#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n33 s GLN 3 N 0.00 0.75 -0.15 5.31 2.00 -1.24 -4.45 119.66 121.88 1n33 s GLN 3 Ca 0.00 0.15 -0.20 0.00 -2.00 0.00 0.00 55.36 53.31 1n33 s GLN 3 Cb 0.00 0.35 0.05 0.00 0.80 0.00 0.00 33.01 34.21 1n33 s GLN 3 CO 0.00 -0.19 0.53 0.71 -0.50 0.00 0.00 175.29 175.84 1n33 s TYR 4 N -0.88 -0.55 -0.15 1.67 1.51 -0.47 -4.88 117.35 113.60 1n33 s TYR 4 Ca -0.09 1.23 -0.03 0.00 -1.01 0.00 0.00 57.07 57.16 1n33 s TYR 4 Cb -0.03 0.22 0.05 0.00 -0.11 0.00 0.00 41.96 42.09 1n33 s TYR 4 CO 0.05 -0.36 0.04 -0.47 -1.11 0.00 0.00 175.55 173.71 1n33 s TYR 5 N -0.19 0.68 -0.03 2.71 6.04 -1.26 0.78 117.35 126.08 1n33 s TYR 5 Ca -0.04 -0.49 0.07 0.00 0.04 0.00 0.00 57.07 56.65 1n33 s TYR 5 Cb -0.03 -0.86 -0.02 0.00 -1.04 0.00 0.00 41.96 40.01 1n33 s TYR 5 CO 0.03 -0.49 -0.24 0.20 -1.54 0.00 0.00 175.55 173.50 1n33 s GLY 6 N 1.97 1.31 0.00 8.97 0.00 -1.00 -4.32 107.32 114.25 1n33 s GLY 6 Ca 0.02 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.65 1n33 s GLY 6 CO -0.07 -0.86 0.00 2.41 0.00 0.00 0.00 173.10 174.58 1n33 n THR 7 N 2.51 0.00 -0.28 0.90 -1.04 -1.26 -1.67 114.28 113.43 1n33 n THR 7 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1n33 n THR 7 Cb 0.51 -0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 1n33 n THR 7 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1n33 n GLY 8 N 3.97 -0.32 3.75 3.41 0.00 -1.26 -0.57 105.19 114.17 1n33 n GLY 8 Ca 0.00 -0.77 -0.23 0.00 0.00 0.00 0.00 46.02 45.02 1n33 n GLY 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n33 s ARG 9 N -0.38 2.39 -0.30 1.61 0.52 -1.25 -2.26 118.95 119.28 1n33 s ARG 9 Ca 0.00 -1.57 -0.18 0.00 -0.52 0.00 0.00 55.73 53.46 1n33 s ARG 9 Cb 0.00 -2.19 0.19 0.00 0.52 0.00 0.00 34.95 33.47 1n33 s ARG 9 CO 0.00 0.06 1.19 0.50 0.02 0.00 0.00 175.30 177.07 1n33 s ARG 10 N -3.89 0.11 -1.41 3.54 6.06 0.09 -4.57 118.95 118.88 1n33 s ARG 10 Ca 0.39 0.27 0.00 0.00 -2.50 0.00 0.00 55.73 53.90 1n33 s ARG 10 Cb -0.02 0.16 0.00 0.00 0.06 0.00 0.00 34.95 35.16 1n33 s ARG 10 CO 0.23 -0.05 0.00 1.17 -2.50 0.00 0.00 175.30 174.16 1n33 n LYS 11 N 4.75 -1.63 -0.93 5.12 4.81 -1.26 -1.60 118.16 127.42 1n33 n LYS 11 Ca -0.07 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.16 1n33 n LYS 11 Cb 0.55 -5.20 0.00 0.00 0.02 0.00 0.00 35.03 30.40 1n33 n LYS 11 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1n33 n GLU 12 N -2.31 0.00 -3.58 1.64 1.02 -1.26 -4.80 120.64 111.34 1n33 n GLU 12 Ca -0.16 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.81 1n33 n GLU 12 Cb 0.54 -1.16 -0.14 0.00 -0.02 0.00 0.00 31.44 30.66 1n33 n GLU 12 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1n33 s ALA 13 N -1.99 -0.21 -0.16 0.62 0.00 -0.63 -1.59 121.76 117.81 1n33 s ALA 13 Ca 0.00 0.40 -0.07 0.00 0.00 0.00 0.00 51.96 52.29 1n33 s ALA 13 Cb 0.00 -1.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 1n33 s ALA 13 CO 0.00 -0.91 0.08 0.08 0.00 0.00 0.00 175.76 175.01 1n33 s VAL 14 N 2.31 4.93 -0.13 0.00 1.01 -1.22 -0.73 120.40 126.57 1n33 s VAL 14 Ca 0.04 0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.04 1n33 s VAL 14 Cb -0.14 -3.20 0.02 0.00 0.00 0.00 0.00 36.38 33.06 1n33 s VAL 14 CO -0.09 0.50 -0.11 0.00 0.00 0.00 0.00 175.10 175.40 1n33 s ALA 15 N 0.02 1.61 -0.35 5.51 0.00 -0.96 -2.02 121.76 125.58 1n33 s ALA 15 Ca 0.07 -0.75 -0.23 0.00 0.00 0.00 0.00 51.96 51.05 1n33 s ALA 15 Cb -0.12 -1.00 0.01 0.00 0.00 0.00 0.00 23.12 22.01 1n33 s ALA 15 CO 0.01 -0.42 0.76 1.03 0.00 0.00 0.00 175.76 177.14 1n33 s ARG 16 N 1.59 3.81 -0.69 0.00 0.52 -1.24 -4.09 118.95 118.85 1n33 s ARG 16 Ca 0.05 0.35 -0.03 0.00 -0.52 0.00 0.00 55.73 55.58 1n33 s ARG 16 Cb -0.13 -3.78 0.18 0.00 0.52 0.00 0.00 34.95 31.73 1n33 s ARG 16 CO -0.10 -0.78 0.52 0.08 0.02 0.00 0.00 175.30 175.04 1n33 s VAL 17 N 3.00 3.90 0.02 3.52 1.01 -0.67 -0.62 120.40 130.56 1n33 s VAL 17 Ca 0.31 -3.13 -0.28 0.00 0.00 0.00 0.00 61.98 58.87 1n33 s VAL 17 Cb -0.14 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1n33 s VAL 17 CO 0.15 -0.93 0.88 -0.36 0.00 0.00 0.00 175.10 174.85 1n33 s PHE 18 N -0.32 3.70 -0.14 5.22 2.99 -0.24 -2.37 117.98 126.81 1n33 s PHE 18 Ca 0.19 1.60 0.00 0.00 0.00 0.00 0.00 56.93 58.72 1n33 s PHE 18 Cb -0.17 -2.99 -0.00 0.00 0.00 0.00 0.00 43.02 39.86 1n33 s PHE 18 CO -0.05 0.12 -0.15 -0.51 -0.00 0.00 0.00 175.22 174.62 1n33 s LEU 19 N 0.51 2.51 -0.06 -0.37 1.43 0.23 -1.14 118.68 121.79 1n33 s LEU 19 Ca 0.45 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 53.15 1n33 s LEU 19 Cb -0.21 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.45 1n33 s LEU 19 CO 0.26 0.11 -0.16 -0.13 0.23 0.00 0.00 176.35 176.66 1n33 s ARG 20 N 0.67 1.93 0.35 1.70 0.52 -0.68 -1.36 118.95 122.08 1n33 s ARG 20 Ca -0.08 -0.55 0.16 0.00 -0.52 0.00 0.00 55.73 54.74 1n33 s ARG 20 Cb -0.16 -1.59 0.55 0.00 0.52 0.00 0.00 34.95 34.28 1n33 s ARG 20 CO 0.02 0.13 0.76 -2.30 0.02 0.00 0.00 175.30 173.93 1n33 n PRO 21 N 3.52 0.01 -0.38 3.54 -0.02 -1.26 -2.04 135.00 138.37 1n33 n PRO 21 Ca -0.20 0.60 -0.14 0.00 -2.02 0.00 0.00 63.50 61.73 1n33 n PRO 21 Cb 0.52 -1.48 0.01 0.00 -0.02 0.00 0.00 33.50 32.54 1n33 n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n33 n GLY 22 N -1.33 -1.44 0.08 -1.23 0.00 -1.26 -4.15 105.19 95.86 1n33 n GLY 22 Ca 0.14 -0.16 0.09 0.00 0.00 0.00 0.00 46.02 46.09 1n33 n GLY 22 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1n33 n ASN 23 N 1.34 0.36 0.00 1.61 0.23 -1.26 -0.91 115.26 116.62 1n33 n ASN 23 Ca -0.01 0.61 0.00 0.00 -0.53 0.00 0.00 54.58 54.65 1n33 n ASN 23 Cb 0.26 -0.68 0.00 0.00 -2.08 0.00 0.00 39.78 37.28 1n33 n ASN 23 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1n33 n GLY 24 N -0.35 1.40 2.72 4.83 0.00 -1.22 -3.97 105.19 108.60 1n33 n GLY 24 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1n33 n GLY 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n33 n LYS 25 N -0.02 4.22 -1.72 1.61 5.02 -1.26 -4.86 118.16 121.15 1n33 n LYS 25 Ca 0.00 -3.72 -0.42 0.00 -2.02 0.00 0.00 58.31 52.15 1n33 n LYS 25 Cb 0.00 -2.73 -0.03 0.00 -0.02 0.00 0.00 35.03 32.25 1n33 n LYS 25 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1n33 n VAL 26 N 2.24 0.08 -3.61 -0.18 0.24 -1.25 -4.50 118.33 111.34 1n33 n VAL 26 Ca 0.47 -0.02 -0.13 0.00 -2.04 0.00 0.00 64.34 62.62 1n33 n VAL 26 Cb 0.31 -1.99 -0.05 0.00 -1.47 0.00 0.00 33.84 30.63 1n33 n VAL 26 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1n33 s THR 27 N 1.09 0.05 0.25 3.34 2.01 -0.70 -3.76 115.64 117.92 1n33 s THR 27 Ca 0.74 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 62.37 1n33 s THR 27 Cb -0.50 -1.01 0.01 0.00 0.01 0.00 0.00 72.50 71.01 1n33 s THR 27 CO 0.33 -0.21 0.10 0.52 -0.69 0.00 0.00 174.62 174.67 1n33 n VAL 28 N 0.25 0.00 -0.06 3.82 0.31 -0.58 -1.80 118.33 120.27 1n33 n VAL 28 Ca -0.18 -1.08 -0.00 0.00 -0.01 0.00 0.00 64.34 63.08 1n33 n VAL 28 Cb 0.61 -0.03 -0.00 0.00 -0.91 0.00 0.00 33.84 33.51 1n33 n VAL 28 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1n33 n ASN 29 N -1.55 -0.13 -3.87 4.52 4.13 -1.20 0.22 115.26 117.39 1n33 n ASN 29 Ca -0.05 -0.09 -0.24 0.00 1.68 0.00 0.00 54.58 55.88 1n33 n ASN 29 Cb 0.30 -0.04 -0.07 0.00 -1.54 0.00 0.00 39.78 38.43 1n33 n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1n33 n GLY 30 N 0.29 -0.12 3.64 7.41 0.00 -1.26 -4.87 105.19 110.28 1n33 n GLY 30 Ca 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 1n33 n GLY 30 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1n33 s GLN 31 N -6.32 0.60 0.34 1.61 0.74 0.13 -5.13 119.66 111.63 1n33 s GLN 31 Ca 0.02 1.34 -0.26 0.00 0.05 0.00 0.00 55.36 56.52 1n33 s GLN 31 Cb -0.01 0.63 -0.13 0.00 1.10 0.00 0.00 33.01 34.60 1n33 s GLN 31 CO 0.75 -0.18 0.80 -3.47 -0.55 0.00 0.00 175.29 172.64 1n33 n ASP 32 N 5.07 0.29 -0.07 6.67 -0.08 -1.26 -1.52 116.55 125.64 1n33 n ASP 32 Ca -0.14 1.06 -0.06 0.00 -1.51 0.00 0.00 54.79 54.14 1n33 n ASP 32 Cb 0.52 -1.20 -0.04 0.00 2.34 0.00 0.00 41.12 42.74 1n33 n ASP 32 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1n33 h PHE 33 N 1.41 -0.74 0.00 -0.67 3.57 -1.90 1.36 116.94 119.97 1n33 h PHE 33 Ca -0.39 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.15 1n33 h PHE 33 Cb 1.37 0.35 0.00 0.00 2.79 0.00 0.00 35.95 40.46 1n33 h PHE 33 CO 0.43 -0.20 0.00 0.09 -2.23 0.00 0.00 178.31 176.39 1n33 n ASN 34 N -3.85 0.00 -0.00 0.41 3.02 -1.26 -1.15 115.26 112.43 1n33 n ASN 34 Ca -0.01 -0.38 0.03 0.00 -0.03 0.00 0.00 54.58 54.18 1n33 n ASN 34 Cb 0.14 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.28 1n33 n ASN 34 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1n33 n GLU 35 N -0.51 3.56 -0.08 3.52 4.71 0.45 -4.03 120.64 128.26 1n33 n GLU 35 Ca 0.00 -0.02 -0.06 0.00 -0.01 0.00 0.00 57.16 57.07 1n33 n GLU 35 Cb 0.00 -0.88 -0.16 0.00 -1.01 0.00 0.00 31.44 29.39 1n33 n GLU 35 CO 0.00 0.00 0.00 0.98 0.09 0.00 0.00 177.13 178.20 1n33 n TYR 36 N -1.31 0.04 -2.78 -0.32 9.36 -0.29 -4.33 117.16 117.53 1n33 n TYR 36 Ca 0.00 0.01 -0.33 0.00 3.32 0.00 0.00 57.90 60.91 1n33 n TYR 36 Cb 0.10 -0.93 -0.01 0.00 -0.63 0.00 0.00 39.34 37.87 1n33 n TYR 36 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 1n33 n PHE 37 N -2.68 3.53 -2.11 2.98 0.99 -0.84 -5.03 117.46 114.30 1n33 n PHE 37 Ca -0.28 -3.39 -0.43 0.00 -0.00 0.00 0.00 57.45 53.36 1n33 n PHE 37 Cb 1.06 -0.75 -0.03 0.00 -1.00 0.00 0.00 39.48 38.76 1n33 n PHE 37 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 1n33 s GLN 38 N -3.82 3.40 -0.85 -1.08 -0.44 -1.26 -3.76 119.66 111.85 1n33 s GLN 38 Ca 0.45 1.25 -0.03 0.00 -2.50 0.00 0.00 55.36 54.53 1n33 s GLN 38 Cb 0.26 -4.15 -0.02 0.00 -1.64 0.00 0.00 33.01 27.46 1n33 s GLN 38 CO -0.15 -1.78 0.75 0.41 0.50 0.00 0.00 175.29 175.02 1n33 n GLY 39 N 5.32 -1.21 2.41 2.59 0.00 -1.26 -4.97 105.19 108.06 1n33 n GLY 39 Ca 0.21 0.51 -0.19 0.00 0.00 0.00 0.00 46.02 46.55 1n33 n GLY 39 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n33 n LEU 40 N -2.35 1.80 0.00 0.99 4.77 -1.25 -5.04 117.00 115.92 1n33 n LEU 40 Ca -0.05 -4.99 0.00 0.00 -0.03 0.00 0.00 56.01 50.94 1n33 n LEU 40 Cb 0.55 0.38 0.00 0.00 -2.33 0.00 0.00 43.42 42.02 1n33 n LEU 40 CO 0.56 2.21 0.00 0.52 -1.33 0.00 0.00 177.39 179.35 1n33 n VAL 41 N 0.10 0.00 0.00 4.08 0.31 -1.26 -2.47 118.33 119.09 1n33 n VAL 41 Ca 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 1n33 n VAL 41 Cb 0.63 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.56 1n33 n VAL 41 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1n33 n ARG 42 N 0.00 0.00 0.00 5.55 1.74 -1.26 -4.28 116.66 118.41 1n33 n ARG 42 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1n33 n ARG 42 Cb 0.00 -0.12 0.00 0.00 -1.02 0.00 0.00 32.46 31.32 1n33 n ARG 42 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1n33 n ALA 43 N -3.00 0.00 -0.25 7.54 0.00 -1.03 -2.85 120.51 120.91 1n33 n ALA 43 Ca 0.00 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.68 1n33 n ALA 43 Cb 0.00 0.00 0.42 0.00 0.00 0.00 0.00 19.45 19.87 1n33 n ALA 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1n33 n VAL 44 N 0.00 -0.24 -0.30 0.00 0.31 -1.26 0.32 118.33 117.15 1n33 n VAL 44 Ca 0.00 1.32 -0.11 0.00 -0.01 0.00 0.00 64.34 65.54 1n33 n VAL 44 Cb 0.00 -2.15 -0.09 0.00 -0.91 0.00 0.00 33.84 30.69 1n33 n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n33 h ALA 45 N 1.25 -0.59 -0.92 3.52 0.00 -1.85 0.20 119.26 120.88 1n33 h ALA 45 Ca 0.58 0.07 0.32 0.00 0.00 0.00 0.00 54.91 55.88 1n33 h ALA 45 Cb 1.67 1.27 -0.09 0.00 0.00 0.00 0.00 17.79 20.64 1n33 h ALA 45 CO -0.45 -0.93 0.59 0.00 0.00 0.00 0.00 179.25 178.47 1n33 n ALA 46 N -3.17 0.91 0.32 0.00 0.00 0.15 0.31 120.51 119.02 1n33 n ALA 46 Ca 0.00 0.57 0.12 0.00 0.00 0.00 0.00 53.44 54.13 1n33 n ALA 46 Cb 0.26 -0.70 0.12 0.00 0.00 0.00 0.00 19.45 19.14 1n33 n ALA 46 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1n33 h LEU 47 N 0.00 0.00 -0.85 0.00 3.38 -1.12 -3.29 115.31 113.43 1n33 h LEU 47 Ca 0.58 -0.06 0.27 0.00 0.09 0.00 0.00 57.88 58.75 1n33 h LEU 47 Cb 1.89 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 42.48 1n33 h LEU 47 CO -0.29 0.03 0.15 1.21 0.09 0.00 0.00 178.44 179.62 1n33 n GLU 48 N -2.56 -0.06 -0.20 1.13 4.07 0.92 0.09 120.64 124.02 1n33 n GLU 48 Ca 0.02 1.24 -0.02 0.00 -0.06 0.00 0.00 57.16 58.35 1n33 n GLU 48 Cb 0.50 -2.05 0.05 0.00 -0.06 0.00 0.00 31.44 29.88 1n33 n GLU 48 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1n33 h PRO 49 N 0.00 -0.05 0.59 5.31 0.13 -1.74 1.08 132.00 137.32 1n33 h PRO 49 Ca 0.58 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.68 1n33 h PRO 49 Cb 1.31 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.46 1n33 h PRO 49 CO -0.76 -0.03 -0.28 -0.07 -0.23 0.00 0.00 178.00 176.63 1n33 h LEU 50 N -0.05 -0.67 -1.30 1.56 3.38 -0.61 -1.89 115.31 115.72 1n33 h LEU 50 Ca 0.28 -0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.30 1n33 h LEU 50 Cb 0.49 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1n33 h LEU 50 CO -0.65 -0.33 0.70 0.03 0.09 0.00 0.00 178.44 178.28 1n33 h ARG 51 N -1.02 0.00 0.00 1.13 3.08 -0.60 0.97 114.38 117.94 1n33 h ARG 51 Ca -0.08 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 1n33 h ARG 51 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1n33 h ARG 51 CO 0.13 0.00 -0.80 0.00 -1.07 0.00 0.00 179.97 178.23 1n33 h ALA 52 N 0.88 0.66 -0.68 0.04 0.00 0.20 -3.31 119.26 117.03 1n33 h ALA 52 Ca 0.14 -0.19 -0.35 0.00 0.00 0.00 0.00 54.91 54.51 1n33 h ALA 52 Cb 1.54 0.04 -0.21 0.00 0.00 0.00 0.00 17.79 19.16 1n33 h ALA 52 CO -0.00 0.22 0.29 0.28 0.00 0.00 0.00 179.25 180.04 1n33 n VAL 53 N -2.86 2.89 -0.55 0.00 0.31 0.33 -4.88 118.33 113.58 1n33 n VAL 53 Ca -0.01 -2.32 0.00 0.00 -0.01 0.00 0.00 64.34 62.00 1n33 n VAL 53 Cb 0.61 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 33.15 1n33 n VAL 53 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1n33 n ASP 54 N -1.12 -2.17 0.00 4.52 9.92 -1.12 -4.83 116.55 121.75 1n33 n ASP 54 Ca 0.47 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.73 1n33 n ASP 54 Cb 1.36 -2.25 0.00 0.00 -0.64 0.00 0.00 41.12 39.59 1n33 n ASP 54 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1n33 n ALA 55 N 0.87 0.00 -0.98 2.24 0.00 -0.97 -4.62 120.51 117.05 1n33 n ALA 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1n33 n ALA 55 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 1n33 n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1n33 n LEU 56 N 0.00 0.00 -4.33 0.00 0.00 -1.24 -4.03 117.00 107.39 1n33 n LEU 56 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 56.01 55.55 1n33 n LEU 56 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.40 1n33 n LEU 56 CO 0.00 0.00 0.52 -0.83 0.00 0.00 0.00 177.39 177.08 1n33 s GLY 57 N 0.00 2.81 0.00 -3.96 0.00 -1.26 -3.79 107.32 101.12 1n33 s GLY 57 Ca 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 44.72 41.26 1n33 s GLY 57 CO 0.00 1.28 0.00 -2.13 0.00 0.00 0.00 173.10 172.25 1n33 n ARG 58 N 3.65 0.00 -3.64 2.90 0.00 -1.25 -5.07 116.66 113.25 1n33 n ARG 58 Ca 0.17 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.95 1n33 n ARG 58 Cb 0.45 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.84 1n33 n ARG 58 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.63 177.75 1n33 s PHE 59 N 0.00 -0.78 0.15 -0.14 5.99 -1.16 -4.90 117.98 117.14 1n33 s PHE 59 Ca 0.00 1.64 0.04 0.00 0.00 0.00 0.00 56.93 58.61 1n33 s PHE 59 Cb 0.00 0.45 -0.04 0.00 0.00 0.00 0.00 43.02 43.43 1n33 s PHE 59 CO 0.00 -0.38 0.15 0.34 -0.00 0.00 0.00 175.22 175.33 1n33 s ASP 60 N 1.13 5.65 -0.08 6.13 3.68 -0.09 -3.37 116.67 129.72 1n33 s ASP 60 Ca -0.06 -0.07 -0.05 0.00 2.13 0.00 0.00 52.55 54.50 1n33 s ASP 60 Cb -0.05 -1.52 0.03 0.00 -1.45 0.00 0.00 42.92 39.94 1n33 s ASP 60 CO -0.13 0.08 0.19 0.00 0.13 0.00 0.00 175.17 175.44 1n33 s ALA 61 N -1.71 -0.44 -0.14 3.66 0.00 -1.26 -1.68 121.76 120.20 1n33 s ALA 61 Ca 0.31 0.70 0.01 0.00 0.00 0.00 0.00 51.96 52.98 1n33 s ALA 61 Cb -0.10 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 1n33 s ALA 61 CO 0.24 -0.14 -0.16 -0.47 0.00 0.00 0.00 175.76 175.23 1n33 s TYR 62 N 0.71 2.76 0.06 0.00 5.04 -0.29 -1.72 117.35 123.91 1n33 s TYR 62 Ca -0.05 -0.87 0.01 0.00 -2.44 0.00 0.00 57.07 53.72 1n33 s TYR 62 Cb -0.07 -1.84 -0.03 0.00 0.35 0.00 0.00 41.96 40.37 1n33 s TYR 62 CO -0.04 -0.35 -0.05 0.96 -1.34 0.00 0.00 175.55 174.73 1n33 s ILE 63 N 0.54 0.41 0.07 3.14 -4.36 -0.75 -1.08 121.20 119.17 1n33 s ILE 63 Ca -0.10 -1.52 0.00 0.00 -0.26 0.00 0.00 60.65 58.78 1n33 s ILE 63 Cb -0.16 -1.13 0.00 0.00 1.25 0.00 0.00 42.46 42.42 1n33 s ILE 63 CO 0.04 -0.74 0.04 0.41 0.24 0.00 0.00 174.94 174.93 1n33 n THR 64 N 0.64 0.00 0.00 8.37 -1.04 0.21 -3.23 114.28 119.23 1n33 n THR 64 Ca -0.17 -0.28 0.00 0.00 -2.04 0.00 0.00 64.05 61.56 1n33 n THR 64 Cb 0.58 -0.31 0.00 0.00 -1.82 0.00 0.00 70.33 68.79 1n33 n THR 64 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1n33 n VAL 65 N -0.53 0.00 -3.49 12.58 3.14 -1.25 -3.60 118.33 125.18 1n33 n VAL 65 Ca -0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 1n33 n VAL 65 Cb 0.08 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 32.81 1n33 n VAL 65 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 1n33 s ARG 66 N -1.11 0.37 0.00 1.45 3.52 -0.85 -5.01 118.95 117.32 1n33 s ARG 66 Ca 0.00 0.89 0.00 0.00 -0.13 0.00 0.00 55.73 56.49 1n33 s ARG 66 Cb 0.00 0.47 0.00 0.00 -1.56 0.00 0.00 34.95 33.86 1n33 s ARG 66 CO 0.00 -0.12 0.00 0.41 -0.81 0.00 0.00 175.30 174.78 1n33 n GLY 67 N 4.89 2.92 1.10 8.12 0.00 -1.26 -3.42 105.19 117.54 1n33 n GLY 67 Ca -0.11 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1n33 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n33 n GLY 68 N 1.19 0.96 3.13 -0.02 0.00 -0.62 -3.72 105.19 106.10 1n33 n GLY 68 Ca 0.00 -1.53 -0.18 0.00 0.00 0.00 0.00 46.02 44.32 1n33 n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n33 s GLY 69 N 0.00 0.75 0.19 -0.02 0.00 -1.26 -5.03 107.32 101.95 1n33 s GLY 69 Ca 0.00 -0.87 -0.05 0.00 0.00 0.00 0.00 44.72 43.79 1n33 s GLY 69 CO 0.00 -0.89 1.08 0.28 0.00 0.00 0.00 173.10 173.57 1n33 n LYS 70 N 1.55 -0.06 0.00 2.90 5.02 -1.26 -0.29 118.16 126.02 1n33 n LYS 70 Ca -0.20 1.08 -0.00 0.00 -2.02 0.00 0.00 58.31 57.16 1n33 n LYS 70 Cb 0.55 -1.61 -0.00 0.00 -0.02 0.00 0.00 35.03 33.94 1n33 n LYS 70 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1n33 h SER 71 N 0.00 -0.02 -0.73 4.39 0.87 -1.98 0.19 113.55 116.27 1n33 h SER 71 Ca 0.33 0.00 0.16 0.00 -1.23 0.00 0.00 61.79 61.06 1n33 h SER 71 Cb 0.52 0.01 -0.14 0.00 -0.44 0.00 0.00 62.40 62.34 1n33 h SER 71 CO -0.71 -0.01 -0.12 0.61 -0.53 0.00 0.00 176.83 176.07 1n33 n GLY 72 N -1.01 -1.16 0.12 5.77 0.00 0.60 0.38 105.19 109.90 1n33 n GLY 72 Ca -0.00 0.76 -0.12 0.00 0.00 0.00 0.00 46.02 46.66 1n33 n GLY 72 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1n33 h GLN 73 N 0.00 -0.17 -1.50 1.61 4.20 -0.85 0.48 115.11 118.88 1n33 h GLN 73 Ca 0.38 0.01 0.45 0.00 0.06 0.00 0.00 58.65 59.56 1n33 h GLN 73 Cb 0.66 0.04 -0.09 0.00 0.30 0.00 0.00 27.48 28.38 1n33 h GLN 73 CO -0.73 -0.11 1.03 0.82 -0.67 0.00 0.00 178.83 179.16 1n33 h ILE 74 N -0.18 0.16 0.00 2.54 1.08 1.02 0.09 117.51 122.23 1n33 h ILE 74 Ca 0.01 -0.02 -0.04 0.00 -0.39 0.00 0.00 64.86 64.41 1n33 h ILE 74 Cb 0.17 0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.01 1n33 h ILE 74 CO -0.03 0.01 -0.40 -0.78 -0.69 0.00 0.00 178.15 176.27 1n33 h ASP 75 N 0.06 0.00 -0.59 1.72 -0.00 0.41 -3.23 116.42 114.80 1n33 h ASP 75 Ca 0.80 -0.28 0.07 0.00 -0.00 0.00 0.00 57.03 57.62 1n33 h ASP 75 Cb 2.85 0.00 -0.10 0.00 -0.00 0.00 0.00 39.33 42.08 1n33 h ASP 75 CO -0.20 0.86 -0.54 0.00 -0.00 0.00 0.00 179.24 179.36 1n33 h ALA 76 N -0.72 -0.62 -0.74 -0.78 0.00 0.12 0.18 119.26 116.70 1n33 h ALA 76 Ca -0.07 0.05 0.17 0.00 0.00 0.00 0.00 54.91 55.07 1n33 h ALA 76 Cb 0.59 1.15 -0.13 0.00 0.00 0.00 0.00 17.79 19.39 1n33 h ALA 76 CO -0.04 -0.98 0.03 0.82 0.00 0.00 0.00 179.25 179.08 1n33 h ILE 77 N -0.27 0.37 -0.26 0.00 2.04 -1.23 1.24 117.51 119.40 1n33 h ILE 77 Ca 0.12 -0.04 0.08 0.00 1.00 0.00 0.00 64.86 66.01 1n33 h ILE 77 Cb 0.55 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1n33 h ILE 77 CO -0.70 0.02 0.35 0.50 0.00 0.00 0.00 178.15 178.32 1n33 h LYS 78 N 0.12 0.00 0.00 2.37 3.11 -0.68 -1.04 116.57 120.46 1n33 h LYS 78 Ca 0.41 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.25 1n33 h LYS 78 Cb 0.72 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.95 1n33 h LYS 78 CO -0.63 0.00 -0.05 1.25 -2.81 0.00 0.00 179.45 177.21 1n33 h LEU 79 N 0.00 0.00 -0.66 5.20 7.12 0.21 -3.19 115.31 123.99 1n33 h LEU 79 Ca 0.12 0.00 0.14 0.00 0.13 0.00 0.00 57.88 58.27 1n33 h LEU 79 Cb 0.81 0.00 -0.12 0.00 -0.53 0.00 0.00 40.66 40.82 1n33 h LEU 79 CO -0.00 0.40 -0.08 1.23 -0.13 0.00 0.00 178.44 179.86 1n33 h GLY 80 N -0.76 0.60 1.60 3.75 0.00 -0.17 2.39 103.07 110.49 1n33 h GLY 80 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1n33 h GLY 80 CO 0.00 -0.25 0.14 1.39 0.00 0.00 0.00 176.54 177.82 1n33 n ILE 81 N -5.38 1.04 -0.08 2.60 5.41 -0.42 0.52 119.36 123.05 1n33 n ILE 81 Ca 0.09 0.68 -0.08 0.00 1.00 0.00 0.00 62.75 64.44 1n33 n ILE 81 Cb 0.37 -1.68 -0.13 0.00 -0.71 0.00 0.00 39.64 37.50 1n33 n ILE 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1n33 n ALA 82 N -1.60 1.59 0.01 -1.39 0.00 0.73 -3.93 120.51 115.93 1n33 n ALA 82 Ca -0.01 -1.07 -0.01 0.00 0.00 0.00 0.00 53.44 52.35 1n33 n ALA 82 Cb 0.16 -0.09 -0.00 0.00 0.00 0.00 0.00 19.45 19.51 1n33 n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n33 h ARG 83 N 0.00 -0.04 -0.50 0.00 3.08 0.60 -3.03 114.38 114.49 1n33 h ARG 83 Ca -0.45 0.00 0.14 0.00 0.07 0.00 0.00 59.98 59.75 1n33 h ARG 83 Cb 2.00 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 32.04 1n33 h ARG 83 CO 0.02 -0.02 0.40 0.00 -1.07 0.00 0.00 179.97 179.29 1n33 h ALA 84 N -1.95 2.38 0.00 0.04 0.00 -1.12 1.26 119.26 119.87 1n33 h ALA 84 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1n33 h ALA 84 Cb 0.03 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1n33 h ALA 84 CO 0.01 -0.65 -0.00 1.25 0.00 0.00 0.00 179.25 179.85 1n33 h LEU 85 N 0.00 0.00 0.00 0.00 5.85 -1.68 0.30 115.31 119.79 1n33 h LEU 85 Ca 0.24 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.75 1n33 h LEU 85 Cb 1.03 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 1n33 h LEU 85 CO -0.00 0.00 -2.02 0.52 -0.34 0.00 0.00 178.44 176.61 1n33 n VAL 86 N -3.60 0.78 0.23 1.05 0.31 0.39 -3.40 118.33 114.10 1n33 n VAL 86 Ca -0.03 -0.60 0.12 0.00 -0.01 0.00 0.00 64.34 63.82 1n33 n VAL 86 Cb 0.08 -0.37 0.63 0.00 -0.91 0.00 0.00 33.84 33.27 1n33 n VAL 86 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1n33 h GLN 87 N 0.00 0.00 0.00 5.55 -0.00 0.16 -2.92 115.11 117.90 1n33 h GLN 87 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.34 1n33 h GLN 87 Cb 1.64 0.00 0.00 0.00 0.00 0.00 0.00 27.48 29.12 1n33 h GLN 87 CO 0.02 0.00 0.00 0.98 0.00 0.00 0.00 178.83 179.83 1n33 n TYR 88 N -2.35 0.00 -3.37 3.99 -0.00 0.88 -4.87 117.16 111.44 1n33 n TYR 88 Ca -0.01 0.00 -0.39 0.00 -0.00 0.00 0.00 57.90 57.50 1n33 n TYR 88 Cb 0.08 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.33 1n33 n TYR 88 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.86 178.07 1n33 s ASN 89 N -1.00 6.26 0.16 2.98 2.47 -1.14 -4.95 114.94 119.72 1n33 s ASN 89 Ca 0.00 0.25 -0.01 0.00 0.42 0.00 0.00 52.86 53.53 1n33 s ASN 89 Cb 0.00 -2.22 0.01 0.00 -1.45 0.00 0.00 41.25 37.59 1n33 s ASN 89 CO 0.00 -0.22 1.39 1.55 -3.72 0.00 0.00 177.10 176.10 1n33 h PRO 90 N 8.20 0.33 0.00 0.43 0.13 -1.84 -2.85 132.00 136.39 1n33 h PRO 90 Ca -0.31 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1n33 h PRO 90 Cb 1.16 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1n33 h PRO 90 CO 0.66 0.99 0.00 -0.25 -0.23 0.00 0.00 178.00 179.16 1n33 n ASP 91 N -3.76 0.00 0.07 1.44 9.92 -1.26 -2.08 116.55 120.88 1n33 n ASP 91 Ca -0.05 -0.48 -0.18 0.00 -0.53 0.00 0.00 54.79 53.55 1n33 n ASP 91 Cb 0.77 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 41.10 1n33 n ASP 91 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 1n33 h TYR 92 N 0.00 0.52 -0.30 1.24 0.99 -1.84 -3.35 116.97 114.23 1n33 h TYR 92 Ca 0.00 -0.38 0.05 0.00 2.00 0.00 0.00 58.73 60.40 1n33 h TYR 92 Cb 0.00 -0.02 -0.08 0.00 1.00 0.00 0.00 36.73 37.63 1n33 h TYR 92 CO 0.00 1.42 -0.51 0.00 -0.00 0.00 0.00 178.16 179.07 1n33 h ARG 93 N 0.08 -0.44 0.00 4.88 3.08 -1.64 -2.94 114.38 117.40 1n33 h ARG 93 Ca -0.25 0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1n33 h ARG 93 Cb 2.03 0.10 0.00 0.00 0.08 0.00 0.00 29.97 32.18 1n33 h ARG 93 CO 0.17 -0.29 0.00 0.00 -1.07 0.00 0.00 179.97 178.78 1n33 n ALA 94 N -3.04 0.00 -0.63 0.04 0.00 -1.26 0.35 120.51 115.97 1n33 n ALA 94 Ca -0.04 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.47 1n33 n ALA 94 Cb 0.36 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.01 1n33 n ALA 94 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1n33 n LYS 95 N -0.35 2.85 -0.00 0.00 4.81 -1.19 -4.27 118.16 120.01 1n33 n LYS 95 Ca 0.00 -2.47 0.09 0.00 -0.87 0.00 0.00 58.31 55.07 1n33 n LYS 95 Cb 0.00 -1.57 -0.14 0.00 0.02 0.00 0.00 35.03 33.33 1n33 n LYS 95 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1n33 n LEU 96 N -0.14 0.13 0.04 3.14 7.94 1.11 -4.29 117.00 124.93 1n33 n LEU 96 Ca 0.16 0.05 -0.19 0.00 -1.11 0.00 0.00 56.01 54.93 1n33 n LEU 96 Cb 0.67 0.03 -0.09 0.00 0.53 0.00 0.00 43.42 44.56 1n33 n LEU 96 CO 0.11 0.02 0.12 0.11 -1.11 0.00 0.00 177.39 176.63 1n33 h LYS 97 N 0.00 0.67 -0.69 1.96 1.79 -1.20 -1.74 116.57 117.37 1n33 h LYS 97 Ca -0.05 -0.70 0.15 0.00 -2.18 0.00 0.00 60.65 57.87 1n33 h LYS 97 Cb 1.11 0.19 -0.12 0.00 -1.58 0.00 0.00 32.23 31.84 1n33 h LYS 97 CO 0.00 1.29 0.01 -1.35 -1.08 0.00 0.00 179.45 178.32 1n33 h PRO 98 N 0.39 0.12 0.05 3.15 0.11 -1.78 0.21 132.00 134.24 1n33 h PRO 98 Ca -0.11 -0.01 -0.23 0.00 0.11 0.00 0.00 66.00 65.76 1n33 h PRO 98 Cb 1.65 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.72 1n33 h PRO 98 CO 0.19 0.08 -1.06 -0.07 -0.21 0.00 0.00 178.00 176.93 1n33 h LEU 99 N 0.12 0.19 -0.48 2.35 -0.00 -1.80 -3.48 115.31 112.20 1n33 h LEU 99 Ca 0.37 -0.20 -0.10 0.00 -0.00 0.00 0.00 57.88 57.95 1n33 h LEU 99 Cb 0.62 -0.06 0.02 0.00 -0.00 0.00 0.00 40.66 41.24 1n33 h LEU 99 CO -0.59 1.12 -0.15 0.61 -0.00 0.00 0.00 178.44 179.43 1n33 n GLY 100 N 1.32 0.47 0.76 0.83 0.00 0.74 -4.87 105.19 104.45 1n33 n GLY 100 Ca -0.04 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1n33 n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1n33 n PHE 101 N -3.36 0.00 -3.30 1.61 3.01 -1.18 -3.48 117.46 110.76 1n33 n PHE 101 Ca -0.02 -0.10 -0.25 0.00 1.01 0.00 0.00 57.45 58.09 1n33 n PHE 101 Cb 0.52 -0.10 -0.08 0.00 -0.01 0.00 0.00 39.48 39.81 1n33 n PHE 101 CO 0.00 0.00 0.00 1.47 1.01 0.00 0.00 176.76 179.24 1n33 n LEU 102 N 0.55 0.05 -3.06 4.37 -0.00 -1.26 -4.52 117.00 113.13 1n33 n LEU 102 Ca 0.00 -4.59 0.01 0.00 -0.00 0.00 0.00 56.01 51.43 1n33 n LEU 102 Cb 0.15 0.53 -0.00 0.00 -0.00 0.00 0.00 43.42 44.10 1n33 n LEU 102 CO 0.00 1.97 0.21 -0.89 -0.00 0.00 0.00 177.39 178.69 1n33 s THR 103 N -0.70 -0.75 -0.51 1.47 2.01 -1.23 -5.08 115.64 110.86 1n33 s THR 103 Ca 0.34 -0.02 -0.32 0.00 0.31 0.00 0.00 61.69 62.00 1n33 s THR 103 Cb 0.11 0.00 -0.16 0.00 0.01 0.00 0.00 72.50 72.46 1n33 s THR 103 CO -0.15 0.00 1.83 -1.14 -0.69 0.00 0.00 174.62 174.48 1n33 n ARG 104 N 4.16 0.00 -1.65 4.92 0.00 -1.26 -4.68 116.66 118.15 1n33 n ARG 104 Ca 0.09 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.66 1n33 n ARG 104 Cb 0.59 -1.19 -0.04 0.00 0.00 0.00 0.00 32.46 31.81 1n33 n ARG 104 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1n33 s ASP 105 N 5.47 4.38 0.47 6.15 2.15 -1.26 -4.79 116.67 129.23 1n33 s ASP 105 Ca 0.99 0.54 0.14 0.00 0.43 0.00 0.00 52.55 54.65 1n33 s ASP 105 Cb -1.14 -2.52 1.11 0.00 -0.30 0.00 0.00 42.92 40.06 1n33 s ASP 105 CO 0.49 -3.16 2.05 0.00 -0.17 0.00 0.00 175.17 174.37 1n33 h ALA 106 N 16.27 2.01 -0.35 3.66 0.00 -1.97 -3.41 119.26 135.46 1n33 h ALA 106 Ca -0.14 -0.01 -0.69 0.00 0.00 0.00 0.00 54.91 54.06 1n33 h ALA 106 Cb 1.15 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1n33 h ALA 106 CO 1.12 -0.08 1.42 0.54 0.00 0.00 0.00 179.25 182.24 1n33 n ARG 107 N -4.48 0.33 -4.22 0.00 1.74 -1.26 -4.91 116.66 103.87 1n33 n ARG 107 Ca 0.05 0.08 -0.17 0.00 -0.77 0.00 0.00 57.85 57.04 1n33 n ARG 107 Cb 0.26 -1.83 -0.14 0.00 -1.02 0.00 0.00 32.46 29.73 1n33 n ARG 107 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1n33 s VAL 108 N 6.98 0.59 0.04 1.55 1.01 -1.26 -4.64 120.40 124.68 1n33 s VAL 108 Ca 1.19 -0.49 -0.38 0.00 0.00 0.00 0.00 61.98 62.29 1n33 s VAL 108 Cb -1.25 -0.53 -0.19 0.00 0.00 0.00 0.00 36.38 34.42 1n33 s VAL 108 CO 0.58 0.04 1.13 0.52 0.00 0.00 0.00 175.10 177.37 1n33 n VAL 109 N 2.57 0.14 -2.16 2.92 0.31 -1.26 -4.95 118.33 115.91 1n33 n VAL 109 Ca -0.15 -0.04 -0.30 0.00 -0.01 0.00 0.00 64.34 63.84 1n33 n VAL 109 Cb 0.57 -0.29 0.00 0.00 -0.91 0.00 0.00 33.84 33.21 1n33 n VAL 109 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1n33 s GLU 110 N 0.08 3.60 1.02 5.55 2.12 -1.26 -5.08 118.70 124.73 1n33 s GLU 110 Ca 0.87 0.58 -0.15 0.00 0.36 0.00 0.00 54.97 56.63 1n33 s GLU 110 Cb -1.14 -2.18 0.20 0.00 0.26 0.00 0.00 34.13 31.27 1n33 s GLU 110 CO 0.54 -0.43 1.14 0.50 -0.54 0.00 0.00 175.26 176.47 1n33 s ARG 111 N -4.96 0.21 -0.41 4.30 3.00 -1.26 -4.94 118.95 114.88 1n33 s ARG 111 Ca 0.53 0.17 -0.05 0.00 -1.00 0.00 0.00 55.73 55.37 1n33 s ARG 111 Cb -0.11 -1.74 0.10 0.00 0.00 0.00 0.00 34.95 33.20 1n33 s ARG 111 CO 0.50 -2.81 0.22 0.21 0.00 0.00 0.00 175.30 173.42 1n33 s LYS 112 N -5.30 2.27 0.65 5.12 2.36 -1.26 -3.54 119.74 120.04 1n33 s LYS 112 Ca 0.67 -1.67 -0.13 0.00 -2.55 0.00 0.00 55.97 52.30 1n33 s LYS 112 Cb -0.13 -3.65 -0.01 0.00 -1.05 0.00 0.00 37.83 32.99 1n33 s LYS 112 CO 0.55 -1.02 1.05 0.15 1.55 0.00 0.00 175.35 177.63 1n33 s LYS 113 N 1.26 3.16 0.73 4.03 3.01 -1.26 -4.80 119.74 125.87 1n33 s LYS 113 Ca 0.05 1.02 -0.11 0.00 -1.01 0.00 0.00 55.97 55.92 1n33 s LYS 113 Cb -0.23 -2.02 0.03 0.00 -1.01 0.00 0.00 37.83 34.60 1n33 s LYS 113 CO -0.02 -0.92 1.07 1.52 0.51 0.00 0.00 175.35 177.51 1n33 s TYR 114 N -2.84 3.04 -1.54 3.18 -0.85 -1.26 -3.74 117.35 113.33 1n33 s TYR 114 Ca 0.60 1.31 0.00 0.00 -0.52 0.00 0.00 57.07 58.46 1n33 s TYR 114 Cb -0.14 -2.97 0.00 0.00 0.38 0.00 0.00 41.96 39.23 1n33 s TYR 114 CO 0.48 -1.40 0.00 0.41 -1.52 0.00 0.00 175.55 173.51 1n33 n GLY 115 N -2.08 0.55 0.00 5.49 0.00 -1.26 -4.94 105.19 102.94 1n33 n GLY 115 Ca 0.07 -0.22 -0.00 0.00 0.00 0.00 0.00 46.02 45.87 1n33 n GLY 115 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n33 n LYS 116 N -2.55 0.00 -0.00 1.61 5.02 -1.25 -4.65 118.16 116.34 1n33 n LYS 116 Ca -0.18 -0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.15 1n33 n LYS 116 Cb 0.60 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.54 1n33 n LYS 116 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1n33 n HIS 117 N -0.00 0.00 0.00 2.13 8.25 0.29 -4.88 115.22 121.01 1n33 n HIS 117 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1n33 n HIS 117 Cb 0.00 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 30.97 1n33 n HIS 117 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1n33 n LYS 118 N -1.61 0.00 0.00 -0.41 2.85 -1.19 -4.97 118.16 112.83 1n33 n LYS 118 Ca -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 1n33 n LYS 118 Cb 0.20 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.58 1n33 n LYS 118 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1n33 n ALA 119 N 0.00 0.00 0.01 0.58 0.00 -1.23 -3.50 120.51 116.37 1n33 n ALA 119 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1n33 n ALA 119 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1n33 n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1n33 n ARG 120 N 0.00 0.02 -0.64 0.00 1.74 -1.26 -4.73 116.66 111.79 1n33 n ARG 120 Ca 0.00 0.01 -0.25 0.00 -0.77 0.00 0.00 57.85 56.84 1n33 n ARG 120 Cb 0.00 -0.27 -0.06 0.00 -1.02 0.00 0.00 32.46 31.11 1n33 n ARG 120 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1n33 n ARG 121 N -2.93 0.00 -4.53 5.56 0.00 -1.23 -4.71 116.66 108.82 1n33 n ARG 121 Ca -0.01 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.50 1n33 n ARG 121 Cb 0.02 -0.72 -0.11 0.00 0.00 0.00 0.00 32.46 31.65 1n33 n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1n33 s ALA 122 N 3.42 3.05 0.32 5.13 0.00 -1.26 -0.55 121.76 131.88 1n33 s ALA 122 Ca 0.60 -0.86 -0.26 0.00 0.00 0.00 0.00 51.96 51.45 1n33 s ALA 122 Cb -0.68 -1.35 -0.14 0.00 0.00 0.00 0.00 23.12 20.95 1n33 s ALA 122 CO 0.29 0.50 0.80 -0.35 0.00 0.00 0.00 175.76 177.00 1n33 n PRO 123 N 2.48 0.92 -2.80 0.00 -0.04 -1.26 -4.95 135.00 129.35 1n33 n PRO 123 Ca -0.18 0.32 -0.25 0.00 -0.04 0.00 0.00 63.50 63.35 1n33 n PRO 123 Cb 0.53 -1.63 0.01 0.00 -0.04 0.00 0.00 33.50 32.37 1n33 n PRO 123 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1n33 s GLN 124 N -1.52 3.20 0.29 0.54 -2.07 -1.26 -5.10 119.66 113.74 1n33 s GLN 124 Ca 0.61 -0.17 0.06 0.00 -1.82 0.00 0.00 55.36 54.05 1n33 s GLN 124 Cb -0.70 -2.45 -0.02 0.00 -1.09 0.00 0.00 33.01 28.75 1n33 s GLN 124 CO 0.58 -0.31 0.23 2.48 -1.32 0.00 0.00 175.29 176.96 1n33 n TYR 125 N -2.22 -0.62 -3.10 9.60 0.18 -1.26 -5.18 117.16 114.56 1n33 n TYR 125 Ca 0.01 -2.42 0.00 0.00 1.88 0.00 0.00 57.90 57.38 1n33 n TYR 125 Cb 0.57 0.23 0.00 0.00 -0.38 0.00 0.00 39.34 39.76 1n33 n TYR 125 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 1n33 n SER 126 N -1.84 0.29 -3.06 9.48 3.41 -1.26 -4.93 113.62 115.70 1n33 n SER 126 Ca 0.06 -0.10 -0.04 0.00 -0.26 0.00 0.00 58.87 58.53 1n33 n SER 126 Cb 0.52 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.47 1n33 n SER 126 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1n33 n LYS 127 N 0.00 -0.99 0.00 4.33 4.01 -1.26 -5.36 118.16 118.89 1n33 n LYS 127 Ca 0.00 -0.15 0.00 0.00 -0.51 0.00 0.00 58.31 57.65 1n33 n LYS 127 Cb 0.00 -0.05 0.00 0.00 -0.51 0.00 0.00 35.03 34.47 1n33 n LYS 127 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16