#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n2m s LEU 14 N 0.00 3.87 0.42 -0.35 1.43 -1.26 -5.02 118.68 117.77 1n2m s LEU 14 Ca 0.00 1.64 -0.27 0.00 -1.03 0.00 0.00 54.13 54.47 1n2m s LEU 14 Cb 0.00 -4.51 -0.09 0.00 0.03 0.00 0.00 46.19 41.62 1n2m s LEU 14 CO 0.00 -0.41 1.45 -2.84 0.23 0.00 0.00 176.35 174.78 1n2m s PRO 15 N -3.39 3.89 0.00 1.29 0.02 -1.26 -4.93 135.00 130.62 1n2m s PRO 15 Ca 0.61 2.47 0.03 0.00 0.02 0.00 0.00 61.00 64.13 1n2m s PRO 15 Cb -0.09 -2.80 0.08 0.00 0.02 0.00 0.00 34.50 31.71 1n2m s PRO 15 CO 0.18 -0.67 0.98 0.27 -0.33 0.00 0.00 177.00 177.42 1n2m n ASN 16 N 0.11 2.08 -4.03 2.53 0.23 -0.16 -4.66 115.26 111.37 1n2m n ASN 16 Ca 0.03 -1.83 -0.11 0.00 -0.53 0.00 0.00 54.58 52.15 1n2m n ASN 16 Cb 0.41 -0.06 -0.11 0.00 -2.08 0.00 0.00 39.78 37.94 1n2m n ASN 16 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1n2m s THR 17 N -0.85 0.33 -0.05 5.53 -4.23 -0.75 -0.84 115.64 114.77 1n2m s THR 17 Ca 0.06 -1.03 0.02 0.00 -1.18 0.00 0.00 61.69 59.56 1n2m s THR 17 Cb 0.03 -0.49 0.02 0.00 1.34 0.00 0.00 72.50 73.41 1n2m s THR 17 CO 0.05 -0.46 -0.08 -0.69 -0.54 0.00 0.00 174.62 172.89 1n2m s VAL 18 N -1.53 0.77 -0.11 2.29 1.01 -0.07 -0.81 120.40 121.96 1n2m s VAL 18 Ca -0.12 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1n2m s VAL 18 Cb -0.09 -0.74 0.01 0.00 0.00 0.00 0.00 36.38 35.56 1n2m s VAL 18 CO -0.01 0.27 -0.17 -0.44 0.00 0.00 0.00 175.10 174.76 1n2m s SER 19 N 0.76 2.56 -0.20 3.32 0.01 0.41 -1.13 113.70 119.42 1n2m s SER 19 Ca -0.12 -0.46 -0.16 0.00 1.31 0.00 0.00 55.95 56.51 1n2m s SER 19 Cb -0.15 -1.16 -0.04 0.00 0.21 0.00 0.00 66.02 64.89 1n2m s SER 19 CO 0.02 0.04 0.42 -0.76 0.41 0.00 0.00 173.24 173.37 1n2m s LEU 20 N 0.87 4.15 0.09 2.44 1.02 -1.26 0.13 118.68 126.12 1n2m s LEU 20 Ca -0.08 0.54 0.01 0.00 0.02 0.00 0.00 54.13 54.62 1n2m s LEU 20 Cb -0.15 -2.55 -0.04 0.00 0.02 0.00 0.00 46.19 43.46 1n2m s LEU 20 CO -0.00 -0.10 -0.05 0.68 0.02 0.00 0.00 176.35 176.89 1n2m s VAL 21 N 1.39 0.59 -0.03 -1.59 -7.23 -0.05 -4.89 120.40 108.58 1n2m s VAL 21 Ca 0.20 -1.91 -0.30 0.00 -1.81 0.00 0.00 61.98 58.16 1n2m s VAL 21 Cb -0.15 -1.68 0.07 0.00 0.56 0.00 0.00 36.38 35.18 1n2m s VAL 21 CO 0.08 -0.87 0.66 0.00 -0.31 0.00 0.00 175.10 174.67 1n2m s ALA 22 N -3.69 -1.73 0.12 1.32 0.00 -1.26 -0.04 121.76 116.48 1n2m s ALA 22 Ca 0.12 1.23 -0.26 0.00 0.00 0.00 0.00 51.96 53.05 1n2m s ALA 22 Cb 0.06 0.07 0.07 0.00 0.00 0.00 0.00 23.12 23.32 1n2m s ALA 22 CO -0.05 -0.40 0.92 0.20 0.00 0.00 0.00 175.76 176.43 1n2m s GLY 23 N -1.32 -0.29 0.07 0.00 0.00 0.62 -4.02 107.32 102.39 1n2m s GLY 23 Ca -0.10 0.31 -0.06 0.00 0.00 0.00 0.00 44.72 44.87 1n2m s GLY 23 CO 0.08 0.08 0.12 -1.35 0.00 0.00 0.00 173.10 172.03 1n2m s SER 24 N -2.83 0.23 -0.13 1.64 1.04 -1.26 -0.17 113.70 112.21 1n2m s SER 24 Ca 0.10 -0.72 -0.30 0.00 0.48 0.00 0.00 55.95 55.51 1n2m s SER 24 Cb -0.01 0.29 0.13 0.00 0.10 0.00 0.00 66.02 66.52 1n2m s SER 24 CO -0.01 -0.66 1.02 -0.55 0.98 0.00 0.00 173.24 174.02 1n2m s SER 25 N -2.76 -0.31 0.54 7.02 0.15 -0.60 -4.51 113.70 113.22 1n2m s SER 25 Ca 0.04 0.20 -0.04 0.00 0.70 0.00 0.00 55.95 56.86 1n2m s SER 25 Cb 0.05 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 1n2m s SER 25 CO -0.10 -0.39 0.82 -1.61 1.20 0.00 0.00 173.24 173.17 1n2m s GLU 26 N -1.87 2.99 -0.10 5.44 0.41 -1.26 -0.46 118.70 123.86 1n2m s GLU 26 Ca 0.02 -0.16 -0.30 0.00 -0.41 0.00 0.00 54.97 54.12 1n2m s GLU 26 Cb -0.01 -2.37 0.10 0.00 -1.78 0.00 0.00 34.13 30.07 1n2m s GLU 26 CO -0.03 -0.54 0.85 0.20 -0.49 0.00 0.00 175.26 175.25 1n2m s GLY 27 N -4.27 -0.42 0.51 -1.39 0.00 -0.03 -4.46 107.32 97.26 1n2m s GLY 27 Ca 0.52 1.63 0.33 0.00 0.00 0.00 0.00 44.72 47.19 1n2m s GLY 27 CO 0.43 0.94 1.97 0.83 0.00 0.00 0.00 173.10 177.26 1n2m h GLU 28 N 2.70 0.00 -3.95 2.90 5.08 -1.88 -3.41 114.58 116.01 1n2m h GLU 28 Ca -0.23 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.03 1n2m h GLU 28 Cb 1.16 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.27 1n2m h GLU 28 CO 0.35 0.00 -0.43 0.95 -1.00 0.00 0.00 179.01 178.88 1n2m s THR 29 N -3.65 0.13 0.20 1.13 -4.23 -1.26 -5.03 115.64 102.93 1n2m s THR 29 Ca 0.01 -1.40 -0.11 0.00 -1.18 0.00 0.00 61.69 59.01 1n2m s THR 29 Cb 0.09 -1.58 0.13 0.00 1.34 0.00 0.00 72.50 72.48 1n2m s THR 29 CO 0.50 -0.58 1.73 -0.65 -0.54 0.00 0.00 174.62 175.09 1n2m h PRO 30 N 2.76 0.34 -0.29 3.99 0.11 -1.96 0.39 132.00 137.33 1n2m h PRO 30 Ca -0.33 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.66 1n2m h PRO 30 Cb 1.20 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1n2m h PRO 30 CO 0.56 0.22 -0.24 1.25 -0.21 0.00 0.00 178.00 179.58 1n2m h LEU 31 N 0.35 0.55 -0.83 2.35 5.85 -1.97 0.62 115.31 122.22 1n2m h LEU 31 Ca 0.29 -0.19 -0.12 0.00 0.84 0.00 0.00 57.88 58.70 1n2m h LEU 31 Cb 0.36 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1n2m h LEU 31 CO -0.31 0.78 -0.44 0.78 -0.34 0.00 0.00 178.44 178.91 1n2m h ASN 32 N 0.48 0.34 -0.25 1.25 4.21 -1.77 0.22 115.58 120.07 1n2m h ASN 32 Ca 0.07 -0.15 -0.13 0.00 1.21 0.00 0.00 56.30 57.29 1n2m h ASN 32 Cb 0.68 -0.10 -0.00 0.00 -1.12 0.00 0.00 38.32 37.78 1n2m h ASN 32 CO 0.05 0.74 -0.37 0.00 -1.29 0.00 0.00 177.43 176.56 1n2m h ALA 33 N 1.28 0.38 -0.21 -0.83 0.00 -0.49 0.22 119.26 119.61 1n2m h ALA 33 Ca 0.02 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1n2m h ALA 33 Cb 0.88 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1n2m h ALA 33 CO 0.07 0.46 0.13 0.35 0.00 0.00 0.00 179.25 180.26 1n2m h PHE 34 N 0.41 0.27 -0.74 0.00 3.57 -0.70 0.10 116.94 119.85 1n2m h PHE 34 Ca 0.02 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.55 1n2m h PHE 34 Cb 0.96 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.57 1n2m h PHE 34 CO 0.08 0.21 0.47 0.22 -2.23 0.00 0.00 178.31 177.06 1n2m h ASP 35 N 0.26 0.78 -0.65 0.41 3.58 -0.89 -0.54 116.42 119.37 1n2m h ASP 35 Ca 0.07 -0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.47 1n2m h ASP 35 Cb 0.02 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 40.86 1n2m h ASP 35 CO -0.01 0.54 0.23 1.23 -2.88 0.00 0.00 179.24 178.34 1n2m h GLY 36 N 0.92 1.09 1.04 -0.78 0.00 -0.43 -0.98 103.07 103.93 1n2m h GLY 36 Ca 0.30 -0.61 -0.10 0.00 0.00 0.00 0.00 47.33 46.92 1n2m h GLY 36 CO -0.11 0.57 -0.11 0.00 0.00 0.00 0.00 176.54 176.89 1n2m h ALA 37 N 1.26 0.65 -0.60 3.60 0.00 0.17 0.56 119.26 124.91 1n2m h ALA 37 Ca 0.22 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1n2m h ALA 37 Cb 0.25 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1n2m h ALA 37 CO -0.01 0.55 0.29 -0.07 0.00 0.00 0.00 179.25 180.01 1n2m h LEU 38 N 0.76 0.77 -0.55 0.00 3.38 -0.80 0.11 115.31 118.98 1n2m h LEU 38 Ca 0.12 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1n2m h LEU 38 Cb 0.66 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1n2m h LEU 38 CO 0.05 0.68 0.33 -0.07 0.09 0.00 0.00 178.44 179.51 1n2m h LEU 39 N 0.81 0.67 -1.16 1.67 3.38 -0.96 -0.10 115.31 119.62 1n2m h LEU 39 Ca 0.21 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1n2m h LEU 39 Cb 0.10 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1n2m h LEU 39 CO -0.03 0.53 0.05 -1.13 0.09 0.00 0.00 178.44 177.96 1n2m h ASN 40 N 0.74 0.59 1.02 -0.43 -0.73 -0.38 -1.96 115.58 114.42 1n2m h ASN 40 Ca 0.20 -0.11 -0.06 0.00 1.87 0.00 0.00 56.30 58.20 1n2m h ASN 40 Cb -0.01 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 38.42 1n2m h ASN 40 CO -0.04 0.63 -0.28 0.00 -0.37 0.00 0.00 177.43 177.37 1n2m h ALA 41 N 1.45 0.97 0.00 1.57 0.00 -0.15 -3.45 119.26 119.65 1n2m h ALA 41 Ca 0.13 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1n2m h ALA 41 Cb 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1n2m h ALA 41 CO 0.01 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.02 1n2m n GLY 42 N 0.34 0.96 1.50 0.00 0.00 -0.20 -4.45 105.19 103.33 1n2m n GLY 42 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1n2m n GLY 42 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1n2m n ILE 43 N -1.59 1.68 0.44 -0.61 -5.35 -0.31 -4.84 119.36 108.78 1n2m n ILE 43 Ca 0.00 -2.97 0.13 0.00 -0.27 0.00 0.00 62.75 59.64 1n2m n ILE 43 Cb 0.00 0.02 0.46 0.00 -1.74 0.00 0.00 39.64 38.38 1n2m n ILE 43 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1n2m h GLY 44 N 1.55 0.00 -2.10 3.28 0.00 -1.68 -3.27 103.07 100.85 1n2m h GLY 44 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.17 1n2m h GLY 44 CO 0.25 0.00 -0.06 0.70 0.00 0.00 0.00 176.54 177.42 1n2m n ASN 45 N -2.45 2.50 -4.25 0.19 5.03 -1.26 -4.76 115.26 110.26 1n2m n ASN 45 Ca 0.03 -3.78 -0.14 0.00 0.87 0.00 0.00 54.58 51.56 1n2m n ASN 45 Cb 0.34 -0.64 -0.10 0.00 -1.02 0.00 0.00 39.78 38.36 1n2m n ASN 45 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1n2m s VAL 46 N -3.25 1.00 -0.28 2.41 -7.23 -1.23 0.14 120.40 111.95 1n2m s VAL 46 Ca 0.45 -2.03 -0.19 0.00 -1.81 0.00 0.00 61.98 58.40 1n2m s VAL 46 Cb 0.41 -1.96 -0.02 0.00 0.56 0.00 0.00 36.38 35.37 1n2m s VAL 46 CO -0.00 -0.64 0.59 0.20 -0.31 0.00 0.00 175.10 174.93 1n2m s ASN 47 N -3.18 6.49 -0.17 4.85 0.01 0.17 -4.84 114.94 118.27 1n2m s ASN 47 Ca 0.19 0.51 -0.21 0.00 -0.71 0.00 0.00 52.86 52.65 1n2m s ASN 47 Cb 0.04 -2.31 -0.03 0.00 0.41 0.00 0.00 41.25 39.36 1n2m s ASN 47 CO 0.02 -0.39 0.62 -0.76 -1.51 0.00 0.00 177.10 175.08 1n2m s LEU 48 N 2.47 4.18 -0.40 0.60 1.43 -1.26 -0.00 118.68 125.69 1n2m s LEU 48 Ca 0.24 0.87 -0.07 0.00 -1.03 0.00 0.00 54.13 54.14 1n2m s LEU 48 Cb -0.15 -2.89 0.08 0.00 0.03 0.00 0.00 46.19 43.26 1n2m s LEU 48 CO 0.10 -0.22 0.21 -0.63 0.23 0.00 0.00 176.35 176.04 1n2m s ILE 49 N 1.64 3.82 0.23 -0.59 1.01 0.26 -4.92 121.20 122.65 1n2m s ILE 49 Ca 0.29 -1.56 -0.31 0.00 0.00 0.00 0.00 60.65 59.07 1n2m s ILE 49 Cb -0.16 -3.39 -0.12 0.00 0.01 0.00 0.00 42.46 38.81 1n2m s ILE 49 CO 0.11 -0.50 1.67 -0.60 0.00 0.00 0.00 174.94 175.62 1n2m s ARG 50 N 1.33 4.13 0.25 2.79 3.52 -1.25 0.17 118.95 129.89 1n2m s ARG 50 Ca 0.03 2.57 0.10 0.00 -0.13 0.00 0.00 55.73 58.30 1n2m s ARG 50 Cb -0.22 -3.07 -0.05 0.00 -1.56 0.00 0.00 34.95 30.05 1n2m s ARG 50 CO 0.00 -0.70 -0.17 0.96 -0.81 0.00 0.00 175.30 174.58 1n2m s ILE 51 N 0.83 2.14 0.37 4.11 -4.36 -0.83 -4.82 121.20 118.64 1n2m s ILE 51 Ca 0.71 -2.32 0.38 0.00 -0.26 0.00 0.00 60.65 59.16 1n2m s ILE 51 Cb -0.49 -2.20 0.41 0.00 1.25 0.00 0.00 42.46 41.43 1n2m s ILE 51 CO 0.37 -0.48 2.16 0.77 0.24 0.00 0.00 174.94 178.00 1n2m h SER 52 N 2.39 0.00 -1.67 4.36 4.64 -1.95 -3.41 113.55 117.91 1n2m h SER 52 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1n2m h SER 52 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1n2m h SER 52 CO 0.61 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 176.59 1n2m n ALA 53 N -2.11 -1.67 -3.72 5.18 0.00 -1.26 -4.94 120.51 111.99 1n2m n ALA 53 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.27 1n2m n ALA 53 Cb 0.20 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.49 1n2m n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1n2m s ILE 54 N 0.00 -0.11 -0.30 0.00 -1.09 -1.26 -2.96 121.20 115.48 1n2m s ILE 54 Ca 0.00 0.27 -0.25 0.00 -2.23 0.00 0.00 60.65 58.44 1n2m s ILE 54 Cb 0.00 -0.20 0.00 0.00 -1.58 0.00 0.00 42.46 40.68 1n2m s ILE 54 CO 0.00 0.11 0.87 -0.32 -1.23 0.00 0.00 174.94 174.37 1n2m s MET 55 N 1.57 4.03 0.58 2.79 -2.45 0.41 -4.93 119.30 121.30 1n2m s MET 55 Ca -0.04 0.78 -0.20 0.00 -1.25 0.00 0.00 55.69 54.98 1n2m s MET 55 Cb -0.12 -3.71 -0.05 0.00 1.25 0.00 0.00 34.83 32.20 1n2m s MET 55 CO -0.05 -0.71 1.12 -2.30 1.05 0.00 0.00 175.02 174.13 1n2m n PRO 56 N 6.33 1.16 -1.71 4.11 -0.02 -1.26 0.04 135.00 143.65 1n2m n PRO 56 Ca 0.06 0.44 -0.38 0.00 -2.02 0.00 0.00 63.50 61.60 1n2m n PRO 56 Cb 0.48 -2.31 0.05 0.00 -0.02 0.00 0.00 33.50 31.69 1n2m n PRO 56 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1n2m n PRO 57 N -1.05 1.40 -0.66 0.52 -0.02 -1.26 -1.76 135.00 132.17 1n2m n PRO 57 Ca 0.13 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1n2m n PRO 57 Cb 0.46 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 1n2m n PRO 57 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1n2m n GLU 58 N -1.21 0.00 -1.73 -0.52 1.02 -1.15 -4.97 120.64 112.09 1n2m n GLU 58 Ca 0.12 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.94 1n2m n GLU 58 Cb 0.46 -3.78 0.04 0.00 -0.02 0.00 0.00 31.44 28.14 1n2m n GLU 58 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1n2m s ALA 59 N -2.05 2.58 0.02 0.62 0.00 -0.72 -4.98 121.76 117.23 1n2m s ALA 59 Ca 0.00 0.33 0.07 0.00 0.00 0.00 0.00 51.96 52.36 1n2m s ALA 59 Cb 0.00 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 1n2m s ALA 59 CO 0.00 -1.19 -0.20 -1.21 0.00 0.00 0.00 175.76 173.17 1n2m s GLU 60 N -4.45 1.43 -0.27 0.00 2.02 -0.02 -4.94 118.70 112.46 1n2m s GLU 60 Ca 0.63 -0.85 -0.29 0.00 0.02 0.00 0.00 54.97 54.48 1n2m s GLU 60 Cb -0.17 -1.48 0.01 0.00 0.10 0.00 0.00 34.13 32.59 1n2m s GLU 60 CO 0.46 0.39 1.07 0.42 0.02 0.00 0.00 175.26 177.61 1n2m s ILE 61 N -0.69 4.58 0.17 -1.63 1.01 -1.26 -0.89 121.20 122.50 1n2m s ILE 61 Ca 0.07 1.88 0.05 0.00 0.00 0.00 0.00 60.65 62.65 1n2m s ILE 61 Cb -0.08 -4.35 -0.05 0.00 0.01 0.00 0.00 42.46 37.99 1n2m s ILE 61 CO 0.01 -0.32 -0.09 0.68 0.00 0.00 0.00 174.94 175.22 1n2m s VAL 62 N 3.43 1.25 0.65 2.92 -7.23 -0.28 -4.92 120.40 116.22 1n2m s VAL 62 Ca 0.45 -2.08 -0.17 0.00 -1.81 0.00 0.00 61.98 58.37 1n2m s VAL 62 Cb -0.14 -1.96 -0.00 0.00 0.56 0.00 0.00 36.38 34.83 1n2m s VAL 62 CO 0.11 -0.65 1.21 -2.84 -0.31 0.00 0.00 175.10 172.62 1n2m s PRO 63 N -3.75 2.61 -0.13 4.82 0.02 -1.26 -4.18 135.00 133.13 1n2m s PRO 63 Ca 0.20 1.80 -0.36 0.00 0.02 0.00 0.00 61.00 62.66 1n2m s PRO 63 Cb 0.03 -1.89 -0.13 0.00 0.02 0.00 0.00 34.50 32.53 1n2m s PRO 63 CO 0.03 -1.48 1.82 -0.11 -0.33 0.00 0.00 177.00 176.92 1n2m n LEU 64 N -2.09 3.10 -4.81 -5.54 7.94 -1.26 -4.93 117.00 109.41 1n2m n LEU 64 Ca 0.14 1.01 -0.29 0.00 -1.11 0.00 0.00 56.01 55.75 1n2m n LEU 64 Cb 0.50 -1.31 0.11 0.00 0.53 0.00 0.00 43.42 43.25 1n2m n LEU 64 CO 0.46 -0.19 0.72 -2.16 -1.11 0.00 0.00 177.39 175.11 1n2m s PRO 65 N 3.69 1.71 -0.47 1.96 0.04 -1.26 -4.93 135.00 135.73 1n2m s PRO 65 Ca 0.93 0.42 -0.28 0.00 0.04 0.00 0.00 61.00 62.11 1n2m s PRO 65 Cb -0.80 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 31.84 1n2m s PRO 65 CO 0.55 -1.83 1.67 0.21 0.04 0.00 0.00 177.00 177.64 1n2m s LYS 66 N -5.27 3.17 -0.11 4.56 2.20 -1.26 -4.97 119.74 118.06 1n2m s LYS 66 Ca 0.62 0.92 -0.15 0.00 -0.36 0.00 0.00 55.97 57.00 1n2m s LYS 66 Cb -0.14 -4.21 -0.05 0.00 -1.51 0.00 0.00 37.83 31.93 1n2m s LYS 66 CO 0.53 -2.07 0.36 -0.51 -0.36 0.00 0.00 175.35 173.31 1n2m s LEU 67 N 7.09 4.31 0.29 5.43 1.43 -1.26 -5.05 118.68 130.92 1n2m s LEU 67 Ca 0.68 0.69 -0.29 0.00 -1.03 0.00 0.00 54.13 54.18 1n2m s LEU 67 Cb -0.16 -2.50 -0.10 0.00 0.03 0.00 0.00 46.19 43.46 1n2m s LEU 67 CO 0.28 0.14 1.40 -2.84 0.23 0.00 0.00 176.35 175.56 1n2m s PRO 68 N 0.09 4.28 0.24 1.29 0.02 -1.26 -4.91 135.00 134.75 1n2m s PRO 68 Ca 0.21 2.31 -0.31 0.00 0.02 0.00 0.00 61.00 63.22 1n2m s PRO 68 Cb -0.14 -3.08 -0.13 0.00 0.02 0.00 0.00 34.50 31.17 1n2m s PRO 68 CO 0.08 -0.36 1.55 -1.33 -0.33 0.00 0.00 177.00 176.62 1n2m n MET 69 N 1.60 2.41 -0.67 5.54 2.81 -1.26 -1.76 117.12 125.79 1n2m n MET 69 Ca 0.04 0.86 0.00 0.00 -1.81 0.00 0.00 57.70 56.79 1n2m n MET 69 Cb 0.41 -2.61 0.00 0.00 -0.71 0.00 0.00 33.22 30.30 1n2m n MET 69 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1n2m n GLY 70 N 2.66 0.80 3.70 3.03 0.00 0.12 -4.97 105.19 110.54 1n2m n GLY 70 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1n2m n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n2m n ALA 71 N -0.00 1.28 -2.91 4.61 0.00 -0.72 -4.18 120.51 118.57 1n2m n ALA 71 Ca 0.00 0.25 -0.44 0.00 0.00 0.00 0.00 53.44 53.26 1n2m n ALA 71 Cb 0.00 -2.27 -0.03 0.00 0.00 0.00 0.00 19.45 17.15 1n2m n ALA 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1n2m s LEU 72 N -1.76 4.84 -0.34 0.00 1.43 -1.26 0.42 118.68 122.01 1n2m s LEU 72 Ca 0.62 -1.62 -0.13 0.00 -1.03 0.00 0.00 54.13 51.97 1n2m s LEU 72 Cb -0.50 -2.40 -0.02 0.00 0.03 0.00 0.00 46.19 43.30 1n2m s LEU 72 CO 0.57 -1.20 0.24 -0.69 0.23 0.00 0.00 176.35 175.50 1n2m s VAL 73 N 3.18 5.27 -0.04 -1.59 1.01 0.99 -4.93 120.40 124.30 1n2m s VAL 73 Ca 0.27 -0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.73 1n2m s VAL 73 Cb -0.11 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.51 1n2m s VAL 73 CO -0.01 -0.01 1.69 -2.84 0.00 0.00 0.00 175.10 173.92 1n2m s PRO 74 N 1.72 4.18 -0.03 2.72 0.02 -1.26 -0.58 135.00 141.77 1n2m s PRO 74 Ca 0.06 2.23 0.00 0.00 0.02 0.00 0.00 61.00 63.31 1n2m s PRO 74 Cb -0.17 -4.00 0.03 0.00 0.02 0.00 0.00 34.50 30.37 1n2m s PRO 74 CO 0.10 -0.86 0.02 0.99 -0.33 0.00 0.00 177.00 176.92 1n2m s THR 75 N 4.08 0.07 -0.17 0.99 2.01 0.13 -1.21 115.64 121.53 1n2m s THR 75 Ca 0.75 0.16 -0.21 0.00 0.31 0.00 0.00 61.69 62.71 1n2m s THR 75 Cb -0.34 -0.19 -0.03 0.00 0.01 0.00 0.00 72.50 71.95 1n2m s THR 75 CO 0.31 0.13 0.62 0.00 -0.69 0.00 0.00 174.62 174.98 1n2m s ALA 76 N 1.14 3.51 0.03 7.40 0.00 -0.59 -1.97 121.76 131.28 1n2m s ALA 76 Ca -0.08 -0.22 -0.13 0.00 0.00 0.00 0.00 51.96 51.53 1n2m s ALA 76 Cb -0.13 -2.93 0.02 0.00 0.00 0.00 0.00 23.12 20.08 1n2m s ALA 76 CO -0.02 -0.43 0.28 1.52 0.00 0.00 0.00 175.76 177.10 1n2m s TYR 77 N 1.62 -0.08 0.03 0.00 -0.85 -1.26 -0.11 117.35 116.69 1n2m s TYR 77 Ca 0.29 -0.01 0.07 0.00 -0.52 0.00 0.00 57.07 56.90 1n2m s TYR 77 Cb -0.16 0.06 -0.02 0.00 0.38 0.00 0.00 41.96 42.22 1n2m s TYR 77 CO 0.11 -0.45 -0.21 0.20 -1.52 0.00 0.00 175.55 173.68 1n2m s GLY 78 N -1.85 1.12 0.06 5.49 0.00 0.23 -4.98 107.32 107.39 1n2m s GLY 78 Ca -0.08 -1.03 -0.17 0.00 0.00 0.00 0.00 44.72 43.44 1n2m s GLY 78 CO -0.01 -0.93 0.40 -2.52 0.00 0.00 0.00 173.10 170.03 1n2m s TYR 79 N -0.71 -0.24 -0.10 1.90 -0.85 -1.26 -1.50 117.35 114.60 1n2m s TYR 79 Ca 0.08 0.13 -0.08 0.00 -0.52 0.00 0.00 57.07 56.68 1n2m s TYR 79 Cb -0.09 0.21 0.03 0.00 0.38 0.00 0.00 41.96 42.50 1n2m s TYR 79 CO 0.01 -0.59 0.26 -1.50 -1.52 0.00 0.00 175.55 172.20 1n2m s ILE 80 N -2.77 -0.01 -0.05 -3.49 2.07 -0.61 -4.89 121.20 111.45 1n2m s ILE 80 Ca -0.03 0.05 0.06 0.00 -1.41 0.00 0.00 60.65 59.32 1n2m s ILE 80 Cb -0.00 -0.37 -0.01 0.00 0.13 0.00 0.00 42.46 42.20 1n2m s ILE 80 CO -0.04 0.02 -0.25 -0.63 -1.91 0.00 0.00 174.94 172.13 1n2m s ILE 81 N 0.55 2.04 0.00 2.00 1.01 -1.26 -1.08 121.20 124.46 1n2m s ILE 81 Ca -0.03 -1.07 0.00 0.00 0.00 0.00 0.00 60.65 59.55 1n2m s ILE 81 Cb -0.05 -1.72 -0.00 0.00 0.01 0.00 0.00 42.46 40.70 1n2m s ILE 81 CO -0.03 0.57 -0.00 -0.55 0.00 0.00 0.00 174.94 174.93 1n2m s SER 82 N -0.26 0.02 -0.10 3.58 0.15 0.11 -5.00 113.70 112.19 1n2m s SER 82 Ca -0.01 -0.01 0.14 0.00 0.70 0.00 0.00 55.95 56.77 1n2m s SER 82 Cb -0.13 0.00 0.39 0.00 -1.71 0.00 0.00 66.02 64.57 1n2m s SER 82 CO 0.03 -0.01 1.31 -0.90 1.20 0.00 0.00 173.24 174.87 1n2m n ASP 83 N 3.04 3.27 -4.48 5.45 5.75 -1.26 -0.43 116.55 127.90 1n2m n ASP 83 Ca -0.12 -2.61 -0.43 0.00 -0.01 0.00 0.00 54.79 51.62 1n2m n ASP 83 Cb 0.60 -0.39 -0.07 0.00 -1.03 0.00 0.00 41.12 40.23 1n2m n ASP 83 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1n2m s VAL 84 N -2.08 4.88 0.25 2.12 1.01 -1.26 -4.72 120.40 120.60 1n2m s VAL 84 Ca 0.32 -0.27 -0.31 0.00 0.00 0.00 0.00 61.98 61.72 1n2m s VAL 84 Cb 0.24 -4.23 -0.14 0.00 0.00 0.00 0.00 36.38 32.25 1n2m s VAL 84 CO 0.10 -0.69 1.34 -2.65 0.00 0.00 0.00 175.10 173.20 1n2m n PRO 85 N 6.13 1.90 0.00 2.72 -0.02 -1.26 -1.76 135.00 142.72 1n2m n PRO 85 Ca -0.05 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1n2m n PRO 85 Cb 0.46 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1n2m n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n2m n GLY 86 N 1.92 2.95 3.70 -1.23 0.00 0.17 -4.97 105.19 107.73 1n2m n GLY 86 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1n2m n GLY 86 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1n2m s GLU 87 N -0.14 4.28 -0.13 1.61 2.12 -0.72 -4.64 118.70 121.07 1n2m s GLU 87 Ca 0.00 2.11 -0.19 0.00 0.36 0.00 0.00 54.97 57.26 1n2m s GLU 87 Cb 0.00 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.97 1n2m s GLU 87 CO 0.00 -0.54 0.50 0.99 -0.54 0.00 0.00 175.26 175.67 1n2m s THR 88 N 1.69 5.16 0.10 -1.70 2.01 -1.26 -1.39 115.64 120.25 1n2m s THR 88 Ca 0.66 0.98 0.10 0.00 0.31 0.00 0.00 61.69 63.75 1n2m s THR 88 Cb -0.37 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 1n2m s THR 88 CO 0.30 0.29 -0.26 0.27 -0.69 0.00 0.00 174.62 174.53 1n2m s ILE 89 N 0.85 2.12 0.05 1.82 -4.36 0.64 -3.11 121.20 119.21 1n2m s ILE 89 Ca 0.26 -1.60 -0.00 0.00 -0.26 0.00 0.00 60.65 59.05 1n2m s ILE 89 Cb -0.15 -1.87 -0.04 0.00 1.25 0.00 0.00 42.46 41.66 1n2m s ILE 89 CO 0.11 0.15 -0.04 -0.44 0.24 0.00 0.00 174.94 174.96 1n2m s SER 90 N -1.77 0.54 -0.05 4.36 0.01 -0.11 -0.10 113.70 116.58 1n2m s SER 90 Ca 0.12 -0.89 -0.06 0.00 1.31 0.00 0.00 55.95 56.43 1n2m s SER 90 Cb -0.10 0.16 0.01 0.00 0.21 0.00 0.00 66.02 66.30 1n2m s SER 90 CO 0.04 -0.51 0.17 0.00 0.41 0.00 0.00 173.24 173.35 1n2m s ALA 91 N -3.30 -0.41 0.06 1.44 0.00 -0.66 -1.39 121.76 117.50 1n2m s ALA 91 Ca 0.02 0.38 -0.09 0.00 0.00 0.00 0.00 51.96 52.28 1n2m s ALA 91 Cb 0.03 -0.22 -0.00 0.00 0.00 0.00 0.00 23.12 22.94 1n2m s ALA 91 CO -0.07 -0.10 0.18 0.00 0.00 0.00 0.00 175.76 175.77 1n2m s ALA 92 N -0.15 -0.27 -0.01 0.00 0.00 0.74 -1.17 121.76 120.91 1n2m s ALA 92 Ca -0.02 -0.44 -0.02 0.00 0.00 0.00 0.00 51.96 51.48 1n2m s ALA 92 Cb -0.02 0.34 -0.00 0.00 0.00 0.00 0.00 23.12 23.44 1n2m s ALA 92 CO 0.00 -0.41 0.04 -1.50 0.00 0.00 0.00 175.76 173.90 1n2m s ILE 93 N -3.02 0.03 0.07 0.00 1.10 -0.48 -0.93 121.20 117.96 1n2m s ILE 93 Ca -0.01 -0.23 0.02 0.00 -0.51 0.00 0.00 60.65 59.92 1n2m s ILE 93 Cb 0.01 -0.14 -0.03 0.00 0.15 0.00 0.00 42.46 42.45 1n2m s ILE 93 CO -0.06 -0.13 -0.07 -0.94 -2.11 0.00 0.00 174.94 171.63 1n2m s SER 94 N -0.37 0.97 -0.17 4.50 1.04 0.10 -1.61 113.70 118.16 1n2m s SER 94 Ca -0.04 -0.78 -0.01 0.00 0.48 0.00 0.00 55.95 55.59 1n2m s SER 94 Cb -0.03 0.07 0.05 0.00 0.10 0.00 0.00 66.02 66.21 1n2m s SER 94 CO -0.00 -0.34 -0.01 -0.69 0.98 0.00 0.00 173.24 173.18 1n2m s VAL 95 N -2.55 0.81 -0.34 5.02 1.01 0.61 -0.97 120.40 124.00 1n2m s VAL 95 Ca 0.01 -0.56 -0.23 0.00 0.00 0.00 0.00 61.98 61.20 1n2m s VAL 95 Cb -0.02 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.23 1n2m s VAL 95 CO -0.02 -0.01 0.77 0.00 0.00 0.00 0.00 175.10 175.83 1n2m s ALA 96 N 1.75 3.48 -0.19 5.51 0.00 0.15 -1.65 121.76 130.80 1n2m s ALA 96 Ca -0.00 -0.56 -0.13 0.00 0.00 0.00 0.00 51.96 51.27 1n2m s ALA 96 Cb -0.16 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.60 1n2m s ALA 96 CO -0.07 -1.34 0.26 0.42 0.00 0.00 0.00 175.76 175.03 1n2m s ILE 97 N 3.00 5.31 0.42 0.00 1.01 0.47 -1.05 121.20 130.37 1n2m s ILE 97 Ca 0.31 0.45 -0.22 0.00 0.00 0.00 0.00 60.65 61.20 1n2m s ILE 97 Cb -0.14 -3.60 -0.11 0.00 0.01 0.00 0.00 42.46 38.63 1n2m s ILE 97 CO 0.15 0.36 0.96 -2.16 0.00 0.00 0.00 174.94 174.24 1n2m s PRO 98 N 0.73 4.25 0.10 2.79 0.04 -1.26 -0.42 135.00 141.23 1n2m s PRO 98 Ca 0.14 1.17 -0.17 0.00 0.04 0.00 0.00 61.00 62.18 1n2m s PRO 98 Cb -0.13 -2.26 -0.05 0.00 0.04 0.00 0.00 34.50 32.10 1n2m s PRO 98 CO 0.04 -0.02 1.56 -0.22 0.04 0.00 0.00 177.00 178.40 1n2m h LYS 99 N 2.05 0.55 -6.52 4.56 1.63 -1.61 -3.39 116.57 113.85 1n2m h LYS 99 Ca -0.49 -0.16 -0.57 0.00 -0.85 0.00 0.00 60.65 58.58 1n2m h LYS 99 Cb 1.18 -0.06 -0.07 0.00 -0.60 0.00 0.00 32.23 32.69 1n2m h LYS 99 CO 0.61 0.67 0.89 0.34 -3.45 0.00 0.00 179.45 178.51 1n2m s ASP 100 N -6.02 6.78 0.30 4.20 -1.08 -1.26 -4.90 116.67 114.69 1n2m s ASP 100 Ca -0.13 0.74 0.24 0.00 -0.52 0.00 0.00 52.55 52.88 1n2m s ASP 100 Cb 0.09 -2.55 1.09 0.00 -1.46 0.00 0.00 42.92 40.09 1n2m s ASP 100 CO 0.76 -1.08 1.73 0.11 0.52 0.00 0.00 175.17 177.21 1n2m h LYS 101 N 8.68 0.00 0.00 4.34 1.79 -2.00 -1.76 116.57 127.61 1n2m h LYS 101 Ca -0.22 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.25 1n2m h LYS 101 Cb 1.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 1n2m h LYS 101 CO 1.08 0.00 0.00 0.66 -1.08 0.00 0.00 179.45 180.11 1n2m h SER 102 N 0.00 0.00 -3.52 0.86 4.64 -1.94 -3.03 113.55 110.55 1n2m h SER 102 Ca 0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 1n2m h SER 102 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1n2m h SER 102 CO 0.00 0.00 0.03 -0.76 -0.87 0.00 0.00 176.83 175.23 1n2m s LEU 103 N -5.24 3.90 0.60 5.97 1.43 -0.67 -4.78 118.68 119.89 1n2m s LEU 103 Ca 0.06 0.98 -0.09 0.00 -1.03 0.00 0.00 54.13 54.05 1n2m s LEU 103 Cb 0.09 -3.84 -0.02 0.00 0.03 0.00 0.00 46.19 42.45 1n2m s LEU 103 CO 0.54 -0.34 0.96 0.00 0.23 0.00 0.00 176.35 177.74 1n2m s GLY 105 N -4.23 1.77 -0.17 0.00 0.00 0.11 -4.49 107.32 100.31 1n2m s GLY 105 Ca 0.54 -0.77 -0.05 0.00 0.00 0.00 0.00 44.72 44.43 1n2m s GLY 105 CO 0.50 -0.71 0.00 1.08 0.00 0.00 0.00 173.10 173.97 1n2m s LEU 106 N -3.46 3.47 -0.22 0.66 1.43 -0.21 -0.45 118.68 119.90 1n2m s LEU 106 Ca 0.40 -0.05 -0.06 0.00 -1.03 0.00 0.00 54.13 53.39 1n2m s LEU 106 Cb -0.11 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 1n2m s LEU 106 CO 0.30 0.16 0.02 -0.63 0.23 0.00 0.00 176.35 176.43 1n2m s ILE 107 N 0.41 4.09 0.14 -0.59 1.01 -1.15 0.29 121.20 125.39 1n2m s ILE 107 Ca -0.01 -0.26 0.10 0.00 0.00 0.00 0.00 60.65 60.48 1n2m s ILE 107 Cb -0.13 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 1n2m s ILE 107 CO 0.02 0.40 -0.21 -0.04 0.00 0.00 0.00 174.94 175.11 1n2m s MET 108 N 1.18 1.66 0.04 2.79 -1.94 -0.14 -4.74 119.30 118.14 1n2m s MET 108 Ca 0.03 -1.28 0.02 0.00 -1.71 0.00 0.00 55.69 52.75 1n2m s MET 108 Cb -0.14 -2.02 -0.02 0.00 2.01 0.00 0.00 34.83 34.65 1n2m s MET 108 CO 0.02 0.46 -0.07 -1.83 -0.01 0.00 0.00 175.02 173.59 1n2m s GLU 109 N -2.24 0.49 0.00 2.03 4.04 -1.26 -0.73 118.70 121.04 1n2m s GLU 109 Ca 0.18 -0.69 -0.15 0.00 0.04 0.00 0.00 54.97 54.35 1n2m s GLU 109 Cb -0.10 -0.26 0.02 0.00 0.02 0.00 0.00 34.13 33.82 1n2m s GLU 109 CO 0.09 0.04 0.31 -0.47 -1.84 0.00 0.00 175.26 173.40 1n2m s TYR 110 N -1.28 -0.17 -0.02 4.83 5.04 -0.11 -4.98 117.35 120.68 1n2m s TYR 110 Ca -0.10 0.19 -0.20 0.00 -2.44 0.00 0.00 57.07 54.52 1n2m s TYR 110 Cb -0.09 0.10 0.04 0.00 0.35 0.00 0.00 41.96 42.36 1n2m s TYR 110 CO 0.00 -0.43 0.44 -1.83 -1.34 0.00 0.00 175.55 172.39 1n2m s GLU 111 N -1.69 0.82 0.00 4.97 1.03 -1.26 -0.19 118.70 122.39 1n2m s GLU 111 Ca -0.11 -0.08 0.00 0.00 0.03 0.00 0.00 54.97 54.81 1n2m s GLU 111 Cb -0.04 0.37 0.00 0.00 -0.80 0.00 0.00 34.13 33.67 1n2m s GLU 111 CO 0.02 -0.25 0.00 0.41 -1.33 0.00 0.00 175.26 174.12 1n2m n GLY 112 N 1.06 -0.70 3.26 -3.83 0.00 -0.49 -4.99 105.19 99.51 1n2m n GLY 112 Ca -0.20 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.41 1n2m n GLY 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n2m n LYS 113 N -0.02 3.43 -3.96 1.61 5.02 -1.26 -0.93 118.16 122.04 1n2m n LYS 113 Ca 0.00 -3.68 -0.12 0.00 -2.02 0.00 0.00 58.31 52.49 1n2m n LYS 113 Cb 0.00 -3.04 -0.01 0.00 -0.02 0.00 0.00 35.03 31.96 1n2m n LYS 113 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n2m s SER 115 N -3.15 5.20 0.22 0.00 1.04 -1.26 -3.37 113.70 112.39 1n2m s SER 115 Ca 0.23 1.18 -0.08 0.00 0.48 0.00 0.00 55.95 57.76 1n2m s SER 115 Cb -0.03 -1.96 0.24 0.00 0.10 0.00 0.00 66.02 64.38 1n2m s SER 115 CO 0.16 -1.50 1.86 0.50 0.98 0.00 0.00 173.24 175.24 1n2m h LYS 116 N -0.77 0.96 -0.19 4.02 3.64 -1.90 -1.01 116.57 121.32 1n2m h LYS 116 Ca -0.45 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1n2m h LYS 116 Cb 1.26 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 1n2m h LYS 116 CO 0.63 0.63 0.12 -0.22 -2.27 0.00 0.00 179.45 178.34 1n2m h LYS 117 N 0.99 0.24 -0.52 1.90 3.64 -1.96 -0.70 116.57 120.16 1n2m h LYS 117 Ca 0.32 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.61 1n2m h LYS 117 Cb 0.03 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1n2m h LYS 117 CO -0.12 0.16 0.03 1.49 -2.27 0.00 0.00 179.45 178.74 1n2m h GLU 118 N 0.25 0.89 -0.56 1.90 4.57 -1.83 -1.32 114.58 118.47 1n2m h GLU 118 Ca 0.07 -0.27 -0.03 0.00 -1.18 0.00 0.00 59.36 57.95 1n2m h GLU 118 Cb -0.02 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.46 1n2m h GLU 118 CO -0.02 0.90 0.23 0.00 -1.18 0.00 0.00 179.01 178.93 1n2m h ALA 119 N 0.95 0.73 -0.62 2.92 0.00 -1.04 -1.21 119.26 121.00 1n2m h ALA 119 Ca 0.15 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1n2m h ALA 119 Cb 0.48 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1n2m h ALA 119 CO 0.02 0.34 0.01 1.49 0.00 0.00 0.00 179.25 181.11 1n2m h GLU 120 N 0.77 1.09 -0.57 0.00 4.81 -0.97 -0.97 114.58 118.73 1n2m h GLU 120 Ca 0.19 -0.34 -0.03 0.00 -0.13 0.00 0.00 59.36 59.04 1n2m h GLU 120 Cb 0.20 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1n2m h GLU 120 CO -0.02 1.05 0.24 -0.22 -0.73 0.00 0.00 179.01 179.34 1n2m h LYS 121 N 0.99 0.85 -0.14 1.92 3.64 -1.03 -1.30 116.57 121.49 1n2m h LYS 121 Ca 0.18 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1n2m h LYS 121 Cb 0.56 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1n2m h LYS 121 CO 0.03 0.72 0.04 1.15 -2.27 0.00 0.00 179.45 179.12 1n2m h THR 122 N 0.78 1.19 -0.22 1.00 2.02 -0.98 -2.01 112.91 114.70 1n2m h THR 122 Ca 0.19 -0.59 -0.07 0.00 0.77 0.00 0.00 66.41 66.71 1n2m h THR 122 Cb 0.18 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1n2m h THR 122 CO -0.02 0.18 -0.18 1.62 0.37 0.00 0.00 175.52 177.49 1n2m h VAL 123 N 0.04 1.23 -0.35 3.16 3.04 -1.08 -0.32 116.25 121.97 1n2m h VAL 123 Ca 0.04 -1.03 -0.16 0.00 -1.01 0.00 0.00 66.70 64.54 1n2m h VAL 123 Cb 0.24 1.26 -0.01 0.00 -2.01 0.00 0.00 31.29 30.77 1n2m h VAL 123 CO -0.00 0.33 -0.40 0.03 -1.01 0.00 0.00 177.57 176.52 1n2m h ARG 124 N 0.34 0.86 -0.50 4.17 3.08 -1.15 -1.86 114.38 119.32 1n2m h ARG 124 Ca 0.06 -0.45 -0.09 0.00 0.07 0.00 0.00 59.98 59.56 1n2m h ARG 124 Cb 0.51 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 1n2m h ARG 124 CO 0.03 1.10 -0.07 1.49 -1.07 0.00 0.00 179.97 181.45 1n2m h GLU 125 N 0.70 0.88 -0.81 0.04 4.57 -0.96 -1.00 114.58 118.00 1n2m h GLU 125 Ca 0.05 -0.29 -0.02 0.00 -1.18 0.00 0.00 59.36 57.93 1n2m h GLU 125 Cb 0.98 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.45 1n2m h GLU 125 CO 0.09 0.92 0.43 0.52 -1.18 0.00 0.00 179.01 179.79 1n2m h MET 126 N 0.80 1.15 -0.31 1.92 2.86 -0.81 0.20 114.93 120.75 1n2m h MET 126 Ca 0.14 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1n2m h MET 126 Cb 0.57 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1n2m h MET 126 CO 0.03 0.86 0.09 0.00 1.06 0.00 0.00 176.91 178.96 1n2m h ALA 127 N 1.22 0.41 -0.49 6.32 0.00 -1.01 -1.04 119.26 124.67 1n2m h ALA 127 Ca 0.28 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1n2m h ALA 127 Cb 0.07 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1n2m h ALA 127 CO -0.04 0.05 0.24 -0.22 0.00 0.00 0.00 179.25 179.28 1n2m h LYS 128 N 0.35 0.46 -0.88 0.00 3.64 -0.61 -1.81 116.57 117.71 1n2m h LYS 128 Ca 0.10 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1n2m h LYS 128 Cb 0.26 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 1n2m h LYS 128 CO -0.00 0.30 0.51 0.82 -2.27 0.00 0.00 179.45 178.81 1n2m h ILE 129 N 0.47 1.25 -0.96 2.00 2.04 -0.37 -1.73 117.51 120.21 1n2m h ILE 129 Ca 0.22 -0.58 0.06 0.00 1.00 0.00 0.00 64.86 65.56 1n2m h ILE 129 Cb 0.14 0.04 -0.06 0.00 -0.74 0.00 0.00 36.82 36.20 1n2m h ILE 129 CO -0.16 0.27 0.62 1.23 0.00 0.00 0.00 178.15 180.11 1n2m h GLY 130 N 1.21 1.42 1.67 5.37 0.00 -0.35 0.11 103.07 112.52 1n2m h GLY 130 Ca 0.31 -0.46 -0.18 0.00 0.00 0.00 0.00 47.33 47.01 1n2m h GLY 130 CO -0.05 0.35 -0.73 0.74 0.00 0.00 0.00 176.54 176.84 1n2m h PHE 131 N 1.14 0.43 -0.56 5.60 -1.00 -0.97 -2.93 116.94 118.65 1n2m h PHE 131 Ca 0.40 -0.19 -0.10 0.00 2.81 0.00 0.00 57.97 60.89 1n2m h PHE 131 Cb 0.13 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 39.61 1n2m h PHE 131 CO -0.00 0.94 -0.05 0.93 -1.61 0.00 0.00 178.31 178.51 1n2m h GLU 132 N 0.21 1.02 -0.19 1.51 5.08 -0.40 0.35 114.58 122.16 1n2m h GLU 132 Ca -0.03 -0.34 -0.05 0.00 -1.00 0.00 0.00 59.36 57.94 1n2m h GLU 132 Cb 1.30 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1n2m h GLU 132 CO 0.12 1.03 -0.10 0.52 -1.00 0.00 0.00 179.01 179.57 1n2m h MET 133 N 0.92 0.31 0.00 2.33 2.86 -0.79 -2.53 114.93 118.02 1n2m h MET 133 Ca 0.15 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.66 1n2m h MET 133 Cb 0.61 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 1n2m h MET 133 CO 0.04 0.42 -0.96 0.00 1.06 0.00 0.00 176.91 177.47 1n2m h ARG 134 N 0.29 0.00 -1.08 1.72 3.08 -1.27 -3.48 114.38 113.64 1n2m h ARG 134 Ca 0.06 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.00 1n2m h ARG 134 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1n2m h ARG 134 CO 0.02 0.15 -0.15 0.41 -1.07 0.00 0.00 179.97 179.33 1n2m n GLY 135 N 1.25 0.21 3.92 0.04 0.00 0.11 -5.03 105.19 105.68 1n2m n GLY 135 Ca -0.02 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 1n2m n GLY 135 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1n2m s TRP 136 N -2.43 3.50 -0.13 1.61 0.51 -0.63 -5.03 118.94 116.34 1n2m s TRP 136 Ca 0.03 0.30 -0.27 0.00 -2.12 0.00 0.00 56.10 54.04 1n2m s TRP 136 Cb -0.01 -1.81 -0.02 0.00 -0.81 0.00 0.00 33.47 30.82 1n2m s TRP 136 CO 0.03 0.50 0.90 -2.00 -0.51 0.00 0.00 176.95 175.88 1n2m s GLU 137 N -2.83 4.37 -0.17 4.98 2.12 -1.26 -4.66 118.70 121.25 1n2m s GLU 137 Ca 0.37 1.18 -0.24 0.00 0.36 0.00 0.00 54.97 56.64 1n2m s GLU 137 Cb -0.12 -3.55 -0.02 0.00 0.26 0.00 0.00 34.13 30.70 1n2m s GLU 137 CO 0.28 -0.28 0.75 -1.17 -0.54 0.00 0.00 175.26 174.30 1n2m s LEU 138 N 1.94 4.18 -0.10 2.70 2.96 -1.26 -1.69 118.68 127.40 1n2m s LEU 138 Ca 0.43 1.06 -0.01 0.00 -0.22 0.00 0.00 54.13 55.39 1n2m s LEU 138 Cb -0.17 -3.10 -0.00 0.00 0.50 0.00 0.00 46.19 43.41 1n2m s LEU 138 CO 0.16 -0.33 -0.02 -0.78 -1.32 0.00 0.00 176.35 174.06 1n2m h ASP 139 N 7.32 0.00 -5.04 3.68 3.58 -0.97 -3.43 116.42 121.56 1n2m h ASP 139 Ca -0.31 0.00 0.08 0.00 0.42 0.00 0.00 57.03 57.21 1n2m h ASP 139 Cb 1.14 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.12 1n2m h ASP 139 CO 0.81 0.51 0.29 0.00 -2.88 0.00 0.00 179.24 177.97 1n2m s ARG 140 N -1.61 1.53 -0.11 0.28 1.70 -1.06 -4.99 118.95 114.69 1n2m s ARG 140 Ca -0.01 -0.79 0.01 0.00 -0.47 0.00 0.00 55.73 54.47 1n2m s ARG 140 Cb 0.00 0.55 0.02 0.00 -0.57 0.00 0.00 34.95 34.95 1n2m s ARG 140 CO 0.02 -0.69 -0.13 0.42 -1.08 0.00 0.00 175.30 173.84 1n2m s ILE 141 N -3.72 1.35 -0.16 4.99 1.01 -1.26 -0.39 121.20 123.02 1n2m s ILE 141 Ca 0.09 -0.54 -0.06 0.00 0.00 0.00 0.00 60.65 60.14 1n2m s ILE 141 Cb -0.04 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 1n2m s ILE 141 CO 0.01 0.42 0.04 -0.70 0.00 0.00 0.00 174.94 174.71 1n2m s GLU 142 N 1.21 3.78 0.09 2.79 2.56 -0.66 -4.94 118.70 123.52 1n2m s GLU 142 Ca -0.03 -0.37 -0.07 0.00 0.00 0.00 0.00 54.97 54.50 1n2m s GLU 142 Cb -0.14 -3.11 -0.01 0.00 2.00 0.00 0.00 34.13 32.87 1n2m s GLU 142 CO -0.04 0.35 0.15 -1.54 -0.56 0.00 0.00 175.26 173.61 1n2m s SER 143 N 0.14 0.20 0.00 -1.70 1.04 -1.26 -0.29 113.70 111.83 1n2m s SER 143 Ca 0.04 -0.78 -0.06 0.00 0.48 0.00 0.00 55.95 55.63 1n2m s SER 143 Cb -0.13 0.32 -0.00 0.00 0.10 0.00 0.00 66.02 66.31 1n2m s SER 143 CO 0.01 -0.72 0.10 -0.51 0.98 0.00 0.00 173.24 173.10 1n2m s ILE 144 N -3.89 0.08 0.10 -1.02 2.07 -0.63 -5.01 121.20 112.89 1n2m s ILE 144 Ca 0.08 -0.68 -0.10 0.00 -1.41 0.00 0.00 60.65 58.54 1n2m s ILE 144 Cb 0.05 -0.38 0.00 0.00 0.13 0.00 0.00 42.46 42.27 1n2m s ILE 144 CO -0.09 -0.37 0.23 0.00 -1.91 0.00 0.00 174.94 172.80 1n2m s ALA 145 N -1.28 -0.34 -0.08 1.50 0.00 -1.26 -1.38 121.76 118.92 1n2m s ALA 145 Ca -0.14 -0.53 -0.14 0.00 0.00 0.00 0.00 51.96 51.15 1n2m s ALA 145 Cb -0.08 0.54 0.03 0.00 0.00 0.00 0.00 23.12 23.61 1n2m s ALA 145 CO 0.01 -0.54 0.34 0.54 0.00 0.00 0.00 175.76 176.11 1n2m s VAL 146 N -3.86 0.03 0.16 0.00 0.11 -0.31 -4.98 120.40 111.54 1n2m s VAL 146 Ca 0.05 -0.22 0.09 0.00 -2.93 0.00 0.00 61.98 58.97 1n2m s VAL 146 Cb 0.04 -0.56 -0.04 0.00 -1.53 0.00 0.00 36.38 34.29 1n2m s VAL 146 CO -0.11 -0.12 -0.19 -1.83 -3.33 0.00 0.00 175.10 169.52 1n2m s GLU 147 N -0.54 1.26 -0.07 1.54 -1.05 -1.26 -1.66 118.70 116.92 1n2m s GLU 147 Ca -0.06 -1.38 -0.04 0.00 -0.15 0.00 0.00 54.97 53.34 1n2m s GLU 147 Cb -0.04 -1.36 0.04 0.00 -0.44 0.00 0.00 34.13 32.33 1n2m s GLU 147 CO 0.02 0.28 0.17 -1.58 0.95 0.00 0.00 175.26 175.10 1n2m s HIS 148 N -1.91 -0.20 -0.39 4.83 2.46 0.86 -4.90 115.29 116.04 1n2m s HIS 148 Ca 0.15 0.54 -0.15 0.00 0.47 0.00 0.00 55.06 56.06 1n2m s HIS 148 Cb -0.06 -0.04 0.01 0.00 -0.13 0.00 0.00 32.58 32.36 1n2m s HIS 148 CO 0.06 -0.17 0.31 0.99 -2.47 0.00 0.00 174.74 173.47 1n2m s THR 149 N 1.04 5.23 0.19 0.89 2.01 -1.26 -0.26 115.64 123.48 1n2m s THR 149 Ca -0.08 -0.47 -0.32 0.00 0.31 0.00 0.00 61.69 61.14 1n2m s THR 149 Cb -0.10 -3.89 -0.11 0.00 0.01 0.00 0.00 72.50 68.40 1n2m s THR 149 CO -0.06 -0.25 1.69 -0.69 -0.69 0.00 0.00 174.62 174.62 1n2m s VAL 150 N 1.79 2.21 -0.25 3.82 1.01 -0.48 -4.86 120.40 123.63 1n2m s VAL 150 Ca 0.07 0.13 -0.17 0.00 0.00 0.00 0.00 61.98 62.01 1n2m s VAL 150 Cb -0.18 -3.08 -0.15 0.00 0.00 0.00 0.00 36.38 32.97 1n2m s VAL 150 CO 0.11 0.01 -0.14 -0.62 0.00 0.00 0.00 175.10 174.45 1n2m n GLU 151 N 4.08 0.58 0.02 2.72 1.02 -1.26 0.45 120.64 128.25 1n2m n GLU 151 Ca 0.15 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 1n2m n GLU 151 Cb 0.36 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 1n2m n GLU 151 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1n2m n LYS 152 N -4.30 0.00 -3.33 3.49 3.00 -1.26 -4.42 118.16 111.34 1n2m n LYS 152 Ca -0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 57.83 1n2m n LYS 152 Cb 0.82 -0.15 -0.04 0.00 0.00 0.00 0.00 35.03 35.66 1n2m n LYS 152 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1n2m s LEU 153 N -5.54 -1.08 0.22 3.14 0.20 -1.26 -4.27 118.68 110.09 1n2m s LEU 153 Ca 0.00 0.83 0.05 0.00 0.69 0.00 0.00 54.13 55.70 1n2m s LEU 153 Cb 0.00 1.84 -0.05 0.00 -0.43 0.00 0.00 46.19 47.55 1n2m s LEU 153 CO 0.00 -0.26 -0.06 -0.83 -0.29 0.00 0.00 176.35 174.91 1n2m s GLY 154 N 2.76 1.51 -0.02 7.98 0.00 0.43 -0.85 107.32 119.13 1n2m s GLY 154 Ca 0.12 -1.73 0.01 0.00 0.00 0.00 0.00 44.72 43.13 1n2m s GLY 154 CO -0.19 -1.71 -0.03 0.00 0.00 0.00 0.00 173.10 171.17 1n2m s ALA 156 N 0.49 2.88 -0.00 0.00 0.00 -0.24 -1.56 121.76 123.33 1n2m s ALA 156 Ca -0.05 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.04 1n2m s ALA 156 Cb -0.09 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.71 1n2m s ALA 156 CO -0.01 0.36 -0.01 0.12 0.00 0.00 0.00 175.76 176.23 1n2m s PHE 157 N -0.10 0.12 -0.05 0.00 5.36 0.76 -1.57 117.98 122.51 1n2m s PHE 157 Ca 0.00 -0.02 -0.03 0.00 -0.96 0.00 0.00 56.93 55.93 1n2m s PHE 157 Cb -0.13 -0.09 0.02 0.00 -0.34 0.00 0.00 43.02 42.47 1n2m s PHE 157 CO 0.03 -0.01 0.11 0.00 -1.46 0.00 0.00 175.22 173.89 1n2m s ALA 158 N 0.05 -0.23 0.12 11.12 0.00 -0.56 -0.27 121.76 131.99 1n2m s ALA 158 Ca -0.00 0.41 -0.09 0.00 0.00 0.00 0.00 51.96 52.28 1n2m s ALA 158 Cb -0.01 -0.26 -0.00 0.00 0.00 0.00 0.00 23.12 22.84 1n2m s ALA 158 CO -0.00 -0.09 0.24 0.00 0.00 0.00 0.00 175.76 175.91 1n2m s ALA 159 N 0.49 -0.19 -0.31 0.00 0.00 0.95 -0.60 121.76 122.09 1n2m s ALA 159 Ca -0.04 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.27 1n2m s ALA 159 Cb -0.05 0.63 0.09 0.00 0.00 0.00 0.00 23.12 23.79 1n2m s ALA 159 CO -0.02 -0.57 0.03 0.00 0.00 0.00 0.00 175.76 175.21 1n2m s ALA 160 N -3.89 2.50 -0.25 0.00 0.00 0.84 -0.87 121.76 120.08 1n2m s ALA 160 Ca 0.09 -2.16 -0.21 0.00 0.00 0.00 0.00 51.96 49.69 1n2m s ALA 160 Cb 0.04 -1.80 -0.02 0.00 0.00 0.00 0.00 23.12 21.34 1n2m s ALA 160 CO -0.07 -1.58 0.64 0.00 0.00 0.00 0.00 175.76 174.75 1n2m s ALA 161 N 1.11 3.60 0.00 0.00 0.00 0.12 -1.54 121.76 125.06 1n2m s ALA 161 Ca 0.07 -0.40 -0.20 0.00 0.00 0.00 0.00 51.96 51.42 1n2m s ALA 161 Cb -0.19 -3.03 -0.05 0.00 0.00 0.00 0.00 23.12 19.84 1n2m s ALA 161 CO -0.11 -0.78 0.59 -0.51 0.00 0.00 0.00 175.76 174.95 1n2m s LEU 162 N 2.44 4.43 0.00 0.00 1.02 -0.35 -0.45 118.68 125.77 1n2m s LEU 162 Ca 0.27 1.17 0.00 0.00 0.02 0.00 0.00 54.13 55.58 1n2m s LEU 162 Cb -0.16 -2.91 0.00 0.00 0.02 0.00 0.00 46.19 43.14 1n2m s LEU 162 CO 0.09 0.12 0.00 1.87 0.02 0.00 0.00 176.35 178.45 1n2m n TRP 163 N 2.63 -0.19 -4.50 0.29 -0.00 0.01 -4.08 117.44 111.60 1n2m n TRP 163 Ca -0.07 0.00 -0.24 0.00 -0.00 0.00 0.00 57.50 57.19 1n2m n TRP 163 Cb 0.51 0.00 -0.14 0.00 -0.00 0.00 0.00 31.31 31.68 1n2m n TRP 163 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 177.69 178.40 1n2m s TYR 164 N -3.41 1.68 -2.00 5.87 2.02 -1.26 -0.99 117.35 119.26 1n2m s TYR 164 Ca 0.00 -0.38 0.12 0.00 -0.37 0.00 0.00 57.07 56.44 1n2m s TYR 164 Cb 0.00 -0.98 0.73 0.00 -0.40 0.00 0.00 41.96 41.30 1n2m s TYR 164 CO 0.00 0.10 1.16 1.63 -1.57 0.00 0.00 175.55 176.87