#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n47 s GLU 2 N 0.00 0.32 0.12 -2.82 2.02 -1.01 -5.01 118.70 112.32 1n47 s GLU 2 Ca 0.00 -0.48 0.05 0.00 0.02 0.00 0.00 54.97 54.56 1n47 s GLU 2 Cb 0.00 0.12 -0.04 0.00 0.10 0.00 0.00 34.13 34.32 1n47 s GLU 2 CO 0.00 -0.06 -0.13 -1.12 0.02 0.00 0.00 175.26 173.97 1n47 s SER 3 N -1.27 1.84 -0.18 -0.19 0.01 -1.26 -0.92 113.70 111.72 1n47 s SER 3 Ca -0.14 -0.82 -0.10 0.00 1.31 0.00 0.00 55.95 56.21 1n47 s SER 3 Cb -0.08 -0.04 0.06 0.00 0.21 0.00 0.00 66.02 66.17 1n47 s SER 3 CO -0.00 -0.18 0.43 -0.89 0.41 0.00 0.00 173.24 173.01 1n47 s THR 4 N -2.27 -0.06 0.09 1.44 2.01 -0.91 -4.97 115.64 110.97 1n47 s THR 4 Ca 0.08 0.09 -0.17 0.00 0.31 0.00 0.00 61.69 62.00 1n47 s THR 4 Cb -0.04 -0.65 0.03 0.00 0.01 0.00 0.00 72.50 71.86 1n47 s THR 4 CO 0.02 0.04 0.40 -0.94 -0.69 0.00 0.00 174.62 173.45 1n47 s SER 5 N 1.50 -0.25 0.01 3.53 1.04 -1.26 -0.65 113.70 117.62 1n47 s SER 5 Ca -0.09 -0.18 -0.28 0.00 0.48 0.00 0.00 55.95 55.88 1n47 s SER 5 Cb -0.08 0.45 0.09 0.00 0.10 0.00 0.00 66.02 66.57 1n47 s SER 5 CO -0.13 -0.76 0.77 0.72 0.98 0.00 0.00 173.24 174.81 1n47 s PHE 6 N -3.19 -0.49 -0.01 5.02 -0.71 -0.90 -5.01 117.98 112.69 1n47 s PHE 6 Ca -0.01 0.55 -0.05 0.00 -1.04 0.00 0.00 56.93 56.38 1n47 s PHE 6 Cb 0.01 0.50 0.00 0.00 -1.21 0.00 0.00 43.02 42.32 1n47 s PHE 6 CO -0.08 -0.62 0.11 -1.54 -1.34 0.00 0.00 175.22 171.76 1n47 s SER 7 N -2.00 0.01 -0.11 1.98 1.04 -1.26 -1.41 113.70 111.95 1n47 s SER 7 Ca -0.01 -0.12 -0.01 0.00 0.48 0.00 0.00 55.95 56.29 1n47 s SER 7 Cb -0.01 0.21 0.03 0.00 0.10 0.00 0.00 66.02 66.35 1n47 s SER 7 CO -0.04 -0.27 -0.05 -0.36 0.98 0.00 0.00 173.24 173.51 1n47 s PHE 8 N -0.99 1.24 -0.36 5.02 0.08 0.21 -4.97 117.98 118.20 1n47 s PHE 8 Ca -0.11 -0.60 0.23 0.00 0.12 0.00 0.00 56.93 56.57 1n47 s PHE 8 Cb -0.06 -1.11 0.11 0.00 -0.57 0.00 0.00 43.02 41.40 1n47 s PHE 8 CO 0.01 -0.47 1.16 1.15 -0.10 0.00 0.00 175.22 176.97 1n47 h THR 9 N 6.25 0.00 -2.27 0.64 2.02 -1.89 -1.59 112.91 116.07 1n47 h THR 9 Ca -0.26 -0.86 0.15 0.00 0.77 0.00 0.00 66.41 66.21 1n47 h THR 9 Cb 1.13 1.42 -0.12 0.00 -1.74 0.00 0.00 68.15 68.84 1n47 h THR 9 CO 0.36 0.00 0.50 0.54 0.37 0.00 0.00 175.52 177.29 1n47 s ASN 10 N -5.12 -0.26 0.50 4.18 4.22 -1.26 -4.77 114.94 112.42 1n47 s ASN 10 Ca 0.02 -0.20 0.04 0.00 -2.14 0.00 0.00 52.86 50.58 1n47 s ASN 10 Cb 0.10 0.42 -0.01 0.00 1.28 0.00 0.00 41.25 43.05 1n47 s ASN 10 CO 0.76 -0.74 0.19 -0.36 -2.04 0.00 0.00 177.10 174.91 1n47 s PHE 11 N -3.17 1.98 0.07 1.54 0.08 -0.94 -5.07 117.98 112.47 1n47 s PHE 11 Ca 0.09 -0.82 0.07 0.00 0.12 0.00 0.00 56.93 56.38 1n47 s PHE 11 Cb -0.01 -1.81 -0.03 0.00 -0.57 0.00 0.00 43.02 40.60 1n47 s PHE 11 CO -0.03 -0.02 -0.18 -0.80 -0.10 0.00 0.00 175.22 174.09 1n47 s ASN 12 N -4.02 2.12 0.58 1.36 0.01 -1.26 -4.22 114.94 109.51 1n47 s ASN 12 Ca 0.25 -0.59 0.39 0.00 -0.71 0.00 0.00 52.86 52.19 1n47 s ASN 12 Cb 0.01 -0.12 2.05 0.00 0.41 0.00 0.00 41.25 43.60 1n47 s ASN 12 CO 0.15 0.04 2.18 -0.65 -1.51 0.00 0.00 177.10 177.30 1n47 h PRO 13 N 4.45 0.00 -1.57 -0.60 0.11 -1.77 -2.53 132.00 130.09 1n47 h PRO 13 Ca -0.42 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.06 1n47 h PRO 13 Cb 1.18 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 31.90 1n47 h PRO 13 CO 0.41 0.00 -0.36 0.27 -0.21 0.00 0.00 178.00 178.12 1n47 n ASN 14 N -2.90 5.32 -4.57 -2.05 6.94 -1.26 -4.73 115.26 112.01 1n47 n ASN 14 Ca -0.02 -3.75 -0.33 0.00 -0.02 0.00 0.00 54.58 50.46 1n47 n ASN 14 Cb 0.09 -0.58 -0.04 0.00 -2.36 0.00 0.00 39.78 36.89 1n47 n ASN 14 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 1n47 s GLN 15 N -3.65 2.98 0.44 -3.83 2.00 -0.95 -4.82 119.66 111.83 1n47 s GLN 15 Ca 0.49 -1.12 0.27 0.00 -2.00 0.00 0.00 55.36 53.00 1n47 s GLN 15 Cb 0.41 -5.28 1.46 0.00 0.80 0.00 0.00 33.01 30.40 1n47 s GLN 15 CO -0.22 -3.21 1.81 -0.91 -0.50 0.00 0.00 175.29 172.25 1n47 h ASN 16 N 9.67 0.00 -0.62 6.67 -0.26 -1.94 -2.08 115.58 127.01 1n47 h ASN 16 Ca 0.23 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.97 1n47 h ASN 16 Cb 0.95 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.21 1n47 h ASN 16 CO 1.30 0.00 0.00 -0.46 -1.06 0.00 0.00 177.43 177.21 1n47 n ASN 17 N -2.49 3.92 -4.48 5.81 6.94 -1.26 -4.86 115.26 118.84 1n47 n ASN 17 Ca -0.02 -2.20 -0.27 0.00 -0.02 0.00 0.00 54.58 52.08 1n47 n ASN 17 Cb 0.13 -0.49 -0.11 0.00 -2.36 0.00 0.00 39.78 36.95 1n47 n ASN 17 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1n47 s LEU 18 N -1.35 2.63 -0.33 -4.53 1.43 -0.78 -1.30 118.68 114.45 1n47 s LEU 18 Ca 0.45 -0.79 -0.05 0.00 -1.03 0.00 0.00 54.13 52.72 1n47 s LEU 18 Cb 0.26 -1.33 0.05 0.00 0.03 0.00 0.00 46.19 45.20 1n47 s LEU 18 CO 0.26 0.11 0.07 -0.63 0.23 0.00 0.00 176.35 176.39 1n47 s ILE 19 N -1.76 3.48 -0.06 -0.59 1.01 0.23 -4.81 121.20 118.70 1n47 s ILE 19 Ca 0.23 -1.27 -0.22 0.00 0.00 0.00 0.00 60.65 59.39 1n47 s ILE 19 Cb -0.08 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 1n47 s ILE 19 CO 0.12 -0.18 0.66 -0.76 0.00 0.00 0.00 174.94 174.78 1n47 s LEU 20 N 1.34 4.34 -0.02 2.97 1.02 -1.26 -1.46 118.68 125.60 1n47 s LEU 20 Ca -0.02 1.15 0.07 0.00 0.02 0.00 0.00 54.13 55.35 1n47 s LEU 20 Cb -0.20 -3.02 -0.02 0.00 0.02 0.00 0.00 46.19 42.98 1n47 s LEU 20 CO 0.01 -0.06 -0.23 -1.10 0.02 0.00 0.00 176.35 174.99 1n47 s GLN 21 N 0.57 1.95 4.00 1.70 -0.21 0.12 -4.98 119.66 122.80 1n47 s GLN 21 Ca 0.35 -0.84 0.00 0.00 0.02 0.00 0.00 55.36 54.89 1n47 s GLN 21 Cb -0.18 -1.85 0.00 0.00 1.00 0.00 0.00 33.01 31.98 1n47 s GLN 21 CO 0.17 0.49 0.00 0.39 -2.12 0.00 0.00 175.29 174.22 1n47 n GLU 22 N 2.56 0.00 0.18 2.91 -0.58 -1.26 -2.25 120.64 122.19 1n47 n GLU 22 Ca -0.16 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.65 1n47 n GLU 22 Cb 0.52 0.00 0.17 0.00 -0.57 0.00 0.00 31.44 31.56 1n47 n GLU 22 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1n47 h ASP 23 N 0.00 0.00 -1.97 1.62 3.45 -1.63 -3.47 116.42 114.42 1n47 h ASP 23 Ca 0.00 0.00 -0.63 0.00 0.43 0.00 0.00 57.03 56.83 1n47 h ASP 23 Cb 0.00 0.00 0.11 0.00 -0.56 0.00 0.00 39.33 38.88 1n47 h ASP 23 CO 0.00 0.30 -0.04 0.00 -1.57 0.00 0.00 179.24 177.93 1n47 n ALA 24 N -2.19 -1.10 -3.48 3.45 0.00 -1.05 -4.75 120.51 111.40 1n47 n ALA 24 Ca 0.02 0.42 -0.13 0.00 0.00 0.00 0.00 53.44 53.74 1n47 n ALA 24 Cb 0.61 -1.90 -0.04 0.00 0.00 0.00 0.00 19.45 18.12 1n47 n ALA 24 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1n47 s LEU 25 N 1.19 -0.55 -0.14 0.00 0.20 -0.66 -4.73 118.68 113.99 1n47 s LEU 25 Ca 0.62 0.28 -0.01 0.00 0.69 0.00 0.00 54.13 55.71 1n47 s LEU 25 Cb -0.79 2.41 -0.02 0.00 -0.43 0.00 0.00 46.19 47.36 1n47 s LEU 25 CO 0.58 -0.73 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.11 1n47 s VAL 26 N -2.53 3.23 1.00 1.68 1.01 -1.26 0.40 120.40 123.92 1n47 s VAL 26 Ca -0.03 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.25 1n47 s VAL 26 Cb -0.01 -2.38 0.16 0.00 0.00 0.00 0.00 36.38 34.16 1n47 s VAL 26 CO -0.03 0.51 0.95 0.59 0.00 0.00 0.00 175.10 177.11 1n47 n ASN 27 N 3.67 -0.65 0.26 3.32 4.13 -0.85 -4.40 115.26 120.73 1n47 n ASN 27 Ca -0.18 0.24 0.14 0.00 1.68 0.00 0.00 54.58 56.46 1n47 n ASN 27 Cb 0.52 -1.36 0.65 0.00 -1.54 0.00 0.00 39.78 38.05 1n47 n ASN 27 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 1n47 h SER 28 N -2.06 0.00 -0.12 6.41 4.64 -1.97 -2.06 113.55 118.39 1n47 h SER 28 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1n47 h SER 28 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1n47 h SER 28 CO 0.42 0.12 0.00 0.00 -0.87 0.00 0.00 176.83 176.50 1n47 n ALA 29 N -2.19 2.54 -2.22 5.18 0.00 -1.26 -4.94 120.51 117.62 1n47 n ALA 29 Ca -0.00 -0.39 -0.06 0.00 0.00 0.00 0.00 53.44 52.98 1n47 n ALA 29 Cb 0.32 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1n47 n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n47 n GLY 30 N 1.01 0.21 3.33 0.00 0.00 -0.78 -4.89 105.19 104.07 1n47 n GLY 30 Ca 0.15 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 1n47 n GLY 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n47 s THR 31 N -2.42 3.15 -0.29 2.61 2.01 -1.26 -2.21 115.64 117.22 1n47 s THR 31 Ca 0.03 -0.60 -0.29 0.00 0.31 0.00 0.00 61.69 61.14 1n47 s THR 31 Cb -0.01 -2.38 -0.01 0.00 0.01 0.00 0.00 72.50 70.11 1n47 s THR 31 CO 0.03 0.48 1.59 -0.22 -0.69 0.00 0.00 174.62 175.81 1n47 s LEU 32 N 0.93 3.73 -0.52 4.42 2.96 -0.59 -2.00 118.68 127.61 1n47 s LEU 32 Ca -0.02 1.34 -0.13 0.00 -0.22 0.00 0.00 54.13 55.10 1n47 s LEU 32 Cb -0.15 -3.53 0.13 0.00 0.50 0.00 0.00 46.19 43.14 1n47 s LEU 32 CO -0.00 -1.39 0.44 -1.61 -1.32 0.00 0.00 176.35 172.47 1n47 s GLU 33 N 4.92 2.79 0.12 1.98 2.02 0.16 -1.21 118.70 129.48 1n47 s GLU 33 Ca 0.70 -1.74 -0.15 0.00 0.02 0.00 0.00 54.97 53.80 1n47 s GLU 33 Cb -0.21 -4.16 -0.03 0.00 0.10 0.00 0.00 34.13 29.83 1n47 s GLU 33 CO 0.30 -1.28 1.55 -0.07 0.02 0.00 0.00 175.26 175.78 1n47 h LEU 34 N 8.72 0.67 -9.43 1.80 3.38 -1.70 -1.76 115.31 116.99 1n47 h LEU 34 Ca -0.26 -0.32 -0.64 0.00 0.09 0.00 0.00 57.88 56.75 1n47 h LEU 34 Cb 1.09 -0.18 -0.13 0.00 0.09 0.00 0.00 40.66 41.53 1n47 h LEU 34 CO 0.97 0.83 -0.68 0.42 0.09 0.00 0.00 178.44 180.07 1n47 s THR 35 N -4.93 3.72 0.41 0.22 -4.23 -1.26 -3.31 115.64 106.25 1n47 s THR 35 Ca -0.13 -1.24 -0.26 0.00 -1.18 0.00 0.00 61.69 58.87 1n47 s THR 35 Cb 0.10 -2.80 -0.09 0.00 1.34 0.00 0.00 72.50 71.04 1n47 s THR 35 CO 0.79 0.02 1.41 0.00 -0.54 0.00 0.00 174.62 176.30 1n47 s ALA 36 N -1.45 3.34 -0.15 3.99 0.00 -1.26 -4.73 121.76 121.50 1n47 s ALA 36 Ca 0.25 1.43 -0.00 0.00 0.00 0.00 0.00 51.96 53.64 1n47 s ALA 36 Cb -0.11 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.48 1n47 s ALA 36 CO 0.17 -1.04 -0.09 0.08 0.00 0.00 0.00 175.76 174.88 1n47 s VAL 37 N -1.19 1.26 0.00 0.00 1.01 -1.26 -2.34 120.40 117.87 1n47 s VAL 37 Ca 0.57 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1n47 s VAL 37 Cb -0.43 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.64 1n47 s VAL 37 CO 0.56 0.28 0.05 0.00 0.00 0.00 0.00 175.10 175.99 1n47 n ALA 38 N 4.85 -0.01 -0.01 5.51 0.00 -0.31 -4.79 120.51 125.75 1n47 n ALA 38 Ca -0.14 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.35 1n47 n ALA 38 Cb 0.49 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.86 1n47 n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n47 n ALA 39 N -0.75 2.35 0.00 0.00 0.00 -1.26 -4.84 120.51 116.01 1n47 n ALA 39 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1n47 n ALA 39 Cb 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.12 1n47 n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n47 n GLY 40 N 1.94 0.00 3.58 0.00 0.00 -1.26 -5.14 105.19 104.31 1n47 n GLY 40 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1n47 n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n47 s ALA 41 N 0.00 2.96 0.43 4.61 0.00 -1.26 -5.02 121.76 123.48 1n47 s ALA 41 Ca 0.00 -1.06 -0.22 0.00 0.00 0.00 0.00 51.96 50.68 1n47 s ALA 41 Cb 0.00 -1.07 -0.10 0.00 0.00 0.00 0.00 23.12 21.96 1n47 s ALA 41 CO 0.00 0.61 1.00 -1.25 0.00 0.00 0.00 175.76 176.12 1n47 s PRO 42 N -1.48 4.11 0.03 0.00 0.05 -1.26 -1.17 135.00 135.28 1n47 s PRO 42 Ca 0.17 1.31 -0.00 0.00 0.05 0.00 0.00 61.00 62.53 1n47 s PRO 42 Cb -0.11 -2.30 -0.04 0.00 0.05 0.00 0.00 34.50 32.10 1n47 s PRO 42 CO 0.08 -0.16 0.15 0.08 0.05 0.00 0.00 177.00 177.20 1n47 s VAL 43 N -1.93 5.12 0.85 -0.36 1.01 -0.99 -4.86 120.40 119.25 1n47 s VAL 43 Ca 0.62 -0.38 -0.12 0.00 0.00 0.00 0.00 61.98 62.09 1n47 s VAL 43 Cb -0.15 -3.43 0.10 0.00 0.00 0.00 0.00 36.38 32.90 1n47 s VAL 43 CO 0.20 0.24 1.14 -2.84 0.00 0.00 0.00 175.10 173.83 1n47 s PRO 44 N -2.15 1.61 -0.42 2.72 0.02 -1.26 -3.90 135.00 131.62 1n47 s PRO 44 Ca 0.29 0.33 0.00 0.00 0.02 0.00 0.00 61.00 61.64 1n47 s PRO 44 Cb -0.13 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.50 1n47 s PRO 44 CO 0.21 -1.88 0.00 -0.25 -0.33 0.00 0.00 177.00 174.75 1n47 n ASP 45 N -3.55 -4.99 -4.80 2.53 8.00 0.02 -4.95 116.55 108.80 1n47 n ASP 45 Ca 0.07 0.10 -0.38 0.00 0.71 0.00 0.00 54.79 55.29 1n47 n ASP 45 Cb 0.59 -2.84 -0.06 0.00 -0.02 0.00 0.00 41.12 38.79 1n47 n ASP 45 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1n47 s SER 46 N -2.23 7.14 -0.02 -2.24 0.15 -1.25 -4.91 113.70 110.34 1n47 s SER 46 Ca 0.00 1.39 -0.01 0.00 0.70 0.00 0.00 55.95 58.03 1n47 s SER 46 Cb 0.00 -2.41 0.02 0.00 -1.71 0.00 0.00 66.02 61.92 1n47 s SER 46 CO 0.00 0.21 0.04 -0.22 1.20 0.00 0.00 173.24 174.47 1n47 s LEU 47 N -1.32 1.38 -0.28 3.45 0.20 -1.26 -0.83 118.68 120.03 1n47 s LEU 47 Ca 0.34 0.08 -0.21 0.00 0.69 0.00 0.00 54.13 55.02 1n47 s LEU 47 Cb -0.20 0.05 0.08 0.00 -0.43 0.00 0.00 46.19 45.69 1n47 s LEU 47 CO 0.21 -0.08 0.76 -0.83 -0.29 0.00 0.00 176.35 176.12 1n47 s GLY 48 N 0.64 -0.50 0.06 7.98 0.00 -0.62 -1.81 107.32 113.08 1n47 s GLY 48 Ca -0.05 2.31 0.05 0.00 0.00 0.00 0.00 44.72 47.03 1n47 s GLY 48 CO -0.02 2.04 -0.14 0.50 0.00 0.00 0.00 173.10 175.48 1n47 s ARG 49 N 0.85 0.86 -0.01 2.90 0.52 -0.96 -1.79 118.95 121.32 1n47 s ARG 49 Ca -0.04 -0.89 0.01 0.00 -0.52 0.00 0.00 55.73 54.29 1n47 s ARG 49 Cb -0.05 -0.87 0.01 0.00 0.52 0.00 0.00 34.95 34.56 1n47 s ARG 49 CO -0.08 0.20 -0.02 0.00 0.02 0.00 0.00 175.30 175.42 1n47 s ALA 50 N -1.13 0.32 0.06 2.13 0.00 -0.54 0.11 121.76 122.71 1n47 s ALA 50 Ca -0.01 -0.03 0.04 0.00 0.00 0.00 0.00 51.96 51.96 1n47 s ALA 50 Cb -0.09 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 1n47 s ALA 50 CO 0.02 0.02 -0.11 -0.51 0.00 0.00 0.00 175.76 175.18 1n47 s LEU 51 N 0.36 2.27 0.34 0.00 1.43 -0.54 -1.52 118.68 121.02 1n47 s LEU 51 Ca -0.03 -0.59 -0.27 0.00 -1.03 0.00 0.00 54.13 52.20 1n47 s LEU 51 Cb -0.06 -0.35 -0.09 0.00 0.03 0.00 0.00 46.19 45.71 1n47 s LEU 51 CO -0.01 -0.14 1.15 -0.47 0.23 0.00 0.00 176.35 177.11 1n47 s TYR 52 N -1.36 3.28 0.28 0.29 5.04 -1.06 0.74 117.35 124.56 1n47 s TYR 52 Ca -0.05 1.60 -0.01 0.00 -2.44 0.00 0.00 57.07 56.16 1n47 s TYR 52 Cb -0.10 -3.36 0.39 0.00 0.35 0.00 0.00 41.96 39.24 1n47 s TYR 52 CO 0.01 -1.03 1.83 0.00 -1.34 0.00 0.00 175.55 175.03 1n47 h ALA 53 N 3.18 1.21 -2.80 3.97 0.00 -1.51 -3.43 119.26 119.88 1n47 h ALA 53 Ca -0.48 -0.20 -0.57 0.00 0.00 0.00 0.00 54.91 53.66 1n47 h ALA 53 Cb 1.22 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 1n47 h ALA 53 CO 0.65 0.55 -0.07 0.00 0.00 0.00 0.00 179.25 180.37 1n47 s ALA 54 N -5.24 3.49 0.77 0.00 0.00 -1.26 -5.04 121.76 114.48 1n47 s ALA 54 Ca -0.10 -0.07 -0.14 0.00 0.00 0.00 0.00 51.96 51.65 1n47 s ALA 54 Cb 0.16 -2.69 0.06 0.00 0.00 0.00 0.00 23.12 20.65 1n47 s ALA 54 CO 0.80 0.11 1.20 -2.14 0.00 0.00 0.00 175.76 175.73 1n47 s PRO 55 N 0.13 1.86 0.05 0.00 0.02 -1.26 -4.87 135.00 130.93 1n47 s PRO 55 Ca 0.29 1.75 0.09 0.00 0.02 0.00 0.00 61.00 63.14 1n47 s PRO 55 Cb -0.17 -1.80 -0.03 0.00 0.02 0.00 0.00 34.50 32.52 1n47 s PRO 55 CO 0.14 -2.04 -0.24 0.96 -0.33 0.00 0.00 177.00 175.49 1n47 s ILE 56 N -2.09 1.97 -0.61 2.83 -5.25 0.95 -4.89 121.20 114.10 1n47 s ILE 56 Ca 0.73 -1.35 -0.23 0.00 -0.99 0.00 0.00 60.65 58.82 1n47 s ILE 56 Cb -0.29 -1.70 0.05 0.00 2.95 0.00 0.00 42.46 43.48 1n47 s ILE 56 CO 0.48 0.29 0.95 -2.28 -1.79 0.00 0.00 174.94 172.60 1n47 s HIS 57 N -0.82 2.72 -0.07 1.37 5.65 -1.26 -2.03 115.29 120.84 1n47 s HIS 57 Ca 0.10 -0.29 0.22 0.00 0.25 0.00 0.00 55.06 55.34 1n47 s HIS 57 Cb -0.10 -4.18 -0.33 0.00 -1.18 0.00 0.00 32.58 26.80 1n47 s HIS 57 CO 0.02 -1.51 0.51 1.51 -0.65 0.00 0.00 174.74 174.62 1n47 n ILE 58 N 6.05 0.01 -3.48 0.89 3.06 -0.71 -4.73 119.36 120.45 1n47 n ILE 58 Ca -0.01 -0.48 -0.11 0.00 -2.50 0.00 0.00 62.75 59.64 1n47 n ILE 58 Cb 0.46 0.03 -0.03 0.00 0.54 0.00 0.00 39.64 40.65 1n47 n ILE 58 CO 0.00 0.00 0.00 -1.38 -2.50 0.00 0.00 176.55 172.67 1n47 s HIS 59 N -3.50 -0.46 -0.28 9.51 -3.43 -1.22 -0.37 115.29 115.55 1n47 s HIS 59 Ca -0.07 0.42 0.12 0.00 -0.80 0.00 0.00 55.06 54.73 1n47 s HIS 59 Cb 0.14 0.52 0.47 0.00 -1.43 0.00 0.00 32.58 32.28 1n47 s HIS 59 CO 0.91 -0.64 1.17 -0.40 -2.00 0.00 0.00 174.74 173.77 1n47 n ASP 60 N -0.04 3.79 0.00 7.38 5.68 -0.81 -4.50 116.55 128.05 1n47 n ASP 60 Ca -0.13 -3.21 0.00 0.00 -0.50 0.00 0.00 54.79 50.95 1n47 n ASP 60 Cb 0.62 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 1n47 n ASP 60 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1n47 n ASN 61 N -0.67 0.00 -0.04 -1.12 3.02 -1.26 -4.57 115.26 110.62 1n47 n ASN 61 Ca 0.32 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.86 1n47 n ASN 61 Cb 0.91 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.98 1n47 n ASN 61 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1n47 n THR 62 N 0.00 0.51 -4.96 3.41 -2.24 -1.26 -5.02 114.28 104.72 1n47 n THR 62 Ca 0.00 -0.44 -0.28 0.00 -2.27 0.00 0.00 64.05 61.06 1n47 n THR 62 Cb 0.00 -0.32 -0.15 0.00 -2.10 0.00 0.00 70.33 67.76 1n47 n THR 62 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1n47 s THR 63 N -2.56 1.80 0.18 4.28 2.01 -1.26 -5.13 115.64 114.96 1n47 s THR 63 Ca -0.06 -1.09 -0.04 0.00 0.31 0.00 0.00 61.69 60.81 1n47 s THR 63 Cb 0.06 -1.52 -0.05 0.00 0.01 0.00 0.00 72.50 70.99 1n47 s THR 63 CO 0.53 0.40 0.41 -0.76 -0.69 0.00 0.00 174.62 174.52 1n47 s LEU 64 N -0.81 4.22 0.44 4.42 1.43 -1.26 -1.93 118.68 125.19 1n47 s LEU 64 Ca 0.09 0.58 -0.03 0.00 -1.03 0.00 0.00 54.13 53.74 1n47 s LEU 64 Cb -0.09 -3.33 -0.03 0.00 0.03 0.00 0.00 46.19 42.77 1n47 s LEU 64 CO 0.00 -0.01 0.70 0.00 0.23 0.00 0.00 176.35 177.27 1n47 s ALA 65 N -1.78 3.54 0.02 4.21 0.00 0.50 -4.55 121.76 123.70 1n47 s ALA 65 Ca 0.41 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.67 1n47 s ALA 65 Cb -0.12 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.59 1n47 s ALA 65 CO 0.26 -0.28 0.03 -1.12 0.00 0.00 0.00 175.76 174.65 1n47 s SER 66 N -4.11 5.27 0.09 0.00 0.01 0.22 -4.41 113.70 110.77 1n47 s SER 66 Ca 0.45 -0.00 -0.05 0.00 1.31 0.00 0.00 55.95 57.66 1n47 s SER 66 Cb -0.10 -1.39 -0.02 0.00 0.21 0.00 0.00 66.02 64.72 1n47 s SER 66 CO 0.41 0.25 0.11 0.72 0.41 0.00 0.00 173.24 175.14 1n47 s PHE 67 N -1.18 0.40 -0.05 2.43 -0.12 -1.01 -0.33 117.98 118.11 1n47 s PHE 67 Ca 0.22 -0.86 -0.04 0.00 -0.05 0.00 0.00 56.93 56.21 1n47 s PHE 67 Cb -0.12 -0.23 0.02 0.00 -0.63 0.00 0.00 43.02 42.07 1n47 s PHE 67 CO 0.14 -0.50 0.14 0.99 -0.05 0.00 0.00 175.22 175.93 1n47 s THR 68 N -3.92 -0.01 -0.04 -4.49 2.01 -0.14 -1.53 115.64 107.52 1n47 s THR 68 Ca 0.09 0.04 -0.04 0.00 0.31 0.00 0.00 61.69 62.10 1n47 s THR 68 Cb 0.06 -0.21 0.01 0.00 0.01 0.00 0.00 72.50 72.37 1n47 s THR 68 CO -0.08 0.02 0.10 0.28 -0.69 0.00 0.00 174.62 174.25 1n47 s THR 69 N 0.33 0.01 -0.04 -0.82 -1.32 -0.80 -0.98 115.64 112.01 1n47 s THR 69 Ca -0.02 -0.06 0.04 0.00 -1.21 0.00 0.00 61.69 60.44 1n47 s THR 69 Cb -0.03 -0.17 -0.00 0.00 -1.51 0.00 0.00 72.50 70.78 1n47 s THR 69 CO -0.01 -0.03 -0.16 -0.44 -2.21 0.00 0.00 174.62 171.76 1n47 s SER 70 N -0.06 2.04 0.10 8.08 0.01 0.26 -1.64 113.70 122.50 1n47 s SER 70 Ca -0.01 -0.33 -0.15 0.00 1.31 0.00 0.00 55.95 56.77 1n47 s SER 70 Cb -0.01 -0.55 0.03 0.00 0.21 0.00 0.00 66.02 65.69 1n47 s SER 70 CO 0.00 0.15 0.36 0.72 0.41 0.00 0.00 173.24 174.88 1n47 s PHE 71 N 0.04 -0.14 -0.04 2.43 -0.12 -0.92 0.44 117.98 119.66 1n47 s PHE 71 Ca -0.03 -0.14 0.05 0.00 -0.05 0.00 0.00 56.93 56.75 1n47 s PHE 71 Cb -0.11 0.19 -0.01 0.00 -0.63 0.00 0.00 43.02 42.46 1n47 s PHE 71 CO 0.02 -0.64 -0.19 -1.12 -0.05 0.00 0.00 175.22 173.24 1n47 s SER 72 N -2.65 2.31 0.21 1.98 0.01 -0.93 -0.71 113.70 113.93 1n47 s SER 72 Ca 0.02 -0.38 0.02 0.00 1.31 0.00 0.00 55.95 56.92 1n47 s SER 72 Cb 0.02 -0.58 -0.05 0.00 0.21 0.00 0.00 66.02 65.62 1n47 s SER 72 CO -0.10 0.18 0.03 0.72 0.41 0.00 0.00 173.24 174.48 1n47 s PHE 73 N -0.08 1.41 -0.01 2.43 -0.12 -1.04 -0.08 117.98 120.49 1n47 s PHE 73 Ca -0.02 -1.04 0.01 0.00 -0.05 0.00 0.00 56.93 55.83 1n47 s PHE 73 Cb -0.11 -0.81 0.00 0.00 -0.63 0.00 0.00 43.02 41.47 1n47 s PHE 73 CO 0.02 -0.20 -0.05 0.08 -0.05 0.00 0.00 175.22 175.02 1n47 s VAL 74 N -3.62 0.41 -0.13 -2.49 1.01 -0.49 -1.37 120.40 113.71 1n47 s VAL 74 Ca 0.29 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.10 1n47 s VAL 74 Cb 0.07 -0.37 -0.00 0.00 0.00 0.00 0.00 36.38 36.08 1n47 s VAL 74 CO 0.08 0.13 -0.18 -0.04 0.00 0.00 0.00 175.10 175.10 1n47 s MET 75 N 0.07 3.20 -0.09 2.72 -1.94 -1.26 -1.54 119.30 120.45 1n47 s MET 75 Ca -0.00 -0.78 0.02 0.00 -1.71 0.00 0.00 55.69 53.22 1n47 s MET 75 Cb -0.04 -2.53 -0.02 0.00 2.01 0.00 0.00 34.83 34.25 1n47 s MET 75 CO -0.00 0.10 -0.14 0.00 -0.01 0.00 0.00 175.02 174.97 1n47 s ALA 76 N 0.58 2.64 -0.05 3.03 0.00 -1.26 -1.39 121.76 125.31 1n47 s ALA 76 Ca -0.10 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1n47 s ALA 76 Cb -0.16 -1.10 0.02 0.00 0.00 0.00 0.00 23.12 21.88 1n47 s ALA 76 CO 0.03 0.39 -0.02 0.00 0.00 0.00 0.00 175.76 176.16 1n47 s ALA 77 N -0.13 0.63 0.23 0.00 0.00 -1.26 -0.75 121.76 120.48 1n47 s ALA 77 Ca -0.01 -0.05 -0.06 0.00 0.00 0.00 0.00 51.96 51.84 1n47 s ALA 77 Cb -0.14 -0.51 0.37 0.00 0.00 0.00 0.00 23.12 22.84 1n47 s ALA 77 CO 0.03 -0.16 1.76 -1.35 0.00 0.00 0.00 175.76 176.04 1n47 h PRO 78 N 7.55 0.51 -3.73 0.00 0.11 -1.94 -3.38 132.00 131.12 1n47 h PRO 78 Ca -0.33 -0.03 -0.47 0.00 0.11 0.00 0.00 66.00 65.28 1n47 h PRO 78 Cb 1.14 -0.11 -0.38 0.00 0.11 0.00 0.00 31.00 31.75 1n47 h PRO 78 CO 0.41 0.34 -0.77 0.00 -0.21 0.00 0.00 178.00 177.76 1n47 s ALA 79 N -6.05 0.87 -1.70 -0.75 0.00 -1.26 -5.00 121.76 107.87 1n47 s ALA 79 Ca -0.13 -0.34 0.11 0.00 0.00 0.00 0.00 51.96 51.60 1n47 s ALA 79 Cb 0.19 -0.89 0.58 0.00 0.00 0.00 0.00 23.12 23.00 1n47 s ALA 79 CO 0.76 -0.65 1.15 0.00 0.00 0.00 0.00 175.76 177.03 1n47 n ALA 80 N 5.09 1.76 0.00 0.00 0.00 -1.26 -2.13 120.51 123.98 1n47 n ALA 80 Ca -0.08 -0.06 -0.09 0.00 0.00 0.00 0.00 53.44 53.21 1n47 n ALA 80 Cb 0.49 -1.17 -0.14 0.00 0.00 0.00 0.00 19.45 18.64 1n47 n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n47 h ALA 81 N 2.57 0.66 -3.43 0.00 0.00 -1.95 -3.43 119.26 113.67 1n47 h ALA 81 Ca 0.00 -1.33 -0.60 0.00 0.00 0.00 0.00 54.91 52.98 1n47 h ALA 81 Cb 0.05 0.34 -0.39 0.00 0.00 0.00 0.00 17.79 17.79 1n47 h ALA 81 CO 0.00 1.49 -0.76 0.00 0.00 0.00 0.00 179.25 179.98 1n47 s ALA 82 N -2.62 1.87 0.04 0.00 0.00 -0.90 -5.10 121.76 115.04 1n47 s ALA 82 Ca -0.04 -1.61 -0.02 0.00 0.00 0.00 0.00 51.96 50.30 1n47 s ALA 82 Cb 0.08 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 1n47 s ALA 82 CO 0.82 -1.45 0.00 0.14 0.00 0.00 0.00 175.76 175.28 1n47 s VAL 83 N 1.44 0.16 -0.16 0.00 -7.23 -1.26 -2.53 120.40 110.81 1n47 s VAL 83 Ca 0.03 -1.28 -0.33 0.00 -1.81 0.00 0.00 61.98 58.59 1n47 s VAL 83 Cb -0.18 -0.87 0.13 0.00 0.56 0.00 0.00 36.38 36.02 1n47 s VAL 83 CO -0.13 -0.71 1.13 0.00 -0.31 0.00 0.00 175.10 175.08 1n47 s ALA 84 N -2.63 -2.01 -0.03 1.32 0.00 -1.21 -4.56 121.76 112.64 1n47 s ALA 84 Ca -0.05 1.51 0.07 0.00 0.00 0.00 0.00 51.96 53.49 1n47 s ALA 84 Cb -0.01 -0.21 -0.11 0.00 0.00 0.00 0.00 23.12 22.79 1n47 s ALA 84 CO -0.05 -0.55 0.13 -0.25 0.00 0.00 0.00 175.76 175.04 1n47 n ASP 85 N 0.03 3.25 0.00 0.00 8.00 -0.36 -3.08 116.55 124.40 1n47 n ASP 85 Ca -0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.47 1n47 n ASP 85 Cb 0.59 1.18 0.00 0.00 -0.02 0.00 0.00 41.12 42.86 1n47 n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n47 n GLY 86 N 2.19 0.83 3.01 0.44 0.00 -1.23 -1.62 105.19 108.81 1n47 n GLY 86 Ca -0.04 -2.03 -0.09 0.00 0.00 0.00 0.00 46.02 43.86 1n47 n GLY 86 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1n47 s LEU 87 N 0.00 2.29 0.03 0.99 0.05 -0.91 -3.27 118.68 117.85 1n47 s LEU 87 Ca 0.00 -0.59 0.02 0.00 0.05 0.00 0.00 54.13 53.60 1n47 s LEU 87 Cb 0.00 0.10 -0.02 0.00 -2.05 0.00 0.00 46.19 44.22 1n47 s LEU 87 CO 0.00 -0.35 -0.06 0.00 -0.55 0.00 0.00 176.35 175.39 1n47 s ALA 88 N -1.89 0.43 -0.05 1.48 0.00 0.09 -0.35 121.76 121.48 1n47 s ALA 88 Ca -0.11 -0.58 -0.04 0.00 0.00 0.00 0.00 51.96 51.23 1n47 s ALA 88 Cb -0.07 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 1n47 s ALA 88 CO -0.02 -0.02 0.14 0.12 0.00 0.00 0.00 175.76 175.98 1n47 s PHE 89 N -1.06 3.51 0.08 0.00 5.36 -0.55 -0.98 117.98 124.35 1n47 s PHE 89 Ca -0.08 0.38 -0.20 0.00 -0.96 0.00 0.00 56.93 56.07 1n47 s PHE 89 Cb -0.08 -1.85 0.05 0.00 -0.34 0.00 0.00 43.02 40.80 1n47 s PHE 89 CO 0.00 0.65 0.47 -0.59 -1.46 0.00 0.00 175.22 174.30 1n47 s PHE 90 N -1.19 -0.34 0.02 10.12 -0.71 -0.02 -0.49 117.98 125.38 1n47 s PHE 90 Ca 0.22 0.24 0.05 0.00 -1.04 0.00 0.00 56.93 56.41 1n47 s PHE 90 Cb -0.12 0.32 -0.03 0.00 -1.21 0.00 0.00 43.02 41.97 1n47 s PHE 90 CO 0.12 -0.67 -0.14 -0.51 -1.34 0.00 0.00 175.22 172.69 1n47 s LEU 91 N -2.30 2.83 0.17 -1.99 1.02 -0.02 -2.04 118.68 116.34 1n47 s LEU 91 Ca -0.02 -0.31 -0.24 0.00 0.02 0.00 0.00 54.13 53.58 1n47 s LEU 91 Cb 0.00 -1.64 0.06 0.00 0.02 0.00 0.00 46.19 44.63 1n47 s LEU 91 CO -0.06 0.27 0.85 0.00 0.02 0.00 0.00 176.35 177.43 1n47 s ALA 92 N -0.94 -1.56 0.40 4.21 0.00 -0.82 -1.80 121.76 121.25 1n47 s ALA 92 Ca 0.15 0.16 -0.27 0.00 0.00 0.00 0.00 51.96 52.01 1n47 s ALA 92 Cb -0.11 0.69 -0.10 0.00 0.00 0.00 0.00 23.12 23.60 1n47 s ALA 92 CO 0.06 -0.97 1.45 -2.30 0.00 0.00 0.00 175.76 174.00 1n47 n PRO 93 N -0.43 2.48 -0.45 0.00 -0.02 -1.26 -0.60 135.00 134.72 1n47 n PRO 93 Ca -0.07 0.87 0.38 0.00 -2.02 0.00 0.00 63.50 62.66 1n47 n PRO 93 Cb 0.61 -2.62 0.68 0.00 -0.02 0.00 0.00 33.50 32.15 1n47 n PRO 93 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1n47 h PRO 94 N 2.70 0.10 -0.16 0.52 0.11 -1.87 0.92 132.00 134.31 1n47 h PRO 94 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1n47 h PRO 94 Cb 1.26 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1n47 h PRO 94 CO 0.63 0.07 0.00 -0.40 -0.21 0.00 0.00 178.00 178.08 1n47 n ASP 95 N -4.44 1.48 -4.60 -2.05 5.75 -1.26 -4.82 116.55 106.60 1n47 n ASP 95 Ca 0.35 -1.69 -0.59 0.00 -0.01 0.00 0.00 54.79 52.85 1n47 n ASP 95 Cb 1.42 -0.10 -0.08 0.00 -1.03 0.00 0.00 41.12 41.34 1n47 n ASP 95 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1n47 n THR 96 N 0.20 0.04 -4.29 2.12 5.66 0.32 -5.00 114.28 113.33 1n47 n THR 96 Ca 0.16 -0.01 -0.26 0.00 -3.05 0.00 0.00 64.05 60.89 1n47 n THR 96 Cb 0.30 -0.50 -0.09 0.00 -1.55 0.00 0.00 70.33 68.49 1n47 n THR 96 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1n47 s GLN 97 N 1.21 2.12 0.41 1.09 -1.52 -1.26 -5.09 119.66 116.62 1n47 s GLN 97 Ca 0.93 -1.30 -0.27 0.00 -1.95 0.00 0.00 55.36 52.78 1n47 s GLN 97 Cb -1.20 -2.16 -0.10 0.00 -0.22 0.00 0.00 33.01 29.33 1n47 s GLN 97 CO 0.60 0.42 1.45 -2.14 -0.25 0.00 0.00 175.29 175.37 1n47 s PRO 98 N -3.00 3.92 0.00 2.91 0.02 -1.26 -4.98 135.00 132.61 1n47 s PRO 98 Ca 0.26 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.76 1n47 s PRO 98 Cb -0.08 -2.82 0.00 0.00 0.02 0.00 0.00 34.50 31.61 1n47 s PRO 98 CO 0.16 -0.65 0.00 1.04 -0.33 0.00 0.00 177.00 177.22 1n47 n GLN 99 N 0.16 0.97 -3.00 5.54 1.13 -1.08 -5.02 117.38 116.08 1n47 n GLN 99 Ca 0.03 0.00 -0.33 0.00 -1.94 0.00 0.00 57.00 54.75 1n47 n GLN 99 Cb 0.41 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.69 1n47 n GLN 99 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1n47 s ALA 100 N -2.71 3.23 0.69 -1.58 0.00 -0.62 -4.73 121.76 116.05 1n47 s ALA 100 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.17 1n47 s ALA 100 Cb 0.00 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.19 1n47 s ALA 100 CO 0.00 0.25 0.00 2.89 0.00 0.00 0.00 175.76 178.90 1n47 n ARG 101 N -0.23 0.75 0.00 0.00 1.85 -1.26 -0.42 116.66 117.36 1n47 n ARG 101 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.89 1n47 n ARG 101 Cb 0.53 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.94 1n47 n ARG 101 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1n47 n GLY 102 N 5.00 2.12 0.28 2.89 0.00 -1.26 -3.21 105.19 111.01 1n47 n GLY 102 Ca 0.00 -0.42 0.19 0.00 0.00 0.00 0.00 46.02 45.78 1n47 n GLY 102 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1n47 h GLY 103 N 0.00 0.00 0.42 -0.02 0.00 -1.90 -1.84 103.07 99.74 1n47 h GLY 103 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1n47 h GLY 103 CO 0.00 0.00 -0.01 0.69 0.00 0.00 0.00 176.54 177.22 1n47 n PHE 104 N -2.95 0.00 -1.33 5.60 3.72 -1.20 -4.93 117.46 116.37 1n47 n PHE 104 Ca -0.01 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.27 1n47 n PHE 104 Cb 0.19 -0.02 -0.05 0.00 -0.94 0.00 0.00 39.48 38.66 1n47 n PHE 104 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1n47 n LEU 105 N -0.54 -0.56 -0.42 4.37 4.77 -0.69 -1.33 117.00 122.59 1n47 n LEU 105 Ca 0.21 0.31 -0.06 0.00 -0.03 0.00 0.00 56.01 56.44 1n47 n LEU 105 Cb 0.22 -2.57 -0.02 0.00 -2.33 0.00 0.00 43.42 38.72 1n47 n LEU 105 CO 0.18 -0.98 -0.05 0.61 -1.33 0.00 0.00 177.39 175.81 1n47 n GLY 106 N 0.11 0.80 0.04 -0.72 0.00 0.44 -4.02 105.19 101.85 1n47 n GLY 106 Ca -0.12 -0.76 -0.04 0.00 0.00 0.00 0.00 46.02 45.09 1n47 n GLY 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n47 n LEU 107 N -0.63 0.47 -4.45 0.99 4.77 -0.44 -2.65 117.00 115.07 1n47 n LEU 107 Ca -0.06 -0.01 -0.22 0.00 -0.03 0.00 0.00 56.01 55.70 1n47 n LEU 107 Cb 0.19 0.10 -0.11 0.00 -2.33 0.00 0.00 43.42 41.28 1n47 n LEU 107 CO 0.08 0.26 -0.29 -0.36 -1.33 0.00 0.00 177.39 175.76 1n47 s PHE 108 N -2.19 1.98 -0.14 -1.77 0.08 -1.22 -4.72 117.98 110.01 1n47 s PHE 108 Ca -0.05 -0.89 0.06 0.00 0.12 0.00 0.00 56.93 56.17 1n47 s PHE 108 Cb 0.02 -1.26 -0.23 0.00 -0.57 0.00 0.00 43.02 40.98 1n47 s PHE 108 CO 0.30 0.09 0.29 0.00 -0.10 0.00 0.00 175.22 175.79 1n47 n ALA 109 N -0.67 1.31 -3.00 5.36 0.00 -1.26 -1.59 120.51 120.66 1n47 n ALA 109 Ca -0.03 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1n47 n ALA 109 Cb 0.66 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.59 1n47 n ALA 109 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1n47 n ASP 110 N -3.14 0.00 -1.28 0.00 5.75 -1.26 -4.78 116.55 111.84 1n47 n ASP 110 Ca -0.30 0.00 0.11 0.00 -0.01 0.00 0.00 54.79 54.59 1n47 n ASP 110 Cb 1.06 0.00 0.30 0.00 -1.03 0.00 0.00 41.12 41.46 1n47 n ASP 110 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1n47 n ARG 111 N 0.00 2.61 -2.93 0.11 1.85 -1.26 -4.72 116.66 112.32 1n47 n ARG 111 Ca 0.00 -2.50 -0.31 0.00 -1.00 0.00 0.00 57.85 54.04 1n47 n ARG 111 Cb 0.00 -1.54 -0.04 0.00 -1.05 0.00 0.00 32.46 29.82 1n47 n ARG 111 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1n47 s ALA 112 N -1.11 3.33 -0.06 2.89 0.00 -1.26 -4.73 121.76 120.83 1n47 s ALA 112 Ca 0.46 -0.10 -0.27 0.00 0.00 0.00 0.00 51.96 52.05 1n47 s ALA 112 Cb 0.24 -2.74 -0.03 0.00 0.00 0.00 0.00 23.12 20.59 1n47 s ALA 112 CO 0.32 0.10 0.88 -1.58 0.00 0.00 0.00 175.76 175.48 1n47 s HIS 113 N -2.25 3.58 -0.17 0.00 2.46 -1.26 -4.68 115.29 112.97 1n47 s HIS 113 Ca 0.53 1.49 -0.04 0.00 0.47 0.00 0.00 55.06 57.50 1n47 s HIS 113 Cb -0.10 -3.02 0.07 0.00 -0.13 0.00 0.00 32.58 29.40 1n47 s HIS 113 CO 0.27 -0.04 0.17 0.34 -2.47 0.00 0.00 174.74 173.00 1n47 s ASP 114 N 0.98 1.58 0.33 9.88 -1.08 -1.07 -5.02 116.67 122.27 1n47 s ASP 114 Ca 0.45 -0.25 0.17 0.00 -0.52 0.00 0.00 52.55 52.41 1n47 s ASP 114 Cb -0.19 0.16 0.95 0.00 -1.46 0.00 0.00 42.92 42.38 1n47 s ASP 114 CO 0.22 -0.32 1.48 0.00 0.52 0.00 0.00 175.17 177.06 1n47 n ALA 115 N 5.31 0.81 1.44 3.66 0.00 -1.26 -1.17 120.51 129.30 1n47 n ALA 115 Ca -0.06 0.16 0.10 0.00 0.00 0.00 0.00 53.44 53.64 1n47 n ALA 115 Cb 0.49 -1.03 0.40 0.00 0.00 0.00 0.00 19.45 19.31 1n47 n ALA 115 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1n47 n SER 116 N -2.17 1.19 0.08 0.00 3.41 -1.26 -3.22 113.62 111.64 1n47 n SER 116 Ca -0.01 -1.65 -0.08 0.00 -0.26 0.00 0.00 58.87 56.86 1n47 n SER 116 Cb 0.19 -0.08 -0.09 0.00 -0.26 0.00 0.00 64.21 63.97 1n47 n SER 116 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1n47 h TYR 117 N 1.55 0.11 -6.72 7.33 0.05 -1.48 -3.47 116.97 114.35 1n47 h TYR 117 Ca 0.00 -0.08 -0.54 0.00 0.05 0.00 0.00 58.73 58.16 1n47 h TYR 117 Cb 0.34 -0.01 -0.10 0.00 1.01 0.00 0.00 36.73 37.98 1n47 h TYR 117 CO 0.08 1.01 -0.93 1.04 -1.05 0.00 0.00 178.16 178.32 1n47 n GLN 118 N -3.45 -2.14 -4.38 4.88 6.02 -1.20 -4.77 117.38 112.35 1n47 n GLN 118 Ca -0.02 0.27 -0.20 0.00 -0.01 0.00 0.00 57.00 57.04 1n47 n GLN 118 Cb 0.91 -4.04 -0.16 0.00 1.02 0.00 0.00 30.24 27.98 1n47 n GLN 118 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1n47 s THR 119 N -4.06 0.77 -0.07 5.09 2.01 -1.26 -4.03 115.64 114.10 1n47 s THR 119 Ca 0.06 -0.35 0.04 0.00 0.31 0.00 0.00 61.69 61.75 1n47 s THR 119 Cb -0.03 -0.70 0.00 0.00 0.01 0.00 0.00 72.50 71.79 1n47 s THR 119 CO 0.93 0.25 -0.18 -0.69 -0.69 0.00 0.00 174.62 174.24 1n47 s VAL 120 N 0.26 1.57 0.02 3.82 1.01 -0.75 -0.72 120.40 125.61 1n47 s VAL 120 Ca -0.04 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 1n47 s VAL 120 Cb -0.09 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 1n47 s VAL 120 CO 0.01 0.45 0.08 0.00 0.00 0.00 0.00 175.10 175.64 1n47 s ALA 121 N 0.28 -0.14 -0.25 5.51 0.00 -0.39 -0.84 121.76 125.92 1n47 s ALA 121 Ca -0.11 -0.37 -0.01 0.00 0.00 0.00 0.00 51.96 51.48 1n47 s ALA 121 Cb -0.15 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.17 1n47 s ALA 121 CO 0.05 -0.23 -0.08 0.08 0.00 0.00 0.00 175.76 175.58 1n47 s VAL 122 N -1.76 2.67 0.04 0.00 1.01 0.36 -0.19 120.40 122.54 1n47 s VAL 122 Ca -0.12 -1.16 0.04 0.00 0.00 0.00 0.00 61.98 60.74 1n47 s VAL 122 Cb -0.06 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1n47 s VAL 122 CO -0.01 0.16 -0.07 -1.83 0.00 0.00 0.00 175.10 173.36 1n47 s GLU 123 N 1.27 2.44 -0.67 2.72 -1.05 0.12 -1.48 118.70 122.07 1n47 s GLU 123 Ca -0.01 -0.81 -0.02 0.00 -0.15 0.00 0.00 54.97 53.98 1n47 s GLU 123 Cb -0.17 -2.45 0.17 0.00 -0.44 0.00 0.00 34.13 31.24 1n47 s GLU 123 CO -0.05 0.57 0.49 -0.06 0.95 0.00 0.00 175.26 177.16 1n47 s PHE 124 N -1.08 3.46 -0.31 4.83 0.40 0.53 -0.74 117.98 125.08 1n47 s PHE 124 Ca 0.19 -2.82 -0.18 0.00 -0.60 0.00 0.00 56.93 53.51 1n47 s PHE 124 Cb -0.11 -3.16 -0.01 0.00 0.51 0.00 0.00 43.02 40.24 1n47 s PHE 124 CO 0.10 -0.80 0.54 0.34 0.70 0.00 0.00 175.22 176.10 1n47 s ASP 125 N 0.39 6.40 0.00 1.36 -1.08 -0.61 -2.15 116.67 120.98 1n47 s ASP 125 Ca 0.19 0.28 0.19 0.00 -0.52 0.00 0.00 52.55 52.69 1n47 s ASP 125 Cb -0.18 -2.29 0.30 0.00 -1.46 0.00 0.00 42.92 39.29 1n47 s ASP 125 CO -0.05 -0.41 1.24 0.35 0.52 0.00 0.00 175.17 176.82 1n47 n THR 126 N 5.32 0.40 -3.75 1.71 -2.24 -0.64 -1.85 114.28 113.24 1n47 n THR 126 Ca -0.04 -0.70 -0.14 0.00 -2.27 0.00 0.00 64.05 60.90 1n47 n THR 126 Cb 0.49 1.04 -0.15 0.00 -2.10 0.00 0.00 70.33 69.61 1n47 n THR 126 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1n47 s TYR 127 N -1.35 -0.11 -0.51 4.78 6.14 -1.24 -4.63 117.35 120.43 1n47 s TYR 127 Ca 0.29 0.38 -0.28 0.00 0.64 0.00 0.00 57.07 58.11 1n47 s TYR 127 Cb 0.18 -0.14 0.03 0.00 0.42 0.00 0.00 41.96 42.45 1n47 s TYR 127 CO 0.25 -0.15 1.11 -1.12 0.64 0.00 0.00 175.55 176.28 1n47 s SER 128 N 1.21 6.55 0.58 4.32 0.01 -1.26 -5.01 113.70 120.10 1n47 s SER 128 Ca -0.08 0.27 -0.01 0.00 1.31 0.00 0.00 55.95 57.43 1n47 s SER 128 Cb -0.12 -2.53 0.03 0.00 0.21 0.00 0.00 66.02 63.62 1n47 s SER 128 CO -0.05 -1.28 0.84 0.20 0.41 0.00 0.00 173.24 173.35 1n47 s ASN 129 N 2.59 5.24 0.56 2.44 -0.87 -1.26 -4.93 114.94 118.70 1n47 s ASN 129 Ca 0.44 0.20 0.29 0.00 -1.57 0.00 0.00 52.86 52.22 1n47 s ASN 129 Cb -0.08 -1.07 1.47 0.00 -0.02 0.00 0.00 41.25 41.55 1n47 s ASN 129 CO 0.29 -1.21 1.92 0.00 -2.57 0.00 0.00 177.10 175.53 1n47 h ALA 130 N -0.09 2.46 -0.45 0.60 0.00 -1.98 0.13 119.26 119.94 1n47 h ALA 130 Ca -0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1n47 h ALA 130 Cb 1.29 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1n47 h ALA 130 CO 0.56 -0.82 0.00 -2.67 0.00 0.00 0.00 179.25 176.31 1n47 n TRP 131 N -4.04 1.33 -4.43 0.00 2.14 -1.26 -4.91 117.44 106.27 1n47 n TRP 131 Ca 0.12 -0.49 -0.26 0.00 2.07 0.00 0.00 57.50 58.94 1n47 n TRP 131 Cb 0.75 -0.31 -0.11 0.00 -0.81 0.00 0.00 31.31 30.83 1n47 n TRP 131 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1n47 s ASP 132 N -0.67 3.60 0.84 -0.67 -0.00 0.03 -4.74 116.67 115.06 1n47 s ASP 132 Ca 0.39 -0.90 -0.11 0.00 -0.00 0.00 0.00 52.55 51.93 1n47 s ASP 132 Cb 0.28 -0.33 0.10 0.00 -0.00 0.00 0.00 42.92 42.97 1n47 s ASP 132 CO 0.15 0.08 1.15 -2.84 -0.00 0.00 0.00 175.17 173.71 1n47 s PRO 133 N -3.04 1.57 0.00 8.23 0.02 -1.26 -4.76 135.00 135.76 1n47 s PRO 133 Ca 0.25 1.50 0.00 0.00 0.02 0.00 0.00 61.00 62.77 1n47 s PRO 133 Cb -0.07 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.66 1n47 s PRO 133 CO 0.13 -2.21 0.49 0.09 -0.33 0.00 0.00 177.00 175.16 1n47 n ASN 134 N -3.72 0.10 -3.97 2.53 5.03 -1.26 -4.75 115.26 109.22 1n47 n ASN 134 Ca 0.11 -1.08 -0.12 0.00 0.87 0.00 0.00 54.58 54.37 1n47 n ASN 134 Cb 0.52 -0.05 -0.13 0.00 -1.02 0.00 0.00 39.78 39.10 1n47 n ASN 134 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 1n47 s TYR 135 N -1.81 0.33 0.16 3.10 -0.85 -1.26 -4.94 117.35 112.08 1n47 s TYR 135 Ca 0.00 -0.30 -0.24 0.00 -0.52 0.00 0.00 57.07 56.01 1n47 s TYR 135 Cb 0.00 -0.21 -0.14 0.00 0.38 0.00 0.00 41.96 41.98 1n47 s TYR 135 CO 0.00 -0.08 0.45 2.41 -1.52 0.00 0.00 175.55 176.81 1n47 n THR 136 N 2.20 1.58 -3.44 -3.49 -1.04 -1.26 -4.89 114.28 103.94 1n47 n THR 136 Ca -0.19 -0.40 -0.13 0.00 -2.04 0.00 0.00 64.05 61.30 1n47 n THR 136 Cb 0.57 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.05 1n47 n THR 136 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 1n47 s HIS 137 N -0.79 -0.56 -0.04 -1.42 -0.00 -0.77 -2.70 115.29 109.01 1n47 s HIS 137 Ca 0.54 0.46 -0.10 0.00 -0.00 0.00 0.00 55.06 55.95 1n47 s HIS 137 Cb -0.78 0.54 -0.05 0.00 -0.00 0.00 0.00 32.58 32.28 1n47 s HIS 137 CO 0.46 -0.81 0.29 0.42 -0.00 0.00 0.00 174.74 175.10 1n47 s ILE 138 N -3.33 5.25 0.03 -5.38 1.01 -0.53 -1.57 121.20 116.68 1n47 s ILE 138 Ca -0.01 0.49 -0.06 0.00 0.00 0.00 0.00 60.65 61.08 1n47 s ILE 138 Cb -0.01 -3.57 -0.01 0.00 0.01 0.00 0.00 42.46 38.89 1n47 s ILE 138 CO -0.09 0.56 0.10 -0.83 0.00 0.00 0.00 174.94 174.68 1n47 s GLY 139 N -1.17 0.14 -0.36 6.18 0.00 0.08 -2.19 107.32 110.00 1n47 s GLY 139 Ca 0.21 -0.42 -0.06 0.00 0.00 0.00 0.00 44.72 44.45 1n47 s GLY 139 CO 0.10 -0.55 0.15 -0.42 0.00 0.00 0.00 173.10 172.38 1n47 s ILE 140 N -2.14 3.78 -0.36 0.90 1.01 -0.39 0.14 121.20 124.15 1n47 s ILE 140 Ca -0.09 -1.31 -0.16 0.00 0.00 0.00 0.00 60.65 59.09 1n47 s ILE 140 Cb -0.04 -3.23 -0.01 0.00 0.01 0.00 0.00 42.46 39.19 1n47 s ILE 140 CO -0.02 -0.31 0.39 -1.81 0.00 0.00 0.00 174.94 173.19 1n47 s ASP 141 N 1.61 6.20 -0.43 3.58 -0.00 0.73 -0.83 116.67 127.53 1n47 s ASP 141 Ca 0.00 -0.28 -0.07 0.00 -0.00 0.00 0.00 52.55 52.20 1n47 s ASP 141 Cb -0.21 -2.21 0.10 0.00 -0.00 0.00 0.00 42.92 40.61 1n47 s ASP 141 CO 0.02 -0.40 0.27 -0.89 -0.00 0.00 0.00 175.17 174.17 1n47 s THR 142 N 2.08 3.90 -1.72 -1.27 2.01 -1.26 -1.27 115.64 118.12 1n47 s THR 142 Ca 0.13 -1.75 -0.01 0.00 0.31 0.00 0.00 61.69 60.37 1n47 s THR 142 Cb -0.16 -3.54 0.00 0.00 0.01 0.00 0.00 72.50 68.81 1n47 s THR 142 CO 0.12 -0.66 0.15 0.59 -0.69 0.00 0.00 174.62 174.14 1n47 n ASN 143 N 4.81 -5.92 0.00 3.53 3.02 0.10 -4.92 115.26 115.88 1n47 n ASN 143 Ca -0.07 -0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 1n47 n ASN 143 Cb 0.42 -4.90 0.00 0.00 -0.61 0.00 0.00 39.78 34.69 1n47 n ASN 143 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n47 n GLY 144 N -1.14 0.93 0.18 7.41 0.00 -1.26 -2.61 105.19 108.70 1n47 n GLY 144 Ca -0.21 -0.51 0.05 0.00 0.00 0.00 0.00 46.02 45.34 1n47 n GLY 144 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1n47 h ILE 145 N 0.18 0.90 -2.00 -0.61 6.09 -1.84 -3.41 117.51 116.82 1n47 h ILE 145 Ca 0.00 -1.66 -0.61 0.00 -1.37 0.00 0.00 64.86 61.21 1n47 h ILE 145 Cb 0.00 2.02 -0.12 0.00 0.47 0.00 0.00 36.82 39.19 1n47 h ILE 145 CO 0.00 0.40 1.06 -0.70 -3.07 0.00 0.00 178.15 175.83 1n47 s GLU 146 N -3.50 3.41 0.26 2.19 2.12 -1.26 -4.95 118.70 116.97 1n47 s GLU 146 Ca 0.01 -1.03 -0.26 0.00 0.36 0.00 0.00 54.97 54.05 1n47 s GLU 146 Cb 0.10 -4.77 -0.16 0.00 0.26 0.00 0.00 34.13 29.56 1n47 s GLU 146 CO 0.70 -2.02 0.45 0.43 -0.54 0.00 0.00 175.26 174.28 1n47 n SER 147 N 8.20 -1.48 0.21 -1.70 7.64 -1.26 -4.86 113.62 120.36 1n47 n SER 147 Ca 0.17 1.05 0.10 0.00 1.01 0.00 0.00 58.87 61.20 1n47 n SER 147 Cb 0.49 -0.96 0.14 0.00 -1.01 0.00 0.00 64.21 62.87 1n47 n SER 147 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1n47 h LYS 148 N 0.88 0.00 -1.90 1.43 1.63 -1.34 -3.46 116.57 113.82 1n47 h LYS 148 Ca -0.31 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.47 1n47 h LYS 148 Cb 1.43 0.00 -0.22 0.00 -0.60 0.00 0.00 32.23 32.84 1n47 h LYS 148 CO 0.55 0.09 0.22 0.21 -3.45 0.00 0.00 179.45 177.06 1n47 s LYS 149 N -3.17 0.78 0.06 1.90 2.20 -1.25 -5.02 119.74 115.24 1n47 s LYS 149 Ca 0.06 0.81 -0.04 0.00 -0.36 0.00 0.00 55.97 56.44 1n47 s LYS 149 Cb 0.05 0.38 -0.02 0.00 -1.51 0.00 0.00 37.83 36.73 1n47 s LYS 149 CO 0.68 -0.12 0.07 0.95 -0.36 0.00 0.00 175.35 176.57 1n47 s THR 150 N 0.15 0.17 0.03 3.43 -4.23 -1.26 -1.26 115.64 112.67 1n47 s THR 150 Ca -0.00 -1.40 0.01 0.00 -1.18 0.00 0.00 61.69 59.12 1n47 s THR 150 Cb -0.04 -1.25 -0.02 0.00 1.34 0.00 0.00 72.50 72.53 1n47 s THR 150 CO 0.00 -0.77 -0.06 0.42 -0.54 0.00 0.00 174.62 173.67 1n47 s THR 151 N -3.45 0.38 0.59 3.99 -4.23 -0.93 -5.00 115.64 107.00 1n47 s THR 151 Ca 0.02 -0.97 -0.15 0.00 -1.18 0.00 0.00 61.69 59.41 1n47 s THR 151 Cb 0.04 -0.47 -0.04 0.00 1.34 0.00 0.00 72.50 73.37 1n47 s THR 151 CO -0.08 -0.40 1.05 -2.16 -0.54 0.00 0.00 174.62 172.49 1n47 s PRO 152 N -1.46 3.38 0.17 3.99 0.04 -1.26 -1.46 135.00 138.40 1n47 s PRO 152 Ca -0.11 1.14 -0.20 0.00 0.04 0.00 0.00 61.00 61.87 1n47 s PRO 152 Cb -0.10 -2.04 0.05 0.00 0.04 0.00 0.00 34.50 32.45 1n47 s PRO 152 CO -0.00 -0.76 0.55 -0.59 0.04 0.00 0.00 177.00 176.24 1n47 s PHE 153 N -2.54 -0.34 -0.14 0.56 -0.71 -1.10 -4.79 117.98 108.94 1n47 s PHE 153 Ca 0.62 0.05 -0.01 0.00 -1.04 0.00 0.00 56.93 56.55 1n47 s PHE 153 Cb -0.15 0.46 -0.02 0.00 -1.21 0.00 0.00 43.02 42.11 1n47 s PHE 153 CO 0.38 -0.86 -0.11 -0.51 -1.34 0.00 0.00 175.22 172.77 1n47 s ASP 154 N -2.80 4.16 0.26 1.98 1.01 -1.26 -4.41 116.67 115.60 1n47 s ASP 154 Ca 0.04 -0.30 -0.30 0.00 0.71 0.00 0.00 52.55 52.71 1n47 s ASP 154 Cb -0.01 -1.65 -0.09 0.00 1.01 0.00 0.00 42.92 42.18 1n47 s ASP 154 CO -0.09 0.16 1.00 -0.04 0.21 0.00 0.00 175.17 176.41 1n47 s MET 155 N 0.41 4.75 -0.29 8.23 -1.94 -1.26 -5.03 119.30 124.18 1n47 s MET 155 Ca -0.09 1.61 -0.05 0.00 -1.71 0.00 0.00 55.69 55.45 1n47 s MET 155 Cb -0.16 -3.22 0.02 0.00 2.01 0.00 0.00 34.83 33.49 1n47 s MET 155 CO 0.05 0.38 0.04 0.08 -0.01 0.00 0.00 175.02 175.56 1n47 s VAL 156 N -1.20 3.62 0.38 -6.03 1.01 -1.26 -5.09 120.40 111.83 1n47 s VAL 156 Ca 0.43 -0.85 -0.21 0.00 0.00 0.00 0.00 61.98 61.35 1n47 s VAL 156 Cb -0.28 -2.89 -0.10 0.00 0.00 0.00 0.00 36.38 33.11 1n47 s VAL 156 CO 0.35 0.08 0.91 -0.31 0.00 0.00 0.00 175.10 176.13 1n47 s TYR 157 N 1.43 3.41 0.00 5.22 1.51 -1.26 -3.66 117.35 124.01 1n47 s TYR 157 Ca 0.01 1.58 0.00 0.00 -1.01 0.00 0.00 57.07 57.65 1n47 s TYR 157 Cb -0.17 -2.81 0.00 0.00 -0.11 0.00 0.00 41.96 38.87 1n47 s TYR 157 CO 0.01 0.00 0.00 0.41 -1.11 0.00 0.00 175.55 174.86 1n47 n GLY 158 N -0.30 1.88 3.61 0.71 0.00 -0.48 -5.02 105.19 105.59 1n47 n GLY 158 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1n47 n GLY 158 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1n47 s GLU 159 N -0.22 3.57 0.01 1.61 2.12 -1.24 -5.01 118.70 119.54 1n47 s GLU 159 Ca 0.00 -0.42 -0.30 0.00 0.36 0.00 0.00 54.97 54.61 1n47 s GLU 159 Cb 0.00 -2.98 -0.07 0.00 0.26 0.00 0.00 34.13 31.34 1n47 s GLU 159 CO 0.00 0.40 1.63 0.21 -0.54 0.00 0.00 175.26 176.96 1n47 s LYS 160 N -0.04 4.20 0.10 4.30 2.20 -1.26 -4.67 119.74 124.57 1n47 s LYS 160 Ca 0.04 2.24 0.02 0.00 -0.36 0.00 0.00 55.97 57.90 1n47 s LYS 160 Cb -0.13 -3.77 -0.04 0.00 -1.51 0.00 0.00 37.83 32.39 1n47 s LYS 160 CO 0.02 -0.76 0.19 0.00 -0.36 0.00 0.00 175.35 174.43 1n47 s ALA 161 N 3.22 3.84 -0.17 3.13 0.00 -0.47 -4.41 121.76 126.89 1n47 s ALA 161 Ca 0.73 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 51.71 1n47 s ALA 161 Cb -0.36 -1.67 -0.00 0.00 0.00 0.00 0.00 23.12 21.09 1n47 s ALA 161 CO 0.31 0.71 -0.12 -0.80 0.00 0.00 0.00 175.76 175.86 1n47 s ASN 162 N -2.71 3.90 -0.02 0.00 0.01 -0.36 -2.49 114.94 113.27 1n47 s ASN 162 Ca 0.33 -0.43 0.06 0.00 -0.71 0.00 0.00 52.86 52.12 1n47 s ASN 162 Cb -0.12 -1.62 -0.02 0.00 0.41 0.00 0.00 41.25 39.89 1n47 s ASN 162 CO 0.26 0.06 -0.21 -0.63 -1.51 0.00 0.00 177.10 175.07 1n47 s ILE 163 N 0.98 2.47 -0.04 0.60 1.01 0.11 -1.46 121.20 124.86 1n47 s ILE 163 Ca -0.02 -1.00 -0.00 0.00 0.00 0.00 0.00 60.65 59.63 1n47 s ILE 163 Cb -0.15 -1.92 0.03 0.00 0.01 0.00 0.00 42.46 40.43 1n47 s ILE 163 CO -0.01 0.55 0.01 -0.69 0.00 0.00 0.00 174.94 174.80 1n47 s VAL 164 N -0.69 0.20 -0.14 2.92 1.01 -0.75 -2.17 120.40 120.78 1n47 s VAL 164 Ca 0.11 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.24 1n47 s VAL 164 Cb -0.10 -0.34 0.02 0.00 0.00 0.00 0.00 36.38 35.96 1n47 s VAL 164 CO 0.00 0.19 -0.13 -0.63 0.00 0.00 0.00 175.10 174.53 1n47 s ILE 165 N 1.47 1.47 -0.02 2.22 1.01 -0.65 -1.49 121.20 125.21 1n47 s ILE 165 Ca -0.03 -0.57 0.07 0.00 0.00 0.00 0.00 60.65 60.11 1n47 s ILE 165 Cb -0.13 -1.40 -0.02 0.00 0.01 0.00 0.00 42.46 40.93 1n47 s ILE 165 CO -0.03 0.44 -0.22 0.28 0.00 0.00 0.00 174.94 175.42 1n47 s THR 166 N 1.52 1.71 -0.20 2.92 -1.32 -0.32 -1.90 115.64 118.04 1n47 s THR 166 Ca 0.05 -0.93 -0.02 0.00 -1.21 0.00 0.00 61.69 59.58 1n47 s THR 166 Cb -0.13 -1.42 0.00 0.00 -1.51 0.00 0.00 72.50 69.45 1n47 s THR 166 CO -0.10 0.48 -0.10 -0.47 -2.21 0.00 0.00 174.62 172.21 1n47 s TYR 167 N -0.51 2.89 -0.29 9.09 6.14 -0.58 -1.00 117.35 133.08 1n47 s TYR 167 Ca 0.08 -1.19 -0.13 0.00 0.64 0.00 0.00 57.07 56.48 1n47 s TYR 167 Cb -0.08 -2.03 -0.04 0.00 0.42 0.00 0.00 41.96 40.22 1n47 s TYR 167 CO -0.01 -0.64 0.26 -1.14 0.64 0.00 0.00 175.55 174.66 1n47 s GLN 168 N 1.39 3.89 0.23 4.97 0.74 -0.62 -2.41 119.66 127.86 1n47 s GLN 168 Ca 0.05 -0.26 -0.06 0.00 0.05 0.00 0.00 55.36 55.13 1n47 s GLN 168 Cb -0.14 -3.69 0.22 0.00 1.10 0.00 0.00 33.01 30.50 1n47 s GLN 168 CO -0.07 -0.26 1.83 0.00 -0.55 0.00 0.00 175.29 176.25 1n47 h ALA 169 N 8.34 1.14 0.00 1.58 0.00 -1.89 -0.36 119.26 128.07 1n47 h ALA 169 Ca -0.33 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.30 1n47 h ALA 169 Cb 1.18 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1n47 h ALA 169 CO 0.59 0.66 -0.59 0.66 0.00 0.00 0.00 179.25 180.57 1n47 h SER 170 N 1.20 0.00 -0.02 0.00 4.64 -1.94 -3.00 113.55 114.43 1n47 h SER 170 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1n47 h SER 170 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1n47 h SER 170 CO -0.04 0.59 -0.08 0.35 -0.87 0.00 0.00 176.83 176.78 1n47 n THR 171 N -3.82 0.00 -3.99 2.95 -2.24 -1.21 -4.99 114.28 100.98 1n47 n THR 171 Ca -0.01 -0.46 -0.31 0.00 -2.27 0.00 0.00 64.05 60.99 1n47 n THR 171 Cb 0.59 1.30 0.01 0.00 -2.10 0.00 0.00 70.33 70.14 1n47 n THR 171 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1n47 n LYS 172 N 0.67 -4.79 -4.01 -0.78 5.02 -0.16 -4.89 118.16 109.22 1n47 n LYS 172 Ca 0.09 0.53 -0.35 0.00 -2.02 0.00 0.00 58.31 56.56 1n47 n LYS 172 Cb 0.39 -5.34 -0.09 0.00 -0.02 0.00 0.00 35.03 29.98 1n47 n LYS 172 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n47 s ALA 173 N -3.34 3.53 -0.17 7.82 0.00 -1.12 -1.51 121.76 126.97 1n47 s ALA 173 Ca 0.63 -0.72 -0.03 0.00 0.00 0.00 0.00 51.96 51.84 1n47 s ALA 173 Cb -0.33 -1.88 -0.02 0.00 0.00 0.00 0.00 23.12 20.90 1n47 s ALA 173 CO 0.86 0.37 -0.05 -1.17 0.00 0.00 0.00 175.76 175.76 1n47 s LEU 174 N -0.22 3.06 0.01 0.00 0.20 -0.17 -1.59 118.68 119.97 1n47 s LEU 174 Ca 0.08 -0.24 0.04 0.00 0.69 0.00 0.00 54.13 54.70 1n47 s LEU 174 Cb -0.12 -1.75 -0.01 0.00 -0.43 0.00 0.00 46.19 43.88 1n47 s LEU 174 CO 0.01 0.11 -0.11 0.00 -0.29 0.00 0.00 176.35 176.07 1n47 s ALA 175 N 0.73 0.93 0.00 5.97 0.00 -0.17 -1.69 121.76 127.52 1n47 s ALA 175 Ca -0.02 -0.56 0.04 0.00 0.00 0.00 0.00 51.96 51.42 1n47 s ALA 175 Cb -0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 1n47 s ALA 175 CO 0.02 0.21 -0.12 0.00 0.00 0.00 0.00 175.76 175.87 1n47 s ALA 176 N -0.44 0.99 0.04 0.00 0.00 0.59 -1.17 121.76 121.76 1n47 s ALA 176 Ca 0.03 -0.56 0.02 0.00 0.00 0.00 0.00 51.96 51.45 1n47 s ALA 176 Cb -0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 1n47 s ALA 176 CO 0.00 0.23 -0.08 -1.54 0.00 0.00 0.00 175.76 174.37 1n47 s SER 177 N -0.46 0.86 -0.03 0.00 1.04 -0.56 -0.67 113.70 113.88 1n47 s SER 177 Ca 0.04 -0.51 0.03 0.00 0.48 0.00 0.00 55.95 55.99 1n47 s SER 177 Cb -0.05 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.09 1n47 s SER 177 CO -0.00 -0.17 -0.10 -0.22 0.98 0.00 0.00 173.24 173.73 1n47 s LEU 178 N -1.44 1.78 -0.02 2.42 2.96 0.28 -1.81 118.68 122.86 1n47 s LEU 178 Ca -0.08 -0.21 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 1n47 s LEU 178 Cb -0.09 -0.61 0.02 0.00 0.50 0.00 0.00 46.19 46.01 1n47 s LEU 178 CO 0.00 0.07 -0.02 0.54 -1.32 0.00 0.00 176.35 175.63 1n47 s VAL 179 N 0.21 0.26 -0.56 1.68 0.11 -0.54 -0.04 120.40 121.53 1n47 s VAL 179 Ca -0.04 -0.02 -0.16 0.00 -2.93 0.00 0.00 61.98 58.82 1n47 s VAL 179 Cb -0.09 -0.30 0.13 0.00 -1.53 0.00 0.00 36.38 34.59 1n47 s VAL 179 CO 0.01 0.13 0.53 -0.36 -3.33 0.00 0.00 175.10 172.08 1n47 s PHE 180 N 0.63 3.23 0.38 1.54 0.08 -0.63 -1.22 117.98 122.00 1n47 s PHE 180 Ca -0.07 -1.27 0.20 0.00 0.12 0.00 0.00 56.93 55.92 1n47 s PHE 180 Cb -0.10 -3.83 1.11 0.00 -0.57 0.00 0.00 43.02 39.64 1n47 s PHE 180 CO -0.01 -1.05 1.96 -1.00 -0.10 0.00 0.00 175.22 175.02 1n47 h PRO 181 N 8.90 0.00 0.15 0.24 0.13 -1.84 0.26 132.00 139.84 1n47 h PRO 181 Ca -0.29 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.48 1n47 h PRO 181 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1n47 h PRO 181 CO 1.04 0.21 -1.88 0.28 -0.23 0.00 0.00 178.00 177.43 1n47 h VAL 182 N 0.00 0.78 0.00 1.56 2.07 -1.93 -3.28 116.25 115.45 1n47 h VAL 182 Ca -0.00 -2.43 0.00 0.00 0.82 0.00 0.00 66.70 65.08 1n47 h VAL 182 Cb 0.46 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1n47 h VAL 182 CO 0.03 0.88 0.00 -1.20 0.02 0.00 0.00 177.57 177.30 1n47 n SER 183 N -3.53 0.68 -2.46 0.57 7.64 -1.15 -4.93 113.62 110.44 1n47 n SER 183 Ca -0.28 0.59 -0.18 0.00 1.01 0.00 0.00 58.87 60.02 1n47 n SER 183 Cb 1.06 -0.76 0.03 0.00 -1.01 0.00 0.00 64.21 63.53 1n47 n SER 183 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n47 n GLN 184 N -2.17 -4.14 -4.35 1.43 6.02 0.91 -5.03 117.38 110.04 1n47 n GLN 184 Ca 0.05 0.71 -0.28 0.00 -0.01 0.00 0.00 57.00 57.46 1n47 n GLN 184 Cb 0.36 -5.16 -0.11 0.00 1.02 0.00 0.00 30.24 26.34 1n47 n GLN 184 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1n47 s THR 185 N -3.07 2.66 -0.02 5.09 -4.23 -1.11 -4.99 115.64 109.98 1n47 s THR 185 Ca 0.26 -1.76 -0.13 0.00 -1.18 0.00 0.00 61.69 58.89 1n47 s THR 185 Cb -0.12 -2.26 0.02 0.00 1.34 0.00 0.00 72.50 71.48 1n47 s THR 185 CO 0.33 -0.02 0.27 -0.94 -0.54 0.00 0.00 174.62 173.71 1n47 s SER 186 N -2.47 -0.15 0.16 3.99 1.04 -1.26 -1.60 113.70 113.41 1n47 s SER 186 Ca 0.20 0.05 0.05 0.00 0.48 0.00 0.00 55.95 56.73 1n47 s SER 186 Cb -0.09 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.29 1n47 s SER 186 CO 0.11 -0.40 -0.11 -0.31 0.98 0.00 0.00 173.24 173.51 1n47 s TYR 187 N -1.22 1.34 -0.27 5.02 1.51 0.94 -4.99 117.35 119.69 1n47 s TYR 187 Ca -0.13 -0.73 -0.22 0.00 -1.01 0.00 0.00 57.07 54.98 1n47 s TYR 187 Cb -0.06 -0.67 0.07 0.00 -0.11 0.00 0.00 41.96 41.20 1n47 s TYR 187 CO 0.03 0.12 0.72 0.00 -1.11 0.00 0.00 175.55 175.31 1n47 s ALA 188 N -3.27 -1.82 0.05 3.71 0.00 -1.26 -0.55 121.76 118.61 1n47 s ALA 188 Ca 0.18 2.16 0.01 0.00 0.00 0.00 0.00 51.96 54.31 1n47 s ALA 188 Cb 0.02 -1.27 -0.03 0.00 0.00 0.00 0.00 23.12 21.84 1n47 s ALA 188 CO 0.02 -0.35 -0.06 0.08 0.00 0.00 0.00 175.76 175.45 1n47 s VAL 189 N 0.80 0.41 0.03 0.00 1.01 0.15 -5.00 120.40 117.80 1n47 s VAL 189 Ca -0.03 -1.34 -0.09 0.00 0.00 0.00 0.00 61.98 60.51 1n47 s VAL 189 Cb -0.05 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.43 1n47 s VAL 189 CO -0.06 -0.62 0.19 -0.55 0.00 0.00 0.00 175.10 174.06 1n47 s SER 190 N -2.08 0.01 0.15 3.32 0.15 -1.26 -0.30 113.70 113.68 1n47 s SER 190 Ca -0.04 -0.29 -0.24 0.00 0.70 0.00 0.00 55.95 56.08 1n47 s SER 190 Cb -0.04 0.27 0.07 0.00 -1.71 0.00 0.00 66.02 64.61 1n47 s SER 190 CO -0.03 -0.50 0.68 0.00 1.20 0.00 0.00 173.24 174.59 1n47 s ALA 191 N -2.17 -1.59 -0.25 5.45 0.00 -0.68 -5.00 121.76 117.52 1n47 s ALA 191 Ca -0.08 0.46 -0.07 0.00 0.00 0.00 0.00 51.96 52.27 1n47 s ALA 191 Cb -0.03 0.79 -0.02 0.00 0.00 0.00 0.00 23.12 23.86 1n47 s ALA 191 CO -0.02 -0.80 0.05 0.50 0.00 0.00 0.00 175.76 175.49 1n47 s ARG 192 N -3.64 3.48 -0.13 0.00 3.52 -1.26 -1.00 118.95 119.91 1n47 s ARG 192 Ca 0.04 -0.59 -0.06 0.00 -0.13 0.00 0.00 55.73 54.99 1n47 s ARG 192 Cb -0.02 -3.27 0.06 0.00 -1.56 0.00 0.00 34.95 30.16 1n47 s ARG 192 CO -0.09 -0.25 0.28 0.54 -0.81 0.00 0.00 175.30 174.98 1n47 s VAL 193 N 1.56 -0.26 -0.47 7.11 0.11 -0.57 -5.01 120.40 122.88 1n47 s VAL 193 Ca 0.05 0.21 -0.25 0.00 -2.93 0.00 0.00 61.98 59.06 1n47 s VAL 193 Cb -0.15 -0.46 0.03 0.00 -1.53 0.00 0.00 36.38 34.27 1n47 s VAL 193 CO 0.02 0.09 0.91 -0.62 -3.33 0.00 0.00 175.10 172.16 1n47 s ASP 194 N 1.93 6.47 0.55 3.54 -1.08 -1.26 -4.76 116.67 122.06 1n47 s ASP 194 Ca -0.04 0.04 0.35 0.00 -0.52 0.00 0.00 52.55 52.38 1n47 s ASP 194 Cb -0.11 -2.44 1.53 0.00 -1.46 0.00 0.00 42.92 40.44 1n47 s ASP 194 CO -0.09 -1.05 2.03 -0.07 0.52 0.00 0.00 175.17 176.51 1n47 h LEU 195 N 10.55 0.00 -1.88 -1.34 3.38 -1.97 -2.65 115.31 121.40 1n47 h LEU 195 Ca -0.24 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 1n47 h LEU 195 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 1n47 h LEU 195 CO 1.02 0.00 -0.07 0.03 0.09 0.00 0.00 178.44 179.51 1n47 h ARG 196 N 0.00 0.00 0.00 1.13 3.08 -1.91 -0.25 114.38 116.43 1n47 h ARG 196 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1n47 h ARG 196 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1n47 h ARG 196 CO 0.00 0.07 -0.54 -0.44 -1.07 0.00 0.00 179.97 177.99 1n47 h ASP 197 N 0.00 0.00 0.00 7.04 3.32 -1.89 -3.42 116.42 121.46 1n47 h ASP 197 Ca -0.00 -0.15 -0.11 0.00 0.02 0.00 0.00 57.03 56.79 1n47 h ASP 197 Cb 0.38 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 1n47 h ASP 197 CO 0.01 0.07 -1.23 -0.38 -1.72 0.00 0.00 179.24 175.99 1n47 n ILE 198 N -2.26 0.65 -3.81 0.35 2.08 -0.64 -5.08 119.36 110.65 1n47 n ILE 198 Ca 0.03 -0.03 -0.24 0.00 0.56 0.00 0.00 62.75 63.07 1n47 n ILE 198 Cb 0.46 -1.66 -0.02 0.00 -0.75 0.00 0.00 39.64 37.66 1n47 n ILE 198 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1n47 s LEU 199 N -6.63 4.26 0.83 1.39 1.43 -0.20 -4.55 118.68 115.20 1n47 s LEU 199 Ca -0.11 0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 53.10 1n47 s LEU 199 Cb 0.04 -3.01 0.09 0.00 0.03 0.00 0.00 46.19 43.34 1n47 s LEU 199 CO 0.15 -0.06 1.11 -2.16 0.23 0.00 0.00 176.35 175.62 1n47 s PRO 200 N -3.67 1.82 0.35 1.29 0.05 -1.26 -4.72 135.00 128.85 1n47 s PRO 200 Ca 0.36 0.49 0.11 0.00 0.05 0.00 0.00 61.00 62.02 1n47 s PRO 200 Cb -0.10 -1.90 0.91 0.00 0.05 0.00 0.00 34.50 33.46 1n47 s PRO 200 CO 0.30 -1.77 1.77 0.93 0.05 0.00 0.00 177.00 178.28 1n47 h GLU 201 N -1.19 0.57 -6.07 4.56 5.08 -1.96 -3.42 114.58 112.14 1n47 h GLU 201 Ca -0.48 -0.03 -0.67 0.00 -1.00 0.00 0.00 59.36 57.17 1n47 h GLU 201 Cb 1.29 -0.13 -0.31 0.00 0.50 0.00 0.00 28.75 30.10 1n47 h GLU 201 CO 0.61 0.38 -0.88 0.71 -1.00 0.00 0.00 179.01 178.82 1n47 s TYR 202 N -5.69 2.29 0.11 4.33 1.51 -1.26 -1.74 117.35 116.90 1n47 s TYR 202 Ca -0.10 -0.61 -0.03 0.00 -1.01 0.00 0.00 57.07 55.32 1n47 s TYR 202 Cb 0.25 -1.50 -0.03 0.00 -0.11 0.00 0.00 41.96 40.58 1n47 s TYR 202 CO 0.80 -0.16 0.09 0.14 -1.11 0.00 0.00 175.55 175.31 1n47 s VAL 203 N -0.27 0.13 0.15 0.71 -7.23 -0.86 -4.10 120.40 108.93 1n47 s VAL 203 Ca 0.00 -1.73 0.05 0.00 -1.81 0.00 0.00 61.98 58.50 1n47 s VAL 203 Cb -0.12 -1.82 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 1n47 s VAL 203 CO 0.02 -0.58 0.11 -0.13 -0.31 0.00 0.00 175.10 174.22 1n47 s ARG 204 N -3.99 2.84 0.17 4.82 0.52 0.23 -0.04 118.95 123.51 1n47 s ARG 204 Ca 0.17 -0.87 0.08 0.00 -0.52 0.00 0.00 55.73 54.59 1n47 s ARG 204 Cb 0.07 -2.62 -0.04 0.00 0.52 0.00 0.00 34.95 32.87 1n47 s ARG 204 CO -0.02 0.49 -0.16 0.14 0.02 0.00 0.00 175.30 175.76 1n47 s VAL 205 N -1.70 1.72 -3.03 3.52 -7.23 -1.26 -1.94 120.40 110.47 1n47 s VAL 205 Ca 0.30 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 1n47 s VAL 205 Cb -0.10 -1.86 0.00 0.00 0.56 0.00 0.00 36.38 34.98 1n47 s VAL 205 CO 0.23 -0.42 0.00 0.61 -0.31 0.00 0.00 175.10 175.20 1n47 n GLY 206 N 0.11 -1.11 3.58 2.32 0.00 -0.87 -2.56 105.19 106.66 1n47 n GLY 206 Ca -0.12 -1.02 -0.24 0.00 0.00 0.00 0.00 46.02 44.64 1n47 n GLY 206 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n47 s PHE 207 N -3.00 2.56 0.01 1.61 0.40 -0.58 -0.84 117.98 118.14 1n47 s PHE 207 Ca 0.00 -0.26 -0.10 0.00 -0.60 0.00 0.00 56.93 55.97 1n47 s PHE 207 Cb 0.00 -1.14 0.01 0.00 0.51 0.00 0.00 43.02 42.40 1n47 s PHE 207 CO 0.00 0.64 0.20 0.45 0.70 0.00 0.00 175.22 177.20 1n47 s SER 208 N -3.51 -0.03 0.08 1.36 0.15 -0.15 -1.46 113.70 110.14 1n47 s SER 208 Ca 0.30 -0.17 -0.26 0.00 0.70 0.00 0.00 55.95 56.52 1n47 s SER 208 Cb -0.06 0.25 0.09 0.00 -1.71 0.00 0.00 66.02 64.59 1n47 s SER 208 CO 0.18 -0.44 0.75 0.00 1.20 0.00 0.00 173.24 174.93 1n47 s ALA 209 N -1.66 -1.71 0.09 5.45 0.00 -0.74 -0.73 121.76 122.45 1n47 s ALA 209 Ca -0.12 0.75 -0.15 0.00 0.00 0.00 0.00 51.96 52.44 1n47 s ALA 209 Cb -0.05 0.64 0.03 0.00 0.00 0.00 0.00 23.12 23.74 1n47 s ALA 209 CO 0.01 -0.73 0.35 0.95 0.00 0.00 0.00 175.76 176.34 1n47 s THR 210 N -3.42 0.08 0.54 0.00 -4.23 -1.20 -1.58 115.64 105.82 1n47 s THR 210 Ca 0.03 -0.67 0.08 0.00 -1.18 0.00 0.00 61.69 59.95 1n47 s THR 210 Cb -0.01 -1.10 0.06 0.00 1.34 0.00 0.00 72.50 72.78 1n47 s THR 210 CO -0.11 -0.37 0.60 0.42 -0.54 0.00 0.00 174.62 174.62 1n47 s THR 211 N -3.28 2.05 0.69 3.99 -4.23 -0.01 -1.22 115.64 113.63 1n47 s THR 211 Ca -0.00 -1.21 -0.15 0.00 -1.18 0.00 0.00 61.69 59.15 1n47 s THR 211 Cb 0.01 -2.27 0.02 0.00 1.34 0.00 0.00 72.50 71.60 1n47 s THR 211 CO -0.08 0.00 1.13 -0.83 -0.54 0.00 0.00 174.62 174.30 1n47 s GLY 212 N -4.46 2.15 0.05 3.99 0.00 -1.08 -4.32 107.32 103.66 1n47 s GLY 212 Ca 0.50 0.60 0.27 0.00 0.00 0.00 0.00 44.72 46.09 1n47 s GLY 212 CO 0.31 0.97 1.68 1.04 0.00 0.00 0.00 173.10 177.10 1n47 n LEU 213 N -2.62 0.37 -4.54 0.66 4.77 -1.26 -0.80 117.00 113.58 1n47 n LEU 213 Ca 0.11 0.34 -0.34 0.00 -0.03 0.00 0.00 56.01 56.09 1n47 n LEU 213 Cb 0.52 -0.36 -0.12 0.00 -2.33 0.00 0.00 43.42 41.13 1n47 n LEU 213 CO 0.48 -0.00 -0.38 0.20 -1.33 0.00 0.00 177.39 176.35 1n47 s ASN 214 N -3.43 4.58 0.21 -1.43 -0.87 -1.26 -4.64 114.94 108.10 1n47 s ASN 214 Ca 0.11 -0.08 -0.29 0.00 -1.57 0.00 0.00 52.86 51.04 1n47 s ASN 214 Cb 0.17 -1.29 -0.16 0.00 -0.02 0.00 0.00 41.25 39.94 1n47 s ASN 214 CO 0.62 0.31 0.77 0.00 -2.57 0.00 0.00 177.10 176.23 1n47 n ALA 215 N 2.56 -1.91 -0.16 0.60 0.00 -1.26 -1.88 120.51 118.45 1n47 n ALA 215 Ca -0.18 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1n47 n ALA 215 Cb 0.53 -1.79 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1n47 n ALA 215 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n47 n GLY 216 N 1.73 2.45 3.24 0.00 0.00 -1.26 -4.92 105.19 106.44 1n47 n GLY 216 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1n47 n GLY 216 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1n47 n VAL 217 N -2.00 3.95 -3.84 1.61 0.31 -0.79 -4.71 118.33 112.87 1n47 n VAL 217 Ca 0.00 -5.28 -0.09 0.00 -0.01 0.00 0.00 64.34 58.95 1n47 n VAL 217 Cb 0.00 -2.50 -0.06 0.00 -0.91 0.00 0.00 33.84 30.37 1n47 n VAL 217 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1n47 s VAL 218 N -1.35 0.09 0.04 2.52 0.11 -1.05 -2.63 120.40 118.13 1n47 s VAL 218 Ca 0.30 -1.10 -0.27 0.00 -2.93 0.00 0.00 61.98 57.98 1n47 s VAL 218 Cb -0.09 -1.49 0.09 0.00 -1.53 0.00 0.00 36.38 33.36 1n47 s VAL 218 CO -0.10 -0.43 0.74 -1.83 -3.33 0.00 0.00 175.10 170.15 1n47 s GLU 219 N -3.89 1.03 0.73 1.54 -1.05 -1.24 -4.48 118.70 111.35 1n47 s GLU 219 Ca 0.09 -0.23 -0.09 0.00 -0.15 0.00 0.00 54.97 54.60 1n47 s GLU 219 Cb 0.03 0.48 0.06 0.00 -0.44 0.00 0.00 34.13 34.26 1n47 s GLU 219 CO -0.07 -0.42 1.07 0.95 0.95 0.00 0.00 175.26 177.74 1n47 s THR 220 N -2.84 2.32 -0.36 1.83 -4.23 0.07 -4.84 115.64 107.60 1n47 s THR 220 Ca -0.00 -0.13 0.01 0.00 -1.18 0.00 0.00 61.69 60.39 1n47 s THR 220 Cb -0.01 -3.05 0.15 0.00 1.34 0.00 0.00 72.50 70.93 1n47 s THR 220 CO -0.06 -0.06 0.27 -1.00 -0.54 0.00 0.00 174.62 173.23 1n47 s HIS 221 N -3.35 0.33 -0.25 3.99 0.09 -1.26 -4.19 115.29 110.66 1n47 s HIS 221 Ca 0.60 -1.32 -0.05 0.00 -0.00 0.00 0.00 55.06 54.29 1n47 s HIS 221 Cb -0.11 -0.72 -0.00 0.00 -0.00 0.00 0.00 32.58 31.75 1n47 s HIS 221 CO 0.46 -0.88 0.00 -0.51 -0.00 0.00 0.00 174.74 173.82 1n47 s ASP 222 N 1.20 4.64 -0.16 1.40 1.01 -0.59 -2.35 116.67 121.82 1n47 s ASP 222 Ca 0.18 -0.51 -0.23 0.00 0.71 0.00 0.00 52.55 52.69 1n47 s ASP 222 Cb -0.20 -1.79 -0.02 0.00 1.01 0.00 0.00 42.92 41.91 1n47 s ASP 222 CO -0.00 -0.08 0.74 -0.63 0.21 0.00 0.00 175.17 175.40 1n47 s ILE 223 N 1.48 4.96 -0.18 0.77 -1.09 -0.35 -1.39 121.20 125.41 1n47 s ILE 223 Ca 0.04 1.44 0.17 0.00 -2.23 0.00 0.00 60.65 60.08 1n47 s ILE 223 Cb -0.15 -4.05 -0.24 0.00 -1.58 0.00 0.00 42.46 36.43 1n47 s ILE 223 CO -0.01 0.10 0.10 0.52 -1.23 0.00 0.00 174.94 174.42 1n47 n VAL 224 N 4.53 1.22 -3.61 2.92 0.31 0.88 -1.55 118.33 123.03 1n47 n VAL 224 Ca 0.01 -0.79 -0.10 0.00 -0.01 0.00 0.00 64.34 63.45 1n47 n VAL 224 Cb 0.50 -0.45 -0.03 0.00 -0.91 0.00 0.00 33.84 32.95 1n47 n VAL 224 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1n47 s SER 225 N -5.29 -0.41 -0.29 4.52 1.04 -1.17 -4.48 113.70 107.62 1n47 s SER 225 Ca -0.09 -0.27 -0.16 0.00 0.48 0.00 0.00 55.95 55.91 1n47 s SER 225 Cb 0.06 0.62 0.14 0.00 0.10 0.00 0.00 66.02 66.94 1n47 s SER 225 CO 0.80 -1.07 0.92 0.86 0.98 0.00 0.00 173.24 175.72 1n47 s TRP 226 N -3.82 -0.69 0.03 5.02 -0.00 -0.60 -2.20 118.94 116.68 1n47 s TRP 226 Ca 0.05 1.35 -0.01 0.00 -0.00 0.00 0.00 56.10 57.49 1n47 s TRP 226 Cb -0.02 0.41 -0.02 0.00 -0.00 0.00 0.00 33.47 33.84 1n47 s TRP 226 CO -0.06 -0.34 -0.01 -1.54 -0.00 0.00 0.00 176.95 175.00 1n47 s SER 227 N 1.54 0.29 -0.05 5.86 1.04 0.17 0.65 113.70 123.20 1n47 s SER 227 Ca -0.09 -0.62 -0.16 0.00 0.48 0.00 0.00 55.95 55.56 1n47 s SER 227 Cb -0.04 0.15 0.03 0.00 0.10 0.00 0.00 66.02 66.26 1n47 s SER 227 CO -0.16 -0.41 0.36 0.12 0.98 0.00 0.00 173.24 174.13 1n47 s PHE 228 N -2.25 -0.28 -0.12 5.02 5.36 -0.50 -0.57 117.98 124.63 1n47 s PHE 228 Ca -0.08 0.53 -0.10 0.00 -0.96 0.00 0.00 56.93 56.31 1n47 s PHE 228 Cb -0.04 0.14 0.04 0.00 -0.34 0.00 0.00 43.02 42.82 1n47 s PHE 228 CO -0.04 -0.37 0.32 0.00 -1.46 0.00 0.00 175.22 173.68 1n47 s ALA 229 N -0.96 -0.79 0.04 11.12 0.00 -0.15 -2.12 121.76 128.89 1n47 s ALA 229 Ca -0.10 0.99 0.03 0.00 0.00 0.00 0.00 51.96 52.88 1n47 s ALA 229 Cb -0.04 -0.59 -0.02 0.00 0.00 0.00 0.00 23.12 22.47 1n47 s ALA 229 CO 0.04 -0.17 -0.09 0.14 0.00 0.00 0.00 175.76 175.67 1n47 s VAL 230 N 0.46 0.69 -0.04 0.00 -7.23 0.18 -0.97 120.40 113.49 1n47 s VAL 230 Ca -0.02 -1.04 -0.01 0.00 -1.81 0.00 0.00 61.98 59.09 1n47 s VAL 230 Cb -0.04 -0.71 0.03 0.00 0.56 0.00 0.00 36.38 36.22 1n47 s VAL 230 CO -0.02 -0.27 0.04 -0.55 -0.31 0.00 0.00 175.10 173.98 1n47 s SER 231 N -1.45 1.01 -0.42 4.85 0.15 0.55 -2.14 113.70 116.25 1n47 s SER 231 Ca -0.06 0.03 -0.04 0.00 0.70 0.00 0.00 55.95 56.58 1n47 s SER 231 Cb -0.09 -0.20 0.11 0.00 -1.71 0.00 0.00 66.02 64.13 1n47 s SER 231 CO 0.01 -0.21 0.23 -0.22 1.20 0.00 0.00 173.24 174.25 1n47 s LEU 232 N 1.87 5.33 0.00 3.45 2.96 -0.10 -0.61 118.68 131.58 1n47 s LEU 232 Ca 0.02 -2.01 0.27 0.00 -0.22 0.00 0.00 54.13 52.19 1n47 s LEU 232 Cb -0.12 -1.86 0.92 0.00 0.50 0.00 0.00 46.19 45.62 1n47 s LEU 232 CO -0.03 -0.57 1.67 0.00 -1.32 0.00 0.00 176.35 176.10