.43 3.45 -1.92 -2.58 116.42 114.43 1n78 h ASP 254 Ca 0.19 0.00 -0.11 0.00 0.43 0.00 0.00 57.03 57.54 1n78 h ASP 254 Cb 0.81 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.56 1n78 h ASP 254 CO -0.00 0.34 -0.09 -0.25 -1.57 0.00 0.00 179.24 177.67 1n78 h TRP 255 N 0.00 1.09 -0.42 4.55 7.01 -1.09 -0.45 115.95 126.64 1n78 h TRP 255 Ca -0.00 -0.22 -0.04 0.00 2.11 0.00 0.00 58.89 60.74 1n78 h TRP 255 Cb 0.66 -0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 27.44 1n78 h TRP 255 CO 0.00 1.02 0.11 1.88 -2.79 0.00 0.00 178.44 178.66 1n78 h TYR 256 N 0.84 0.70 -0.45 2.65 -1.99 -1.46 -0.34 116.97 116.92 1n78 h TYR 256 Ca 0.14 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.79 1n78 h TYR 256 Cb 0.65 -0.20 -0.02 0.00 2.00 0.00 0.00 36.73 39.15 1n78 h TYR 256 CO 0.05 0.65 0.28 -0.22 -0.00 0.00 0.00 178.16 178.93 1n78 h LYS 257 N 0.55 0.60 0.00 4.88 3.64 -1.32 -1.93 116.57 122.99 1n78 h LYS 257 Ca 0.13 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1n78 h LYS 257 Cb 0.30 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1n78 h LYS 257 CO -0.00 0.42 -0.20 0.00 -2.27 0.00 0.00 179.45 177.40 1n78 h ALA 258 N 1.14 1.51 -0.15 5.00 0.00 -0.77 -2.76 119.26 123.23 1n78 h ALA 258 Ca 0.16 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1n78 h ALA 258 Cb -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1n78 h ALA 258 CO -0.03 0.25 0.00 0.39 0.00 0.00 0.00 179.25 179.86 1n78 n GLU 259 N -4.07 1.59 -0.82 0.00 4.71 -0.17 -4.92 120.64 116.96 1n78 n GLU 259 Ca -0.02 -0.89 0.00 0.00 -0.01 0.00 0.00 57.16 56.24 1n78 n GLU 259 Cb 0.27 -1.35 0.00 0.00 -1.01 0.00 0.00 31.44 29.35 1n78 n GLU 259 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1n78 n GLY 260 N 1.05 0.65 3.78 0.62 0.00 -1.04 -4.16 105.19 106.09 1n78 n GLY 260 Ca 0.15 -0.71 -0.38 0.00 0.00 0.00 0.00 46.02 45.07 1n78 n GLY 260 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n78 s PHE 261 N -2.00 3.69 0.21 1.61 0.40 -0.77 -1.04 117.98 120.08 1n78 s PHE 261 Ca 0.00 1.14 -0.30 0.00 -0.60 0.00 0.00 56.93 57.17 1n78 s PHE 261 Cb 0.00 -2.53 -0.08 0.00 0.51 0.00 0.00 43.02 40.92 1n78 s PHE 261 CO 0.00 0.42 1.10 -0.51 0.70 0.00 0.00 175.22 176.93 1n78 s LEU 262 N -0.38 4.51 0.36 -0.37 1.43 -1.26 -4.54 118.68 118.43 1n78 s LEU 262 Ca 0.29 2.15 0.05 0.00 -1.03 0.00 0.00 54.13 55.58 1n78 s LEU 262 Cb -0.18 -3.61 0.69 0.00 0.03 0.00 0.00 46.19 43.13 1n78 s LEU 262 CO 0.16 -0.20 1.97 1.55 0.23 0.00 0.00 176.35 180.06 1n78 h PRO 263 N 4.70 0.62 -0.75 1.29 0.13 -1.94 -2.11 132.00 133.94 1n78 h PRO 263 Ca -0.45 -0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 64.57 1n78 h PRO 263 Cb 1.21 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 32.19 1n78 h PRO 263 CO 0.71 0.49 0.30 0.93 -0.23 0.00 0.00 178.00 180.20 1n78 h GLU 264 N 0.62 1.12 -0.23 0.86 3.07 -1.87 -1.37 114.58 116.79 1n78 h GLU 264 Ca 0.16 -0.20 -0.05 0.00 -0.50 0.00 0.00 59.36 58.76 1n78 h GLU 264 Cb 0.08 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 1n78 h GLU 264 CO -0.02 0.91 -0.07 0.00 -1.40 0.00 0.00 179.01 178.43 1n78 h ALA 265 N 1.15 0.31 -0.70 3.43 0.00 -1.81 -1.59 119.26 120.05 1n78 h ALA 265 Ca 0.25 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1n78 h ALA 265 Cb 0.21 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1n78 h ALA 265 CO -0.02 0.12 0.42 1.25 0.00 0.00 0.00 179.25 181.02 1n78 h LEU 266 N 0.17 0.67 -0.25 0.00 6.46 -1.31 0.35 115.31 121.39 1n78 h LEU 266 Ca 0.06 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 1n78 h LEU 266 Cb 0.54 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.33 1n78 h LEU 266 CO 0.03 0.45 0.12 -0.09 -0.62 0.00 0.00 178.44 178.32 1n78 h ARG 267 N 0.80 0.36 -0.80 1.25 2.43 -1.20 -0.66 114.38 116.57 1n78 h ARG 267 Ca 0.30 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1n78 h ARG 267 Cb 0.10 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 1n78 h ARG 267 CO -0.14 0.37 0.48 -0.97 -1.51 0.00 0.00 179.97 178.19 1n78 h ASN 268 N 0.27 0.96 -0.66 -3.80 -0.00 -0.37 -1.30 115.58 110.68 1n78 h ASN 268 Ca 0.09 -0.07 -0.07 0.00 -0.00 0.00 0.00 56.30 56.25 1n78 h ASN 268 Cb 0.13 -0.24 -0.03 0.00 -0.00 0.00 0.00 38.32 38.18 1n78 h ASN 268 CO -0.01 0.74 0.14 0.22 -0.00 0.00 0.00 177.43 178.52 1n78 h TYR 269 N 1.09 1.13 -0.43 0.67 3.20 -0.07 -2.22 116.97 120.34 1n78 h TYR 269 Ca 0.29 -0.15 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 1n78 h TYR 269 Cb -0.04 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 37.90 1n78 h TYR 269 CO -0.01 0.94 0.18 -0.07 -1.64 0.00 0.00 178.16 177.56 1n78 h LEU 270 N 0.99 0.55 -1.83 2.82 4.07 -0.66 -1.58 115.31 119.68 1n78 h LEU 270 Ca 0.20 -0.06 -0.03 0.00 0.08 0.00 0.00 57.88 58.08 1n78 h LEU 270 Cb 0.40 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 41.99 1n78 h LEU 270 CO 0.01 0.49 -0.14 0.00 -1.08 0.00 0.00 178.44 177.72 1n78 n LEU 272 N -3.92 0.58 -4.54 0.00 7.99 -0.60 -3.91 117.00 112.60 1n78 n LEU 272 Ca -0.02 -0.06 -0.42 0.00 -0.01 0.00 0.00 56.01 55.50 1n78 n LEU 272 Cb 0.24 -0.15 -0.03 0.00 -0.11 0.00 0.00 43.42 43.37 1n78 n LEU 272 CO 0.32 0.11 1.03 -0.04 -1.51 0.00 0.00 177.39 177.30 1n78 s MET 273 N -2.40 3.29 -0.04 3.23 -1.94 -0.67 -3.78 119.30 116.98 1n78 s MET 273 Ca 0.30 -0.20 0.00 0.00 -1.71 0.00 0.00 55.69 54.09 1n78 s MET 273 Cb 0.20 -4.12 0.00 0.00 2.01 0.00 0.00 34.83 32.92 1n78 s MET 273 CO 0.46 -1.88 0.00 0.41 -0.01 0.00 0.00 175.02 174.00 1n78 n GLY 274 N 5.25 0.47 3.37 -0.03 0.00 -1.26 -4.99 105.19 107.99 1n78 n GLY 274 Ca 0.03 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 1n78 n GLY 274 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1n78 s PHE 275 N -1.93 -0.40 0.05 1.61 2.19 -1.25 -0.44 117.98 117.82 1n78 s PHE 275 Ca 0.00 0.63 -0.10 0.00 0.33 0.00 0.00 56.93 57.78 1n78 s PHE 275 Cb 0.00 0.25 0.01 0.00 -1.31 0.00 0.00 43.02 41.97 1n78 s PHE 275 CO 0.00 -0.51 0.22 -1.54 1.83 0.00 0.00 175.22 175.22 1n78 s SER 276 N -1.38 0.01 0.44 6.13 1.04 -1.19 -4.15 113.70 114.60 1n78 s SER 276 Ca -0.11 -0.38 -0.20 0.00 0.48 0.00 0.00 55.95 55.74 1n78 s SER 276 Cb -0.02 0.32 -0.10 0.00 0.10 0.00 0.00 66.02 66.31 1n78 s SER 276 CO 0.06 -0.61 0.94 -0.04 0.98 0.00 0.00 173.24 174.57 1n78 s MET 277 N -2.85 4.16 0.10 4.02 -1.94 -1.26 -4.88 119.30 116.66 1n78 s MET 277 Ca -0.03 1.06 -0.23 0.00 -1.71 0.00 0.00 55.69 54.77 1n78 s MET 277 Cb 0.00 -2.19 -0.10 0.00 2.01 0.00 0.00 34.83 34.55 1n78 s MET 277 CO -0.05 -0.06 1.70 -1.00 -0.01 0.00 0.00 175.02 175.59 1n78 h PRO 278 N 1.74 -0.15 0.00 2.03 0.13 -1.94 -1.62 132.00 132.19 1n78 h PRO 278 Ca -0.49 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1n78 h PRO 278 Cb 1.18 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1n78 h PRO 278 CO 0.61 -0.10 0.00 -0.40 -0.23 0.00 0.00 178.00 177.88 1n78 n ASP 279 N -5.21 0.00 0.00 1.44 3.85 -1.26 -4.88 116.55 110.49 1n78 n ASP 279 Ca -0.06 -1.08 0.00 0.00 -0.71 0.00 0.00 54.79 52.94 1n78 n ASP 279 Cb 0.13 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.90 1n78 n ASP 279 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1n78 n GLY 280 N 0.44 0.60 3.75 6.12 0.00 -0.61 -5.02 105.19 110.48 1n78 n GLY 280 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1n78 n GLY 280 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1n78 s ARG 281 N -0.29 3.03 -0.07 1.61 1.70 -1.26 -4.88 118.95 118.78 1n78 s ARG 281 Ca 0.00 1.84 0.13 0.00 -0.47 0.00 0.00 55.73 57.23 1n78 s ARG 281 Cb 0.00 -1.97 -0.19 0.00 -0.57 0.00 0.00 34.95 32.22 1n78 s ARG 281 CO 0.00 -1.16 0.18 0.39 -1.08 0.00 0.00 175.30 173.63 1n78 n GLU 282 N -1.50 1.12 -3.69 3.89 1.02 -1.26 -4.44 120.64 115.78 1n78 n GLU 282 Ca 0.13 -0.07 -0.37 0.00 -0.02 0.00 0.00 57.16 56.83 1n78 n GLU 282 Cb 0.49 -1.33 -0.12 0.00 -0.02 0.00 0.00 31.44 30.47 1n78 n GLU 282 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1n78 s ILE 283 N -2.65 4.75 0.16 -3.67 -1.09 -1.26 -4.94 121.20 112.51 1n78 s ILE 283 Ca -0.06 -0.02 -0.22 0.00 -2.23 0.00 0.00 60.65 58.13 1n78 s ILE 283 Cb 0.06 -3.24 0.06 0.00 -1.58 0.00 0.00 42.46 37.76 1n78 s ILE 283 CO 0.55 0.30 0.57 0.72 -1.23 0.00 0.00 174.94 175.85 1n78 s PHE 284 N 1.65 -0.46 0.77 3.97 -0.71 -1.26 -5.17 117.98 116.77 1n78 s PHE 284 Ca 0.07 0.21 -0.11 0.00 -1.04 0.00 0.00 56.93 56.06 1n78 s PHE 284 Cb -0.15 0.51 0.07 0.00 -1.21 0.00 0.00 43.02 42.23 1n78 s PHE 284 CO 0.07 -0.84 1.13 0.95 -1.34 0.00 0.00 175.22 175.18 1n78 s THR 285 N -3.77 2.27 0.27 -4.49 -4.23 -1.26 -4.86 115.64 99.57 1n78 s THR 285 Ca 0.02 -0.01 -0.03 0.00 -1.18 0.00 0.00 61.69 60.49 1n78 s THR 285 Cb -0.01 -3.07 0.17 0.00 1.34 0.00 0.00 72.50 70.94 1n78 s THR 285 CO -0.12 -0.08 1.84 0.25 -0.54 0.00 0.00 174.62 175.97 1n78 h LEU 286 N -0.89 0.89 -0.90 4.79 5.85 -1.98 -1.84 115.31 121.22 1n78 h LEU 286 Ca -0.46 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.06 1n78 h LEU 286 Cb 1.32 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 1n78 h LEU 286 CO 0.64 0.80 0.03 -0.33 -0.34 0.00 0.00 178.44 179.24 1n78 h GLU 287 N 0.94 0.84 -0.20 1.25 4.39 -2.00 -2.16 114.58 117.65 1n78 h GLU 287 Ca 0.22 -0.22 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 1n78 h GLU 287 Cb 0.20 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1n78 h GLU 287 CO -0.02 0.82 -0.33 0.93 -1.16 0.00 0.00 179.01 179.26 1n78 h GLU 288 N 0.79 0.41 0.29 2.33 5.08 -1.81 -2.26 114.58 119.40 1n78 h GLU 288 Ca 0.16 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1n78 h GLU 288 Cb 0.43 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1n78 h GLU 288 CO 0.02 0.69 -0.14 0.35 -1.00 0.00 0.00 179.01 178.93 1n78 h PHE 289 N 0.35 -0.36 -0.37 4.33 3.57 -0.83 -0.98 116.94 122.64 1n78 h PHE 289 Ca 0.04 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 1n78 h PHE 289 Cb 0.75 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.59 1n78 h PHE 289 CO 0.02 -0.16 -0.07 -0.84 -2.23 0.00 0.00 178.31 175.03 1n78 h ILE 290 N -0.48 1.23 -0.01 1.41 3.07 -1.37 0.18 117.51 121.54 1n78 h ILE 290 Ca -0.04 -1.01 -0.11 0.00 1.55 0.00 0.00 64.86 65.26 1n78 h ILE 290 Cb 0.36 1.03 -0.01 0.00 -0.27 0.00 0.00 36.82 37.92 1n78 h ILE 290 CO 0.07 0.34 -0.50 1.56 -1.05 0.00 0.00 178.15 178.57 1n78 h GLN 291 N 0.58 0.04 -0.01 0.16 4.20 -1.28 -2.98 115.11 115.82 1n78 h GLN 291 Ca 0.11 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1n78 h GLN 291 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1n78 h GLN 291 CO 0.03 0.53 -0.56 0.00 -0.67 0.00 0.00 178.83 178.15 1n78 n ALA 292 N -2.45 3.76 -1.78 3.87 0.00 -0.38 -4.98 120.51 118.54 1n78 n ALA 292 Ca -0.02 -0.55 -0.41 0.00 0.00 0.00 0.00 53.44 52.46 1n78 n ALA 292 Cb 0.52 -0.89 -0.01 0.00 0.00 0.00 0.00 19.45 19.07 1n78 n ALA 292 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1n78 s PHE 293 N -2.67 2.68 -0.28 0.00 5.36 0.59 -4.94 117.98 118.73 1n78 s PHE 293 Ca 0.16 1.04 -0.24 0.00 -0.96 0.00 0.00 56.93 56.94 1n78 s PHE 293 Cb 0.18 -4.02 0.09 0.00 -0.34 0.00 0.00 43.02 38.93 1n78 s PHE 293 CO 0.65 -3.14 0.84 -0.08 -1.46 0.00 0.00 175.22 172.03 1n78 s THR 294 N -0.70 0.00 0.31 0.12 -1.32 -1.26 -5.03 115.64 107.76 1n78 s THR 294 Ca 0.56 0.00 0.36 0.00 -1.21 0.00 0.00 61.69 61.41 1n78 s THR 294 Cb -0.46 -1.00 0.37 0.00 -1.51 0.00 0.00 72.50 69.90 1n78 s THR 294 CO 0.57 0.00 2.11 -0.50 -2.21 0.00 0.00 174.62 174.59 1n78 h TRP 295 N 4.93 0.00 0.00 9.09 4.06 -1.98 -1.53 115.95 130.53 1n78 h TRP 295 Ca -0.29 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.60 1n78 h TRP 295 Cb 1.17 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.32 1n78 h TRP 295 CO 0.32 0.00 -0.28 0.93 -3.56 0.00 0.00 178.44 175.86 1n78 h GLU 296 N 0.00 0.00 -0.26 0.49 3.07 -1.99 -2.74 114.58 113.15 1n78 h GLU 296 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1n78 h GLU 296 Cb 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1n78 h GLU 296 CO 0.00 0.28 0.00 0.54 -1.40 0.00 0.00 179.01 178.43 1n78 n ARG 297 N -4.05 1.83 -3.33 2.33 5.12 -0.58 -4.88 116.66 113.10 1n78 n ARG 297 Ca -0.02 -1.27 -0.38 0.00 -1.93 0.00 0.00 57.85 54.25 1n78 n ARG 297 Cb 0.34 -1.37 -0.06 0.00 -1.16 0.00 0.00 32.46 30.21 1n78 n ARG 297 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1n78 s VAL 298 N -1.66 5.18 -0.14 1.55 1.01 -1.04 -3.20 120.40 122.10 1n78 s VAL 298 Ca 0.30 0.87 -0.04 0.00 0.00 0.00 0.00 61.98 63.12 1n78 s VAL 298 Cb 0.16 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1n78 s VAL 298 CO 0.23 0.29 -0.01 -0.94 0.00 0.00 0.00 175.10 174.67 1n78 s SER 299 N 0.80 5.06 0.00 3.32 1.04 0.42 -4.98 113.70 119.36 1n78 s SER 299 Ca 0.23 -0.01 0.31 0.00 0.48 0.00 0.00 55.95 56.96 1n78 s SER 299 Cb -0.15 -1.70 1.66 0.00 0.10 0.00 0.00 66.02 65.92 1n78 s SER 299 CO 0.09 0.24 2.11 0.18 0.98 0.00 0.00 173.24 176.84 1n78 n LEU 300 N 3.10 0.01 -4.77 2.42 4.77 -1.26 -4.53 117.00 116.73 1n78 n LEU 300 Ca -0.18 0.18 -0.38 0.00 -0.03 0.00 0.00 56.01 55.60 1n78 n LEU 300 Cb 0.53 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.41 1n78 n LEU 300 CO 0.32 0.00 0.84 -0.83 -1.33 0.00 0.00 177.39 176.39 1n78 s GLY 301 N -2.37 2.87 -0.50 -0.72 0.00 -1.26 -4.69 107.32 100.64 1n78 s GLY 301 Ca 0.35 0.96 -0.27 0.00 0.00 0.00 0.00 44.72 45.77 1n78 s GLY 301 CO 0.43 1.48 1.81 -0.32 0.00 0.00 0.00 173.10 176.50 1n78 s GLY 302 N -1.12 0.45 0.24 0.20 0.00 -1.26 -4.81 107.32 101.03 1n78 s GLY 302 Ca 0.56 -0.31 -0.30 0.00 0.00 0.00 0.00 44.72 44.67 1n78 s GLY 302 CO 0.39 3.32 1.18 2.56 0.00 0.00 0.00 173.10 180.55 1n78 s PRO 303 N 6.44 4.53 -0.10 2.90 0.04 -1.26 -4.77 135.00 142.79 1n78 s PRO 303 Ca 0.71 1.90 -0.26 0.00 0.04 0.00 0.00 61.00 63.39 1n78 s PRO 303 Cb -0.16 -3.19 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 1n78 s PRO 303 CO 0.26 0.01 0.83 0.08 0.04 0.00 0.00 177.00 178.22 1n78 s VAL 304 N -0.63 4.93 -0.17 -0.36 1.01 -1.26 -0.28 120.40 123.63 1n78 s VAL 304 Ca 0.49 1.68 -0.29 0.00 0.00 0.00 0.00 61.98 63.86 1n78 s VAL 304 Cb -0.33 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 31.88 1n78 s VAL 304 CO 0.41 0.13 1.23 0.12 0.00 0.00 0.00 175.10 176.98 1n78 s PHE 305 N 1.45 2.93 -0.51 5.22 2.19 -0.74 -4.89 117.98 123.63 1n78 s PHE 305 Ca 0.41 1.08 -0.07 0.00 0.33 0.00 0.00 56.93 58.68 1n78 s PHE 305 Cb -0.18 -3.47 0.13 0.00 -1.31 0.00 0.00 43.02 38.20 1n78 s PHE 305 CO 0.18 -1.51 0.36 0.34 1.83 0.00 0.00 175.22 176.42 1n78 s ASP 306 N 1.85 5.60 0.36 6.13 3.68 -1.26 -4.70 116.67 128.32 1n78 s ASP 306 Ca 0.53 -2.16 0.14 0.00 2.13 0.00 0.00 52.55 53.19 1n78 s ASP 306 Cb -0.21 -1.96 0.98 0.00 -1.45 0.00 0.00 42.92 40.29 1n78 s ASP 306 CO 0.13 -0.60 1.76 -0.07 0.13 0.00 0.00 175.17 176.52 1n78 h LEU 307 N 8.07 0.57 -0.56 -1.34 3.38 -1.99 -0.46 115.31 122.99 1n78 h LEU 307 Ca -0.14 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1n78 h LEU 307 Cb 1.04 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1n78 h LEU 307 CO 0.79 0.11 0.21 -0.08 0.09 0.00 0.00 178.44 179.57 1n78 h GLU 308 N 0.51 0.84 -0.13 1.13 4.57 -1.99 0.13 114.58 119.64 1n78 h GLU 308 Ca 0.61 -0.16 -0.16 0.00 -1.18 0.00 0.00 59.36 58.48 1n78 h GLU 308 Cb 1.33 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.78 1n78 h GLU 308 CO -0.37 0.74 -0.58 -0.22 -1.18 0.00 0.00 179.01 177.39 1n78 h LYS 309 N 0.76 0.42 -0.07 1.92 3.11 -1.56 -1.80 116.57 119.34 1n78 h LYS 309 Ca 0.18 -0.27 -0.00 0.00 -2.81 0.00 0.00 60.65 57.75 1n78 h LYS 309 Cb 0.22 0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 31.48 1n78 h LYS 309 CO -0.01 0.88 0.03 1.25 -2.81 0.00 0.00 179.45 178.78 1n78 h LEU 310 N 0.31 0.09 -1.09 5.20 6.46 -0.90 -0.33 115.31 125.05 1n78 h LEU 310 Ca -0.00 -0.15 0.05 0.00 -0.12 0.00 0.00 57.88 57.65 1n78 h LEU 310 Cb 1.11 -0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 40.95 1n78 h LEU 310 CO 0.10 0.22 0.62 0.03 -0.62 0.00 0.00 178.44 178.79 1n78 h ARG 311 N -0.04 1.11 -0.49 1.25 3.08 -0.67 0.32 114.38 118.93 1n78 h ARG 311 Ca 0.02 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1n78 h ARG 311 Cb 0.16 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 1n78 h ARG 311 CO -0.00 0.73 0.27 2.35 -1.07 0.00 0.00 179.97 182.25 1n78 h TRP 312 N 1.14 0.68 -0.64 3.04 7.01 -0.85 -1.29 115.95 125.05 1n78 h TRP 312 Ca 0.39 -0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.30 1n78 h TRP 312 Cb 0.09 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 26.91 1n78 h TRP 312 CO -0.00 0.51 0.10 1.98 -2.79 0.00 0.00 178.44 178.24 1n78 h MET 313 N 0.65 1.04 -0.69 2.65 4.05 0.24 -0.56 114.93 122.31 1n78 h MET 313 Ca 0.17 -0.27 0.01 0.00 -0.28 0.00 0.00 59.70 59.34 1n78 h MET 313 Cb 0.05 -0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 30.69 1n78 h MET 313 CO -0.03 0.95 0.45 -0.97 0.23 0.00 0.00 176.91 177.55 1n78 h ASN 314 N 0.98 0.78 -0.02 1.39 -1.24 0.06 -0.59 115.58 116.94 1n78 h ASN 314 Ca 0.20 -0.02 -0.10 0.00 0.71 0.00 0.00 56.30 57.09 1n78 h ASN 314 Cb 0.42 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.26 1n78 h ASN 314 CO 0.01 0.56 -0.27 1.23 -1.29 0.00 0.00 177.43 177.68 1n78 h GLY 315 N 0.92 0.49 1.00 1.57 0.00 -0.93 -1.76 103.07 104.37 1n78 h GLY 315 Ca 0.25 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 1n78 h GLY 315 CO -0.06 0.37 0.39 1.70 0.00 0.00 0.00 176.54 178.94 1n78 h LYS 316 N 0.40 0.85 -0.20 4.80 1.63 0.05 -1.98 116.57 122.11 1n78 h LYS 316 Ca 0.06 -0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 59.76 1n78 h LYS 316 Cb 0.68 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.12 1n78 h LYS 316 CO 0.05 0.59 0.03 1.88 -3.45 0.00 0.00 179.45 178.55 1n78 h TYR 317 N 0.85 0.36 -0.81 1.91 0.05 -0.82 0.07 116.97 118.59 1n78 h TYR 317 Ca 0.23 -0.05 0.13 0.00 0.05 0.00 0.00 58.73 59.09 1n78 h TYR 317 Cb -0.05 -0.10 -0.06 0.00 1.01 0.00 0.00 36.73 37.53 1n78 h TYR 317 CO -0.02 0.49 0.53 0.82 -1.05 0.00 0.00 178.16 178.93 1n78 h ILE 318 N 0.13 0.86 0.00 -2.88 2.04 -1.08 -0.41 117.51 116.16 1n78 h ILE 318 Ca 0.06 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1n78 h ILE 318 Cb 0.32 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1n78 h ILE 318 CO 0.00 0.11 -0.86 -2.11 0.00 0.00 0.00 178.15 175.29 1n78 n ARG 319 N -4.52 1.36 0.00 2.37 1.85 -0.77 -4.65 116.66 112.31 1n78 n ARG 319 Ca 0.15 -0.01 0.00 0.00 -1.00 0.00 0.00 57.85 56.99 1n78 n ARG 319 Cb 0.44 -1.31 0.00 0.00 -1.05 0.00 0.00 32.46 30.55 1n78 n ARG 319 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1n78 n GLU 320 N -1.44 2.24 -0.13 2.89 1.02 -0.00 -4.92 120.64 120.30 1n78 n GLU 320 Ca 0.03 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.91 1n78 n GLU 320 Cb 0.28 -0.83 -0.09 0.00 -0.02 0.00 0.00 31.44 30.78 1n78 n GLU 320 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1n78 n VAL 321 N -1.14 1.46 -1.85 2.62 0.31 -0.23 -4.98 118.33 114.52 1n78 n VAL 321 Ca 0.00 -0.30 -0.31 0.00 -0.01 0.00 0.00 64.34 63.72 1n78 n VAL 321 Cb 0.10 -1.92 0.02 0.00 -0.91 0.00 0.00 33.84 31.13 1n78 n VAL 321 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1n78 s LEU 322 N -7.50 3.14 0.54 7.52 1.43 -0.82 -5.06 118.68 117.93 1n78 s LEU 322 Ca -0.36 1.36 -0.04 0.00 -1.03 0.00 0.00 54.13 54.07 1n78 s LEU 322 Cb 0.13 -4.34 0.00 0.00 0.03 0.00 0.00 46.19 42.02 1n78 s LEU 322 CO 0.46 -1.03 0.82 -0.94 0.23 0.00 0.00 176.35 175.89 1n78 s SER 323 N -4.20 5.67 0.22 2.29 1.04 -1.26 -4.82 113.70 112.64 1n78 s SER 323 Ca 0.56 0.55 -0.08 0.00 0.48 0.00 0.00 55.95 57.46 1n78 s SER 323 Cb -0.11 -1.63 0.31 0.00 0.10 0.00 0.00 66.02 64.69 1n78 s SER 323 CO 0.54 -0.94 1.76 0.25 0.98 0.00 0.00 173.24 175.83 1n78 h LEU 324 N 0.03 0.35 -0.52 2.42 6.46 -1.97 -1.23 115.31 120.85 1n78 h LEU 324 Ca -0.46 0.07 0.01 0.00 -0.12 0.00 0.00 57.88 57.38 1n78 h LEU 324 Cb 1.26 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 41.18 1n78 h LEU 324 CO 0.59 0.20 0.34 -0.33 -0.62 0.00 0.00 178.44 178.62 1n78 h GLU 325 N 0.51 0.67 -0.32 1.25 3.07 -1.96 -0.23 114.58 117.56 1n78 h GLU 325 Ca 0.33 -0.04 -0.13 0.00 -0.50 0.00 0.00 59.36 59.02 1n78 h GLU 325 Cb 0.38 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 1n78 h GLU 325 CO -0.29 0.44 -0.31 0.93 -1.40 0.00 0.00 179.01 178.39 1n78 h GLU 326 N 0.69 0.70 -0.68 2.33 4.39 -1.78 -1.65 114.58 118.58 1n78 h GLU 326 Ca 0.19 -0.32 -0.06 0.00 0.34 0.00 0.00 59.36 59.52 1n78 h GLU 326 Cb -0.07 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 1n78 h GLU 326 CO -0.05 0.92 0.19 0.28 -1.16 0.00 0.00 179.01 179.19 1n78 h VAL 327 N 0.59 1.25 -0.49 3.13 2.07 -0.95 -1.48 116.25 120.37 1n78 h VAL 327 Ca 0.07 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 1n78 h VAL 327 Cb 0.82 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1n78 h VAL 327 CO 0.07 0.35 0.16 0.00 0.02 0.00 0.00 177.57 178.17 1n78 h ALA 328 N 1.19 1.37 -0.04 1.67 0.00 -0.56 -1.93 119.26 120.96 1n78 h ALA 328 Ca 0.22 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 1n78 h ALA 328 Cb 0.32 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1n78 h ALA 328 CO -0.00 0.47 -0.63 0.93 0.00 0.00 0.00 179.25 180.01 1n78 h GLU 329 N 0.71 0.51 0.00 0.00 4.39 -1.00 -3.25 114.58 115.93 1n78 h GLU 329 Ca 0.17 -0.48 -0.02 0.00 0.34 0.00 0.00 59.36 59.37 1n78 h GLU 329 Cb 0.19 0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1n78 h GLU 329 CO -0.01 1.12 -0.08 0.00 -1.16 0.00 0.00 179.01 178.88 1n78 h ARG 330 N 0.07 0.00 0.00 2.33 3.08 -1.05 -2.48 114.38 116.33 1n78 h ARG 330 Ca -0.07 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.81 1n78 h ARG 330 Cb 1.31 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.33 1n78 h ARG 330 CO 0.13 0.08 -0.82 0.28 -1.07 0.00 0.00 179.97 178.57 1n78 h VAL 331 N 0.00 1.57 -0.53 2.04 2.07 -1.39 -3.38 116.25 116.63 1n78 h VAL 331 Ca -0.00 -2.75 0.10 0.00 0.82 0.00 0.00 66.70 64.87 1n78 h VAL 331 Cb 0.30 2.49 -0.11 0.00 -1.52 0.00 0.00 31.29 32.46 1n78 h VAL 331 CO 0.01 0.79 -0.26 0.11 0.02 0.00 0.00 177.57 178.24 1n78 h LYS 332 N 0.01 -0.13 0.00 1.57 1.57 -1.50 -0.48 116.57 117.62 1n78 h LYS 332 Ca -0.01 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1n78 h LYS 332 Cb 1.44 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.78 1n78 h LYS 332 CO 0.11 -0.08 -0.01 -1.00 -0.57 0.00 0.00 179.45 177.90 1n78 h PRO 333 N -0.13 0.00 0.00 3.15 0.13 -1.76 -1.34 132.00 132.05 1n78 h PRO 333 Ca 0.24 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.18 1n78 h PRO 333 Cb 0.51 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.61 1n78 h PRO 333 CO -0.61 0.01 -0.99 0.74 -0.23 0.00 0.00 178.00 176.92 1n78 h PHE 334 N 0.00 0.00 -0.08 1.56 0.04 -1.34 -1.95 116.94 115.17 1n78 h PHE 334 Ca -0.00 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.58 1n78 h PHE 334 Cb 0.03 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.19 1n78 h PHE 334 CO 0.00 0.85 -0.69 -0.07 -0.60 0.00 0.00 178.31 177.80 1n78 h LEU 335 N 0.00 0.74 -0.95 1.54 3.38 -0.88 -2.39 115.31 116.75 1n78 h LEU 335 Ca -0.05 -0.68 -0.01 0.00 0.09 0.00 0.00 57.88 57.23 1n78 h LEU 335 Cb 1.69 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 42.18 1n78 h LEU 335 CO 0.10 1.31 0.54 0.03 0.09 0.00 0.00 178.44 180.50 1n78 h ARG 336 N 0.23 1.27 -0.05 1.13 3.08 -1.30 -0.56 114.38 118.18 1n78 h ARG 336 Ca -0.06 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 59.79 1n78 h ARG 336 Cb 1.34 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 1n78 h ARG 336 CO 0.14 0.90 -0.27 1.49 -1.07 0.00 0.00 179.97 181.17 1n78 h GLU 337 N 1.28 0.08 -0.01 0.04 4.81 -1.33 -1.94 114.58 117.52 1n78 h GLU 337 Ca 0.33 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1n78 h GLU 337 Cb -0.02 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1n78 h GLU 337 CO -0.06 0.35 -0.08 0.00 -0.73 0.00 0.00 179.01 178.49 1n78 n ALA 338 N -2.48 2.73 -1.04 2.92 0.00 -0.51 -4.91 120.51 117.22 1n78 n ALA 338 Ca -0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 53.44 53.11 1n78 n ALA 338 Cb 0.34 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.45 1n78 n ALA 338 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n78 n GLY 339 N 1.21 0.52 3.82 0.00 0.00 -0.73 -5.03 105.19 104.97 1n78 n GLY 339 Ca 0.17 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 1n78 n GLY 339 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n78 s LEU 340 N -0.33 3.97 0.31 0.99 1.43 -0.34 -5.01 118.68 119.70 1n78 s LEU 340 Ca 0.00 0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.23 1n78 s LEU 340 Cb 0.00 -2.59 -0.06 0.00 0.03 0.00 0.00 46.19 43.56 1n78 s LEU 340 CO 0.00 0.18 0.03 -0.94 0.23 0.00 0.00 176.35 175.85 1n78 s SER 341 N -2.35 2.47 -0.03 2.29 1.04 -1.26 -3.86 113.70 112.01 1n78 s SER 341 Ca 0.30 -1.32 0.06 0.00 0.48 0.00 0.00 55.95 55.47 1n78 s SER 341 Cb -0.12 -0.11 -0.01 0.00 0.10 0.00 0.00 66.02 65.88 1n78 s SER 341 CO 0.23 -0.54 -0.20 -1.66 0.98 0.00 0.00 173.24 172.05 1n78 s TRP 342 N -3.22 1.88 0.40 5.02 -2.14 -1.26 -4.82 118.94 114.80 1n78 s TRP 342 Ca 0.34 -0.43 0.08 0.00 2.66 0.00 0.00 56.10 58.75 1n78 s TRP 342 Cb 0.08 -1.23 0.84 0.00 -3.10 0.00 0.00 33.47 30.06 1n78 s TRP 342 CO 0.14 -0.09 2.01 1.05 -2.66 0.00 0.00 176.95 177.40 1n78 h GLU 343 N 5.85 0.42 -2.93 3.25 4.11 -1.96 -3.47 114.58 119.86 1n78 h GLU 343 Ca -0.36 -0.05 0.03 0.00 0.07 0.00 0.00 59.36 59.04 1n78 h GLU 343 Cb 1.15 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 1n78 h GLU 343 CO 0.48 0.36 0.30 -1.54 0.07 0.00 0.00 179.01 178.68 1n78 s SER 344 N -6.77 -0.06 0.09 3.06 1.04 -1.26 -5.02 113.70 104.78 1n78 s SER 344 Ca -0.07 -0.96 -0.14 0.00 0.48 0.00 0.00 55.95 55.26 1n78 s SER 344 Cb 0.17 0.78 -0.14 0.00 0.10 0.00 0.00 66.02 66.92 1n78 s SER 344 CO 0.73 -1.52 1.32 -0.33 0.98 0.00 0.00 173.24 174.42 1n78 h GLU 345 N 2.00 0.73 -0.58 4.02 4.39 -1.99 -2.28 114.58 120.87 1n78 h GLU 345 Ca -0.29 -0.53 0.00 0.00 0.34 0.00 0.00 59.36 58.88 1n78 h GLU 345 Cb 1.25 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.96 1n78 h GLU 345 CO 0.36 1.15 0.37 0.00 -1.16 0.00 0.00 179.01 179.73 1n78 h ALA 346 N 0.57 0.74 0.37 3.43 0.00 -1.99 -0.75 119.26 121.62 1n78 h ALA 346 Ca -0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1n78 h ALA 346 Cb 1.21 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1n78 h ALA 346 CO 0.13 0.20 -0.18 -0.92 0.00 0.00 0.00 179.25 178.47 1n78 h TYR 347 N 0.78 -0.46 -0.43 0.00 3.20 -1.95 -2.14 116.97 115.98 1n78 h TYR 347 Ca 0.21 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.15 1n78 h TYR 347 Cb -0.05 0.15 -0.07 0.00 1.54 0.00 0.00 36.73 38.30 1n78 h TYR 347 CO -0.03 -0.24 -0.01 1.25 -1.64 0.00 0.00 178.16 177.49 1n78 h LEU 348 N -0.58 -0.20 -0.85 2.82 5.85 -1.22 0.33 115.31 121.46 1n78 h LEU 348 Ca -0.05 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.84 1n78 h LEU 348 Cb 0.43 0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 1n78 h LEU 348 CO 0.08 -0.06 0.53 -0.09 -0.34 0.00 0.00 178.44 178.56 1n78 h ARG 349 N 0.10 0.93 -0.38 1.25 2.43 -1.05 0.23 114.38 117.90 1n78 h ARG 349 Ca 0.21 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 59.19 1n78 h ARG 349 Cb 0.31 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1n78 h ARG 349 CO -0.36 0.62 -0.30 -0.09 -1.51 0.00 0.00 179.97 178.32 1n78 h ARG 350 N 0.96 0.83 -0.37 0.20 9.65 -0.60 0.28 114.38 125.34 1n78 h ARG 350 Ca 0.37 -0.39 -0.07 0.00 -1.10 0.00 0.00 59.98 58.80 1n78 h ARG 350 Cb 0.17 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.73 1n78 h ARG 350 CO -0.17 1.02 -0.03 0.00 2.80 0.00 0.00 179.97 183.59 1n78 h ALA 351 N 0.95 0.51 -0.63 2.80 0.00 -0.20 -2.00 119.26 120.68 1n78 h ALA 351 Ca 0.08 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1n78 h ALA 351 Cb 0.85 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1n78 h ALA 351 CO 0.07 0.31 0.27 0.28 0.00 0.00 0.00 179.25 180.18 1n78 h VAL 352 N 0.49 1.22 -0.15 0.00 2.07 -0.42 -2.49 116.25 116.97 1n78 h VAL 352 Ca 0.10 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 1n78 h VAL 352 Cb 0.51 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1n78 h VAL 352 CO 0.03 0.27 0.04 -0.08 0.02 0.00 0.00 177.57 177.84 1n78 h GLU 353 N 0.90 0.23 0.00 1.57 4.81 -0.56 -0.31 114.58 121.22 1n78 h GLU 353 Ca 0.22 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1n78 h GLU 353 Cb 0.15 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 1n78 h GLU 353 CO -0.02 0.38 -0.10 -0.07 -0.73 0.00 0.00 179.01 178.47 1n78 h LEU 354 N 0.04 0.00 0.00 1.64 3.38 -1.24 -3.02 115.31 116.11 1n78 h LEU 354 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1n78 h LEU 354 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1n78 h LEU 354 CO -0.00 0.10 -0.89 0.80 0.09 0.00 0.00 178.44 178.54 1n78 n MET 355 N -4.00 0.01 -0.30 1.13 1.56 -0.95 -4.63 117.12 109.95 1n78 n MET 355 Ca -0.02 -0.00 0.11 0.00 -0.27 0.00 0.00 57.70 57.51 1n78 n MET 355 Cb 0.18 -1.50 0.28 0.00 2.15 0.00 0.00 33.22 34.33 1n78 n MET 355 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1n78 h ARG 356 N 0.00 0.45 -0.46 2.12 3.08 -0.92 0.16 114.38 118.80 1n78 h ARG 356 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1n78 h ARG 356 Cb 0.51 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1n78 h ARG 356 CO 0.00 0.30 0.00 -0.35 -1.07 0.00 0.00 179.97 178.85 1n78 n PRO 357 N -5.00 1.82 -0.03 0.04 -0.04 -1.26 -4.02 135.00 126.51 1n78 n PRO 357 Ca 0.20 -0.93 0.02 0.00 -0.04 0.00 0.00 63.50 62.75 1n78 n PRO 357 Cb 0.58 -1.39 0.04 0.00 -0.04 0.00 0.00 33.50 32.69 1n78 n PRO 357 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1n78 n ARG 358 N 0.21 2.72 -3.75 0.54 1.74 0.55 -5.02 116.66 113.66 1n78 n ARG 358 Ca 0.08 -1.73 -0.13 0.00 -0.77 0.00 0.00 57.85 55.31 1n78 n ARG 358 Cb 0.33 -1.11 -0.10 0.00 -1.02 0.00 0.00 32.46 30.56 1n78 n ARG 358 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1n78 s PHE 359 N -1.32 -0.40 -0.81 -1.55 -0.12 -1.23 -4.99 117.98 107.55 1n78 s PHE 359 Ca 0.07 0.98 0.19 0.00 -0.05 0.00 0.00 56.93 58.13 1n78 s PHE 359 Cb 0.06 0.14 -0.22 0.00 -0.63 0.00 0.00 43.02 42.37 1n78 s PHE 359 CO 0.02 -0.20 0.78 -0.25 -0.05 0.00 0.00 175.22 175.52 1n78 n ASP 360 N 2.92 0.86 -4.10 1.98 8.00 -1.26 -4.74 116.55 120.21 1n78 n ASP 360 Ca -0.13 -0.85 -0.13 0.00 0.71 0.00 0.00 54.79 54.38 1n78 n ASP 360 Cb 0.57 1.10 -0.11 0.00 -0.02 0.00 0.00 41.12 42.66 1n78 n ASP 360 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1n78 s THR 361 N -2.87 0.66 0.54 -3.53 -4.23 -1.26 -3.18 115.64 101.76 1n78 s THR 361 Ca 0.06 -1.31 0.27 0.00 -1.18 0.00 0.00 61.69 59.53 1n78 s THR 361 Cb 0.14 -0.92 0.32 0.00 1.34 0.00 0.00 72.50 73.39 1n78 s THR 361 CO 0.79 -0.48 2.20 -0.07 -0.54 0.00 0.00 174.62 176.52 1n78 h LEU 362 N 4.10 0.00 -0.84 4.79 3.38 -1.32 -1.61 115.31 123.80 1n78 h LEU 362 Ca -0.36 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.49 1n78 h LEU 362 Cb 1.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1n78 h LEU 362 CO 0.46 0.03 -0.57 0.50 0.09 0.00 0.00 178.44 178.96 1n78 h LYS 363 N 0.00 0.03 0.00 1.13 3.64 -1.78 -3.01 116.57 116.58 1n78 h LYS 363 Ca -0.00 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 1n78 h LYS 363 Cb 0.08 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1n78 h LYS 363 CO 0.00 0.59 -0.34 0.93 -2.27 0.00 0.00 179.45 178.36 1n78 h GLU 364 N 0.02 0.00 0.05 1.90 5.08 -1.61 -3.31 114.58 116.71 1n78 h GLU 364 Ca -0.01 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1n78 h GLU 364 Cb 1.01 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 1n78 h GLU 364 CO 0.08 0.34 -0.20 0.35 -1.00 0.00 0.00 179.01 178.58 1n78 h PHE 365 N 0.00 -0.52 0.00 4.33 3.57 -1.57 0.36 116.94 123.11 1n78 h PHE 365 Ca -0.00 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 1n78 h PHE 365 Cb 0.76 0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.72 1n78 h PHE 365 CO 0.00 -0.28 -0.14 -1.35 -2.23 0.00 0.00 178.31 174.30 1n78 h PRO 366 N -0.34 0.00 0.03 6.41 0.11 -1.75 -0.83 132.00 135.62 1n78 h PRO 366 Ca 0.04 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.15 1n78 h PRO 366 Cb 0.40 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.51 1n78 h PRO 366 CO -0.15 0.14 -0.01 0.93 -0.21 0.00 0.00 178.00 178.70 1n78 h GLU 367 N 0.00 -0.03 0.00 1.05 5.08 -1.45 -2.90 114.58 116.33 1n78 h GLU 367 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1n78 h GLU 367 Cb 0.43 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1n78 h GLU 367 CO 0.02 0.69 0.00 0.87 -1.00 0.00 0.00 179.01 179.58 1n78 h LYS 368 N -0.87 0.00 0.00 2.33 1.57 -0.22 -3.29 116.57 116.09 1n78 h LYS 368 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1n78 h LYS 368 Cb 0.73 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1n78 h LYS 368 CO 0.01 0.00 -0.33 0.00 -0.57 0.00 0.00 179.45 178.56 1n78 n ALA 369 N -2.09 3.10 -0.34 3.86 0.00 -0.33 -4.80 120.51 119.91 1n78 n ALA 369 Ca 0.04 -3.00 0.07 0.00 0.00 0.00 0.00 53.44 50.54 1n78 n ALA 369 Cb 0.50 -0.37 0.23 0.00 0.00 0.00 0.00 19.45 19.80 1n78 n ALA 369 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1n78 h ARG 370 N 0.62 0.86 0.00 0.00 2.43 -1.58 -1.36 114.38 115.35 1n78 h ARG 370 Ca -0.01 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1n78 h ARG 370 Cb 1.03 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1n78 h ARG 370 CO 0.00 0.57 0.00 2.48 -1.51 0.00 0.00 179.97 181.51 1n78 n TYR 371 N -4.69 0.61 1.00 2.20 4.11 -1.26 -1.32 117.16 117.81 1n78 n TYR 371 Ca 0.18 0.30 0.12 0.00 -0.00 0.00 0.00 57.90 58.50 1n78 n TYR 371 Cb 0.36 -0.98 0.33 0.00 -0.00 0.00 0.00 39.34 39.05 1n78 n TYR 371 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 1n78 n LEU 372 N -2.11 0.40 0.00 -3.48 4.77 -0.51 -4.25 117.00 111.82 1n78 n LEU 372 Ca -0.01 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1n78 n LEU 372 Cb 0.06 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1n78 n LEU 372 CO 0.10 0.10 -0.28 0.49 -1.33 0.00 0.00 177.39 176.47 1n78 n PHE 373 N -1.49 0.00 -3.93 -1.77 3.72 -0.44 -5.04 117.46 108.51 1n78 n PHE 373 Ca 0.06 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.38 1n78 n PHE 373 Cb 0.34 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.79 1n78 n PHE 373 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 1n78 s THR 374 N -1.46 0.17 -0.68 4.37 -1.32 -0.80 -4.62 115.64 111.30 1n78 s THR 374 Ca 0.00 -1.37 0.25 0.00 -1.21 0.00 0.00 61.69 59.36 1n78 s THR 374 Cb 0.00 -1.36 0.11 0.00 -1.51 0.00 0.00 72.50 69.74 1n78 s THR 374 CO 0.00 -0.75 1.45 1.21 -2.21 0.00 0.00 174.62 174.32 1n78 n GLU 375 N 0.06 0.27 -2.48 7.08 4.07 -1.26 -4.46 120.64 123.92 1n78 n GLU 375 Ca -0.15 0.12 -0.43 0.00 -0.06 0.00 0.00 57.16 56.64 1n78 n GLU 375 Cb 0.62 -1.71 0.00 0.00 -0.06 0.00 0.00 31.44 30.29 1n78 n GLU 375 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1n78 n ASP 376 N -2.12 4.96 -4.24 4.31 4.64 -1.26 -4.96 116.55 117.87 1n78 n ASP 376 Ca 0.04 -3.02 -0.22 0.00 -1.38 0.00 0.00 54.79 50.21 1n78 n ASP 376 Cb 0.43 -1.56 -0.12 0.00 -1.04 0.00 0.00 41.12 38.83 1n78 n ASP 376 CO 0.00 0.00 0.00 -0.72 -0.82 0.00 0.00 177.20 175.66 1n78 s TYR 377 N 1.49 1.59 0.64 -0.67 1.13 -1.26 -4.93 117.35 115.34 1n78 s TYR 377 Ca 0.43 -0.43 -0.15 0.00 -1.41 0.00 0.00 57.07 55.51 1n78 s TYR 377 Cb 0.06 -0.88 -0.01 0.00 -1.10 0.00 0.00 41.96 40.02 1n78 s TYR 377 CO -0.00 0.15 1.10 -1.25 -2.51 0.00 0.00 175.55 173.04 1n78 s PRO 378 N -1.80 2.95 -0.26 -3.49 0.04 -1.26 -5.01 135.00 126.16 1n78 s PRO 378 Ca 0.04 1.37 0.02 0.00 0.04 0.00 0.00 61.00 62.47 1n78 s PRO 378 Cb -0.10 -1.97 0.07 0.00 0.04 0.00 0.00 34.50 32.54 1n78 s PRO 378 CO 0.03 -1.13 -0.07 0.08 0.04 0.00 0.00 177.00 175.95 1n78 s VAL 379 N -2.32 1.99 0.67 -0.36 1.01 -1.26 -4.56 120.40 115.58 1n78 s VAL 379 Ca 0.67 -1.61 -0.17 0.00 0.00 0.00 0.00 61.98 60.87 1n78 s VAL 379 Cb -0.20 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 33.99 1n78 s VAL 379 CO 0.39 -0.13 1.21 -0.94 0.00 0.00 0.00 175.10 175.64 1n78 s SER 380 N 1.16 4.68 0.17 3.32 1.04 -0.30 -4.84 113.70 118.93 1n78 s SER 380 Ca -0.05 2.37 -0.14 0.00 0.48 0.00 0.00 55.95 58.60 1n78 s SER 380 Cb -0.20 -2.59 0.06 0.00 0.10 0.00 0.00 66.02 63.39 1n78 s SER 380 CO -0.06 -1.94 1.83 -0.08 0.98 0.00 0.00 173.24 173.97 1n78 h GLU 381 N 0.26 0.69 -0.74 4.02 4.81 -1.99 -0.81 114.58 120.81 1n78 h GLU 381 Ca -0.49 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.67 1n78 h GLU 381 Cb 1.30 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 1n78 h GLU 381 CO 0.52 0.46 0.37 0.87 -0.73 0.00 0.00 179.01 180.50 1n78 h LYS 382 N 0.70 1.05 -0.06 1.92 1.79 -1.97 -1.56 116.57 118.43 1n78 h LYS 382 Ca 0.19 -0.14 -0.11 0.00 -2.18 0.00 0.00 60.65 58.41 1n78 h LYS 382 Cb -0.07 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.37 1n78 h LYS 382 CO -0.04 0.80 -0.48 0.00 -1.08 0.00 0.00 179.45 178.65 1n78 h ALA 383 N 1.36 1.09 -0.11 3.86 0.00 -1.76 -2.21 119.26 121.48 1n78 h ALA 383 Ca 0.26 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1n78 h ALA 383 Cb 0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1n78 h ALA 383 CO -0.04 0.63 0.01 0.37 0.00 0.00 0.00 179.25 180.22 1n78 h GLN 384 N 0.13 0.19 -0.81 0.00 5.75 -0.37 -0.55 115.11 119.44 1n78 h GLN 384 Ca 0.01 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 1n78 h GLN 384 Cb 0.89 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.38 1n78 h GLN 384 CO 0.07 0.42 0.44 0.00 -2.65 0.00 0.00 178.83 177.11 1n78 h ARG 385 N -0.07 1.14 -0.19 1.69 3.08 -1.22 -1.36 114.38 117.45 1n78 h ARG 385 Ca 0.03 -0.14 -0.08 0.00 0.07 0.00 0.00 59.98 59.86 1n78 h ARG 385 Cb 0.33 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1n78 h ARG 385 CO 0.00 0.85 -0.24 -0.22 -1.07 0.00 0.00 179.97 179.29 1n78 h LYS 386 N 1.14 0.34 -0.10 0.04 1.63 -1.30 -0.10 116.57 118.21 1n78 h LYS 386 Ca 0.29 -0.12 -0.01 0.00 -0.85 0.00 0.00 60.65 59.96 1n78 h LYS 386 Cb 0.05 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.65 1n78 h LYS 386 CO -0.04 0.56 0.00 1.25 -3.45 0.00 0.00 179.45 177.78 1n78 h LEU 387 N 0.30 0.16 -0.18 5.20 5.85 -0.28 -2.41 115.31 123.95 1n78 h LEU 387 Ca 0.05 -0.29 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 1n78 h LEU 387 Cb 0.60 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1n78 h LEU 387 CO 0.04 0.42 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.19 1n78 h GLU 388 N -0.10 0.35 -0.59 1.25 5.08 -1.11 0.21 114.58 119.68 1n78 h GLU 388 Ca 0.03 -0.13 0.14 0.00 -1.00 0.00 0.00 59.36 58.40 1n78 h GLU 388 Cb 0.33 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1n78 h GLU 388 CO 0.00 0.61 0.41 1.49 -1.00 0.00 0.00 179.01 180.52 1n78 h GLU 389 N 0.07 0.14 -0.41 2.33 4.81 -1.04 -1.43 114.58 119.05 1n78 h GLU 389 Ca 0.05 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1n78 h GLU 389 Cb 0.47 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1n78 h GLU 389 CO 0.02 0.09 0.00 0.41 -0.73 0.00 0.00 179.01 178.80 1n78 n GLY 390 N -1.60 2.46 0.37 1.92 0.00 -0.91 -4.67 105.19 102.76 1n78 n GLY 390 Ca 0.11 -0.48 0.11 0.00 0.00 0.00 0.00 46.02 45.76 1n78 n GLY 390 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1n78 h LEU 391 N 2.63 0.76 -0.29 0.99 5.85 0.20 -1.93 115.31 123.52 1n78 h LEU 391 Ca 0.00 0.06 -0.19 0.00 0.84 0.00 0.00 57.88 58.59 1n78 h LEU 391 Cb 0.78 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.72 1n78 h LEU 391 CO 0.00 0.36 -0.58 1.55 -0.34 0.00 0.00 178.44 179.42 1n78 h PRO 392 N 0.79 0.86 -0.81 5.25 0.13 -1.83 -2.78 132.00 133.60 1n78 h PRO 392 Ca 0.50 -0.57 -0.02 0.00 -0.87 0.00 0.00 66.00 65.05 1n78 h PRO 392 Cb 0.73 0.08 -0.04 0.00 0.13 0.00 0.00 31.00 31.89 1n78 h PRO 392 CO -0.27 1.20 0.44 1.25 -0.23 0.00 0.00 178.00 180.39 1n78 h LEU 393 N 0.65 1.02 -0.44 1.56 6.46 -1.76 -2.86 115.31 119.93 1n78 h LEU 393 Ca 0.00 -0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.65 1n78 h LEU 393 Cb 1.20 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.85 1n78 h LEU 393 CO 0.13 0.83 0.23 -0.07 -0.62 0.00 0.00 178.44 178.93 1n78 h LEU 394 N 1.13 0.56 -2.17 2.25 3.38 -1.35 -1.76 115.31 117.36 1n78 h LEU 394 Ca 0.29 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1n78 h LEU 394 Cb 0.04 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1n78 h LEU 394 CO -0.05 0.51 -0.04 0.11 0.09 0.00 0.00 178.44 179.07 1n78 h LYS 395 N 0.57 0.00 0.00 1.13 1.57 -1.28 0.60 116.57 119.17 1n78 h LYS 395 Ca 0.15 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.86 1n78 h LYS 395 Cb 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1n78 h LYS 395 CO -0.02 0.04 -0.51 0.93 -0.57 0.00 0.00 179.45 179.32 1n78 h GLU 396 N 0.00 0.00 0.04 3.15 5.08 -1.25 -3.27 114.58 118.34 1n78 h GLU 396 Ca -0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.09 1n78 h GLU 396 Cb 0.08 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1n78 h GLU 396 CO 0.00 0.28 -1.37 1.25 -1.00 0.00 0.00 179.01 178.18 1n78 h LEU 397 N 0.00 0.14 -0.40 1.33 5.85 0.28 -3.40 115.31 119.12 1n78 h LEU 397 Ca -0.02 -0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.57 1n78 h LEU 397 Cb 1.26 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 42.15 1n78 h LEU 397 CO 0.04 1.16 -0.41 0.22 -0.34 0.00 0.00 178.44 179.11 1n78 h TYR 398 N 0.03 -1.17 -0.85 1.25 3.20 -0.02 -1.73 116.97 117.68 1n78 h TYR 398 Ca -0.16 0.07 0.12 0.00 3.14 0.00 0.00 58.73 61.90 1n78 h TYR 398 Cb 1.92 0.57 -0.06 0.00 1.54 0.00 0.00 36.73 40.70 1n78 h TYR 398 CO 0.02 -0.43 0.55 -1.35 -1.64 0.00 0.00 178.16 175.31 1n78 h PRO 399 N -0.32 0.69 -0.38 1.82 0.11 -1.76 0.23 132.00 132.39 1n78 h PRO 399 Ca 0.14 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.13 1n78 h PRO 399 Cb 0.58 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 1n78 h PRO 399 CO -0.56 0.46 -0.13 0.00 -0.21 0.00 0.00 178.00 177.56 1n78 h ARG 400 N 0.71 0.67 -0.17 1.05 3.08 -1.56 -0.47 114.38 117.70 1n78 h ARG 400 Ca 0.41 -0.22 -0.15 0.00 0.07 0.00 0.00 59.98 60.09 1n78 h ARG 400 Cb 0.60 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1n78 h ARG 400 CO -0.17 0.78 -0.49 -0.07 -1.07 0.00 0.00 179.97 178.95 1n78 h LEU 401 N 0.61 0.72 -2.47 3.04 3.38 -0.46 -1.40 115.31 118.73 1n78 h LEU 401 Ca 0.11 -0.59 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 1n78 h LEU 401 Cb 0.57 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1n78 h LEU 401 CO 0.04 1.18 -0.03 -0.09 0.09 0.00 0.00 178.44 179.63 1n78 h ARG 402 N 0.30 0.00 -0.00 1.13 2.43 -0.22 -1.48 114.38 116.53 1n78 h ARG 402 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1n78 h ARG 402 Cb 1.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1n78 h ARG 402 CO 0.10 0.03 -0.84 0.00 -1.51 0.00 0.00 179.97 177.75 1n78 n ALA 403 N -2.19 4.39 -1.99 2.80 0.00 -0.22 -4.94 120.51 118.37 1n78 n ALA 403 Ca -0.02 -0.61 -0.42 0.00 0.00 0.00 0.00 53.44 52.38 1n78 n ALA 403 Cb 0.13 -0.78 -0.03 0.00 0.00 0.00 0.00 19.45 18.78 1n78 n ALA 403 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1n78 s GLN 404 N -2.84 4.18 -0.15 0.00 2.00 -0.54 -4.91 119.66 117.40 1n78 s GLN 404 Ca 0.11 2.22 -0.15 0.00 -2.00 0.00 0.00 55.36 55.54 1n78 s GLN 404 Cb 0.17 -3.95 -0.24 0.00 0.80 0.00 0.00 33.01 29.79 1n78 s GLN 404 CO 0.78 -0.83 0.36 1.49 -0.50 0.00 0.00 175.29 176.58 1n78 h GLU 405 N 9.43 0.15 -5.48 1.67 4.22 -1.91 -3.43 114.58 119.24 1n78 h GLU 405 Ca -0.40 -0.26 -0.65 0.00 0.08 0.00 0.00 59.36 58.13 1n78 h GLU 405 Cb 1.18 0.10 -0.14 0.00 0.50 0.00 0.00 28.75 30.39 1n78 h GLU 405 CO 0.95 1.13 1.01 -2.00 -2.18 0.00 0.00 179.01 177.92 1n78 s GLU 406 N -2.46 3.51 -1.28 1.92 2.56 -1.26 -4.94 118.70 116.76 1n78 s GLU 406 Ca -0.24 -1.37 -0.10 0.00 0.00 0.00 0.00 54.97 53.25 1n78 s GLU 406 Cb 0.06 -4.93 0.16 0.00 2.00 0.00 0.00 34.13 31.42 1n78 s GLU 406 CO 0.70 -1.93 1.83 1.87 -0.56 0.00 0.00 175.26 177.17 1n78 n TRP 407 N 7.56 3.23 -4.37 5.30 -0.00 -1.26 -4.47 117.44 123.42 1n78 n TRP 407 Ca 0.22 -2.87 -0.19 0.00 -0.00 0.00 0.00 57.50 54.66 1n78 n TRP 407 Cb 0.49 -2.00 -0.10 0.00 -0.00 0.00 0.00 31.31 29.70 1n78 n TRP 407 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 1n78 s THR 408 N 0.65 1.44 0.20 5.87 -4.23 -1.26 -4.92 115.64 113.40 1n78 s THR 408 Ca 0.40 -2.11 -0.11 0.00 -1.18 0.00 0.00 61.69 58.70 1n78 s THR 408 Cb 0.08 -2.32 0.11 0.00 1.34 0.00 0.00 72.50 71.72 1n78 s THR 408 CO 0.00 -0.38 1.78 -0.33 -0.54 0.00 0.00 174.62 175.15 1n78 h GLU 409 N 2.41 0.53 -0.06 3.99 5.08 -1.92 0.98 114.58 125.60 1n78 h GLU 409 Ca -0.39 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1n78 h GLU 409 Cb 1.23 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 1n78 h GLU 409 CO 0.65 0.35 0.02 0.00 -1.00 0.00 0.00 179.01 179.03 1n78 h ALA 410 N 1.33 0.07 -0.56 3.43 0.00 -1.96 -1.22 119.26 120.35 1n78 h ALA 410 Ca 0.27 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1n78 h ALA 410 Cb 0.20 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1n78 h ALA 410 CO -0.20 -0.34 -0.00 0.00 0.00 0.00 0.00 179.25 178.72 1n78 h ALA 411 N 0.85 0.93 -0.09 0.00 0.00 -1.78 -1.89 119.26 117.28 1n78 h ALA 411 Ca 0.02 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 1n78 h ALA 411 Cb 0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1n78 h ALA 411 CO -0.00 0.64 -0.43 -0.07 0.00 0.00 0.00 179.25 179.39 1n78 h LEU 412 N 0.90 0.22 -0.05 0.00 4.07 -0.74 -1.19 115.31 118.52 1n78 h LEU 412 Ca 0.16 -0.09 -0.03 0.00 0.08 0.00 0.00 57.88 58.00 1n78 h LEU 412 Cb 0.52 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.20 1n78 h LEU 412 CO 0.03 0.63 -0.09 -0.08 -1.08 0.00 0.00 178.44 177.84 1n78 h GLU 413 N 0.18 0.15 -0.78 1.13 4.81 -0.97 -1.03 114.58 118.07 1n78 h GLU 413 Ca 0.01 -0.10 0.11 0.00 -0.13 0.00 0.00 59.36 59.26 1n78 h GLU 413 Cb 0.83 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 30.14 1n78 h GLU 413 CO 0.06 0.67 0.41 0.00 -0.73 0.00 0.00 179.01 179.42 1n78 h ALA 414 N 0.48 1.12 -0.49 2.92 0.00 -1.26 0.25 119.26 122.27 1n78 h ALA 414 Ca 0.00 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1n78 h ALA 414 Cb 0.67 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1n78 h ALA 414 CO 0.02 -0.03 -0.03 1.25 0.00 0.00 0.00 179.25 180.46 1n78 h LEU 415 N 0.65 0.88 -0.21 0.00 5.85 -1.14 -1.35 115.31 119.99 1n78 h LEU 415 Ca 0.40 -0.32 -0.22 0.00 0.84 0.00 0.00 57.88 58.57 1n78 h LEU 415 Cb 0.46 -0.24 0.01 0.00 0.37 0.00 0.00 40.66 41.26 1n78 h LEU 415 CO -0.30 1.00 -0.83 -0.07 -0.34 0.00 0.00 178.44 177.90 1n78 h LEU 416 N 0.75 0.74 -0.34 2.25 3.38 -0.57 -1.31 115.31 120.21 1n78 h LEU 416 Ca 0.14 -0.52 -0.13 0.00 0.09 0.00 0.00 57.88 57.45 1n78 h LEU 416 Cb 0.56 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1n78 h LEU 416 CO 0.03 1.30 -0.31 0.03 0.09 0.00 0.00 178.44 179.58 1n78 h ARG 417 N 0.40 0.81 -0.51 1.13 3.08 -1.00 -0.56 114.38 117.73 1n78 h ARG 417 Ca -0.06 -0.42 0.02 0.00 0.07 0.00 0.00 59.98 59.59 1n78 h ARG 417 Cb 1.44 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.47 1n78 h ARG 417 CO 0.16 1.05 0.30 0.78 -1.07 0.00 0.00 179.97 181.19 1n78 h GLY 418 N 0.60 0.72 1.04 0.04 0.00 -1.22 -0.43 103.07 103.83 1n78 h GLY 418 Ca 0.06 -0.23 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 1n78 h GLY 418 CO 0.08 0.19 0.27 -2.75 0.00 0.00 0.00 176.54 174.32 1n78 h PHE 419 N 0.60 1.16 -0.30 5.60 3.04 -1.10 0.09 116.94 126.04 1n78 h PHE 419 Ca 0.21 -0.10 0.02 0.00 3.98 0.00 0.00 57.97 62.07 1n78 h PHE 419 Cb 0.03 -0.34 -0.02 0.00 2.56 0.00 0.00 35.95 38.17 1n78 h PHE 419 CO -0.07 0.90 0.15 0.00 -2.02 0.00 0.00 178.31 177.28 1n78 h ALA 420 N 1.13 0.36 0.79 2.41 0.00 -0.46 -0.93 119.26 122.57 1n78 h ALA 420 Ca 0.24 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1n78 h ALA 420 Cb 0.26 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1n78 h ALA 420 CO -0.01 -0.23 -0.49 0.00 0.00 0.00 0.00 179.25 178.51 1n78 h ALA 421 N 1.15 -1.25 -0.78 0.00 0.00 -0.61 -0.08 119.26 117.68 1n78 h ALA 421 Ca 0.12 -0.25 0.18 0.00 0.00 0.00 0.00 54.91 54.96 1n78 h ALA 421 Cb 0.04 0.61 -0.14 0.00 0.00 0.00 0.00 17.79 18.30 1n78 h ALA 421 CO -0.08 -1.22 -0.01 1.49 0.00 0.00 0.00 179.25 179.43 1n78 h GLU 422 N -1.20 0.08 0.00 0.00 4.81 -0.85 1.70 114.58 119.12 1n78 h GLU 422 Ca -0.10 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1n78 h GLU 422 Cb 0.96 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.32 1n78 h GLU 422 CO 0.10 0.06 0.00 1.17 -0.73 0.00 0.00 179.01 179.61 1n78 n LYS 423 N -5.37 0.97 -3.56 1.92 3.00 -0.37 -4.92 118.16 109.83 1n78 n LYS 423 Ca 0.14 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.25 1n78 n LYS 423 Cb 0.49 -1.41 0.02 0.00 0.00 0.00 0.00 35.03 34.13 1n78 n LYS 423 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1n78 n GLY 424 N 0.85 -1.18 3.43 3.14 0.00 0.58 -5.01 105.19 107.00 1n78 n GLY 424 Ca 0.19 0.51 -0.10 0.00 0.00 0.00 0.00 46.02 46.62 1n78 n GLY 424 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n78 s VAL 425 N -3.16 0.04 0.28 1.61 0.11 -0.39 -5.02 120.40 113.86 1n78 s VAL 425 Ca 0.17 -0.52 -0.29 0.00 -2.93 0.00 0.00 61.98 58.40 1n78 s VAL 425 Cb -0.06 -1.30 -0.10 0.00 -1.53 0.00 0.00 36.38 33.39 1n78 s VAL 425 CO 0.85 -0.16 1.10 -0.54 -3.33 0.00 0.00 175.10 173.02 1n78 s LYS 426 N -3.82 4.63 0.24 1.54 -0.14 -1.26 -4.26 119.74 116.67 1n78 s LYS 426 Ca 0.05 1.81 -0.13 0.00 -1.36 0.00 0.00 55.97 56.34 1n78 s LYS 426 Cb -0.00 -3.18 0.31 0.00 -1.68 0.00 0.00 37.83 33.28 1n78 s LYS 426 CO -0.08 0.21 1.58 1.25 -0.76 0.00 0.00 175.35 177.54 1n78 h LEU 427 N 3.80 -0.96 -1.78 3.17 5.85 -1.92 0.38 115.31 123.85 1n78 h LEU 427 Ca -0.47 0.26 0.19 0.00 0.84 0.00 0.00 57.88 58.70 1n78 h LEU 427 Cb 1.21 0.57 -0.03 0.00 0.37 0.00 0.00 40.66 42.79 1n78 h LEU 427 CO 0.67 -0.29 0.67 1.23 -0.34 0.00 0.00 178.44 180.38 1n78 h GLY 428 N -0.03 0.00 2.00 3.75 0.00 -1.96 0.92 103.07 107.75 1n78 h GLY 428 Ca 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.68 1n78 h GLY 428 CO -0.86 0.00 -0.08 1.46 0.00 0.00 0.00 176.54 177.06 1n78 h GLN 429 N 0.00 0.00 0.00 4.80 4.20 -0.61 -0.55 115.11 122.95 1n78 h GLN 429 Ca 0.31 0.00 -0.39 0.00 0.06 0.00 0.00 58.65 58.63 1n78 h GLN 429 Cb 1.65 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 29.36 1n78 h GLN 429 CO -0.00 0.08 -2.47 0.28 -0.67 0.00 0.00 178.83 176.05 1n78 n VAL 430 N -3.16 1.47 -0.12 -0.54 0.31 0.28 -4.43 118.33 112.14 1n78 n VAL 430 Ca 0.02 -0.54 -0.09 0.00 -0.01 0.00 0.00 64.34 63.71 1n78 n VAL 430 Cb 0.43 -1.46 -0.02 0.00 -0.91 0.00 0.00 33.84 31.88 1n78 n VAL 430 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n78 h ALA 431 N -0.11 0.46 0.42 3.52 0.00 -0.46 -2.74 119.26 120.36 1n78 h ALA 431 Ca -0.59 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.17 1n78 h ALA 431 Cb 1.86 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1n78 h ALA 431 CO -0.12 0.07 -0.22 0.37 0.00 0.00 0.00 179.25 179.35 1n78 h GLN 432 N 0.43 -0.57 -0.06 0.00 5.75 -1.32 0.34 115.11 119.69 1n78 h GLN 432 Ca 0.12 0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.60 1n78 h GLN 432 Cb 0.19 0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 1n78 h GLN 432 CO -0.01 -0.38 -0.22 -1.00 -2.65 0.00 0.00 178.83 174.58 1n78 h PRO 433 N -0.59 0.09 -0.41 -2.39 0.13 -1.77 -1.79 132.00 125.27 1n78 h PRO 433 Ca -0.05 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 64.95 1n78 h PRO 433 Cb 0.46 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.56 1n78 h PRO 433 CO 0.08 0.31 -0.15 1.25 -0.23 0.00 0.00 178.00 179.26 1n78 h LEU 434 N 0.09 0.76 -0.14 1.56 5.85 -1.21 -1.17 115.31 121.04 1n78 h LEU 434 Ca 0.01 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 1n78 h LEU 434 Cb 0.44 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1n78 h LEU 434 CO 0.03 0.91 0.06 -0.09 -0.34 0.00 0.00 178.44 179.01 1n78 h ARG 435 N 0.68 0.21 -0.95 1.25 2.43 -0.25 -1.17 114.38 116.58 1n78 h ARG 435 Ca 0.11 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.29 1n78 h ARG 435 Cb 0.63 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.09 1n78 h ARG 435 CO 0.04 0.31 0.62 0.00 -1.51 0.00 0.00 179.97 179.43 1n78 h ALA 436 N 0.89 1.43 -0.27 2.80 0.00 -1.10 0.16 119.26 123.17 1n78 h ALA 436 Ca 0.05 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1n78 h ALA 436 Cb 0.17 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1n78 h ALA 436 CO -0.00 0.46 -0.41 0.00 0.00 0.00 0.00 179.25 179.30 1n78 h ALA 437 N 1.47 0.78 0.00 0.00 0.00 -0.92 0.15 119.26 120.74 1n78 h ALA 437 Ca 0.39 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1n78 h ALA 437 Cb 0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1n78 h ALA 437 CO -0.13 0.66 -0.79 -0.07 0.00 0.00 0.00 179.25 178.91 1n78 h LEU 438 N 0.53 0.00 0.00 0.00 3.38 -0.66 -3.41 115.31 115.15 1n78 h LEU 438 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1n78 h LEU 438 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1n78 h LEU 438 CO 0.08 0.42 -0.24 0.35 0.09 0.00 0.00 178.44 179.15 1n78 n THR 439 N -3.05 0.00 -1.06 0.22 -2.24 0.50 -4.99 114.28 103.66 1n78 n THR 439 Ca -0.02 -0.22 -0.02 0.00 -2.27 0.00 0.00 64.05 61.52 1n78 n THR 439 Cb 0.73 0.77 -0.01 0.00 -2.10 0.00 0.00 70.33 69.71 1n78 n THR 439 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n78 n GLY 440 N 1.03 0.51 3.15 3.38 0.00 0.53 -4.81 105.19 108.98 1n78 n GLY 440 Ca 0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 1n78 n GLY 440 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n78 s SER 441 N -2.28 0.27 0.00 1.61 0.15 -1.26 -1.15 113.70 111.04 1n78 s SER 441 Ca 0.00 -0.76 0.08 0.00 0.70 0.00 0.00 55.95 55.97 1n78 s SER 441 Cb 0.00 0.27 0.17 0.00 -1.71 0.00 0.00 66.02 64.75 1n78 s SER 441 CO 0.00 -0.64 1.02 0.18 1.20 0.00 0.00 173.24 174.99 1n78 n LEU 442 N 0.14 2.30 -3.91 3.45 4.32 -1.26 -3.49 117.00 118.55 1n78 n LEU 442 Ca -0.15 -1.58 -0.30 0.00 -0.02 0.00 0.00 56.01 53.95 1n78 n LEU 442 Cb 0.61 -0.10 -0.15 0.00 -1.62 0.00 0.00 43.42 42.16 1n78 n LEU 442 CO 0.25 0.54 -0.30 -1.61 -1.22 0.00 0.00 177.39 175.04 1n78 s GLU 443 N -0.88 1.34 0.34 3.23 2.02 -1.26 -5.07 118.70 118.41 1n78 s GLU 443 Ca 0.15 -1.80 -0.06 0.00 0.02 0.00 0.00 54.97 53.28 1n78 s GLU 443 Cb 0.08 -2.83 0.02 0.00 0.10 0.00 0.00 34.13 31.51 1n78 s GLU 443 CO 0.12 -1.00 0.55 -2.37 0.02 0.00 0.00 175.26 172.57 1n78 n THR 444 N 4.16 0.00 -1.05 3.63 5.66 -1.26 -5.11 114.28 120.32 1n78 n THR 444 Ca 0.03 -1.41 -0.07 0.00 -3.05 0.00 0.00 64.05 59.55 1n78 n THR 444 Cb 0.40 0.98 0.05 0.00 -1.55 0.00 0.00 70.33 70.21 1n78 n THR 444 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1n78 n PRO 445 N -0.52 -0.68 -1.53 1.09 -0.04 -1.26 -4.96 135.00 127.10 1n78 n PRO 445 Ca -0.02 -0.48 -0.40 0.00 -0.04 0.00 0.00 63.50 62.57 1n78 n PRO 445 Cb 0.55 -0.35 0.03 0.00 -0.04 0.00 0.00 33.50 33.68 1n78 n PRO 445 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1n78 n GLY 446 N 2.24 -0.95 0.16 0.55 0.00 -1.26 -4.86 105.19 101.07 1n78 n GLY 446 Ca 0.04 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 1n78 n GLY 446 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1n78 h LEU 447 N 0.73 0.48 -1.07 0.99 5.85 -1.96 -2.23 115.31 118.10 1n78 h LEU 447 Ca -0.45 -0.43 -0.00 0.00 0.84 0.00 0.00 57.88 57.84 1n78 h LEU 447 Cb 1.38 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.23 1n78 h LEU 447 CO 0.51 0.80 0.52 -0.26 -0.34 0.00 0.00 178.44 179.68 1n78 h PHE 448 N 0.16 1.12 0.00 1.25 0.04 -1.91 0.35 116.94 117.94 1n78 h PHE 448 Ca 0.04 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.66 1n78 h PHE 448 Cb 0.64 -0.37 -0.02 0.00 2.20 0.00 0.00 35.95 38.39 1n78 h PHE 448 CO 0.07 0.74 -0.75 1.05 -0.60 0.00 0.00 178.31 178.82 1n78 h GLU 449 N 1.18 0.00 -0.07 1.51 9.09 -1.92 -2.24 114.58 122.13 1n78 h GLU 449 Ca 0.31 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.52 1n78 h GLU 449 Cb -0.06 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.04 1n78 h GLU 449 CO -0.06 0.75 -0.79 0.82 0.05 0.00 0.00 179.01 179.78 1n78 h ILE 450 N 0.00 1.36 -0.01 -1.06 1.08 -0.78 -2.02 117.51 116.08 1n78 h ILE 450 Ca -0.01 -2.18 -0.18 0.00 -0.39 0.00 0.00 64.86 62.11 1n78 h ILE 450 Cb 1.55 2.16 -0.01 0.00 -3.07 0.00 0.00 36.82 37.44 1n78 h ILE 450 CO 0.10 0.66 -0.79 0.25 -0.69 0.00 0.00 178.15 177.68 1n78 h LEU 451 N 0.32 0.19 0.23 1.44 5.85 -0.33 -3.33 115.31 119.67 1n78 h LEU 451 Ca -0.05 -0.14 -0.33 0.00 0.84 0.00 0.00 57.88 58.21 1n78 h LEU 451 Cb 1.39 -0.06 0.03 0.00 0.37 0.00 0.00 40.66 42.39 1n78 h LEU 451 CO 0.14 0.90 -1.46 0.00 -0.34 0.00 0.00 178.44 177.68 1n78 h ALA 452 N 1.09 -0.08 -0.66 1.25 0.00 -1.39 -3.39 119.26 116.08 1n78 h ALA 452 Ca -0.03 -0.89 0.10 0.00 0.00 0.00 0.00 54.91 54.09 1n78 h ALA 452 Cb 1.38 0.17 -0.11 0.00 0.00 0.00 0.00 17.79 19.23 1n78 h ALA 452 CO 0.12 0.78 -0.44 1.25 0.00 0.00 0.00 179.25 180.96 1n78 h LEU 453 N 0.13 -1.53 -0.32 0.00 5.85 -1.47 -2.37 115.31 115.60 1n78 h LEU 453 Ca -0.24 0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1n78 h LEU 453 Cb 2.13 0.71 0.00 0.00 0.37 0.00 0.00 40.66 43.87 1n78 h LEU 453 CO 0.25 -0.32 0.00 0.00 -0.34 0.00 0.00 178.44 178.03 1n78 n LEU 454 N -5.40 0.48 0.00 2.25 -0.00 -1.26 -5.02 117.00 108.04 1n78 n LEU 454 Ca 0.03 0.59 0.00 0.00 -0.00 0.00 0.00 56.01 56.63 1n78 n LEU 454 Cb 0.35 -0.50 0.00 0.00 -0.00 0.00 0.00 43.42 43.27 1n78 n LEU 454 CO -0.04 -0.35 0.00 0.61 -0.00 0.00 0.00 177.39 177.61 1n78 n GLY 455 N 0.44 0.80 0.30 1.47 0.00 -0.89 -4.39 105.19 102.92 1n78 n GLY 455 Ca 0.04 -1.71 -0.12 0.00 0.00 0.00 0.00 46.02 44.23 1n78 n GLY 455 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1n78 h LYS 456 N 0.00 -0.45 -0.06 1.61 3.64 -1.86 -1.31 116.57 118.14 1n78 h LYS 456 Ca 0.00 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1n78 h LYS 456 Cb 0.00 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1n78 h LYS 456 CO 0.00 -0.30 -0.04 0.93 -2.27 0.00 0.00 179.45 177.77 1n78 h GLU 457 N -0.47 -0.04 -0.92 1.90 4.39 -1.99 0.14 114.58 117.58 1n78 h GLU 457 Ca 0.04 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.76 1n78 h GLU 457 Cb 0.51 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.13 1n78 h GLU 457 CO -0.18 -0.03 0.61 -0.09 -1.16 0.00 0.00 179.01 178.16 1n78 h ARG 458 N -0.04 1.19 -0.44 2.33 2.43 -1.75 0.29 114.38 118.38 1n78 h ARG 458 Ca 0.04 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 1n78 h ARG 458 Cb 0.10 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 1n78 h ARG 458 CO -0.09 0.78 0.13 0.00 -1.51 0.00 0.00 179.97 179.28 1n78 h ALA 459 N 1.35 0.58 -0.56 2.80 0.00 -0.82 -2.82 119.26 119.79 1n78 h ALA 459 Ca 0.34 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1n78 h ALA 459 Cb -0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1n78 h ALA 459 CO -0.08 0.24 0.20 -0.07 0.00 0.00 0.00 179.25 179.54 1n78 h LEU 460 N 0.58 0.80 -0.83 0.00 3.38 -0.06 -1.58 115.31 117.60 1n78 h LEU 460 Ca 0.14 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 58.01 1n78 h LEU 460 Cb 0.29 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.76 1n78 h LEU 460 CO -0.00 0.77 0.49 0.03 0.09 0.00 0.00 178.44 179.82 1n78 h ARG 461 N 0.78 0.82 -0.22 1.13 2.47 -0.83 0.23 114.38 118.76 1n78 h ARG 461 Ca 0.19 -0.05 -0.08 0.00 -1.26 0.00 0.00 59.98 58.78 1n78 h ARG 461 Cb 0.24 -0.19 -0.00 0.00 -1.65 0.00 0.00 29.97 28.37 1n78 h ARG 461 CO -0.01 0.55 -0.17 0.00 0.56 0.00 0.00 179.97 180.89 1n78 h ARG 462 N 0.85 0.50 -0.67 0.04 3.08 -1.29 -2.22 114.38 114.66 1n78 h ARG 462 Ca 0.39 -0.25 0.07 0.00 0.07 0.00 0.00 59.98 60.26 1n78 h ARG 462 Cb 0.29 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.28 1n78 h ARG 462 CO -0.22 0.82 0.35 1.25 -1.07 0.00 0.00 179.97 181.10 1n78 h LEU 463 N 0.20 0.49 -0.63 3.04 6.46 -0.49 0.11 115.31 124.48 1n78 h LEU 463 Ca 0.04 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 1n78 h LEU 463 Cb 0.70 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.56 1n78 h LEU 463 CO 0.05 0.30 0.36 -0.33 -0.62 0.00 0.00 178.44 178.20 1n78 h GLU 464 N 0.63 0.87 -0.70 1.25 5.08 -0.49 -0.36 114.58 120.85 1n78 h GLU 464 Ca 0.32 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 1n78 h GLU 464 Cb 0.27 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1n78 h GLU 464 CO -0.22 0.64 0.41 0.00 -1.00 0.00 0.00 179.01 178.83 1n78 h ARG 465 N 0.86 0.96 -0.36 2.33 3.08 -0.61 0.20 114.38 120.83 1n78 h ARG 465 Ca 0.22 -0.10 0.02 0.00 0.07 0.00 0.00 59.98 60.20 1n78 h ARG 465 Cb 0.01 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.83 1n78 h ARG 465 CO -0.04 0.70 0.19 0.00 -1.07 0.00 0.00 179.97 179.75 1n78 h ALA 466 N 1.21 0.44 -0.01 0.04 0.00 -0.15 -1.28 119.26 119.51 1n78 h ALA 466 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1n78 h ALA 466 Cb -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1n78 h ALA 466 CO -0.04 -0.17 0.00 1.28 0.00 0.00 0.00 179.25 180.31 1n78 n LEU 467 N -4.92 0.47 0.00 0.00 4.77 -0.21 -5.07 117.00 112.04 1n78 n LEU 467 Ca 0.00 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1n78 n LEU 467 Cb 0.07 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1n78 n LEU 467 CO 0.31 0.08 0.07 0.00 -1.33 0.00 0.00 177.39 176.53