#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pam s ASN 3 N 0.00 6.75 0.00 4.31 2.47 -1.26 -4.97 114.94 122.23 2pam s ASN 3 Ca 0.00 1.01 0.00 0.00 0.42 0.00 0.00 52.86 54.29 2pam s ASN 3 Cb 0.00 -2.26 0.00 0.00 -1.45 0.00 0.00 41.25 37.54 2pam s ASN 3 CO 0.00 0.04 0.38 0.29 -3.72 0.00 0.00 177.10 174.09 2pam n LYS 4 N 0.48 -0.23 -2.29 0.43 5.02 -1.26 -5.03 118.16 115.27 2pam n LYS 4 Ca -0.03 -0.38 -0.41 0.00 -2.02 0.00 0.00 58.31 55.47 2pam n LYS 4 Cb 0.52 -0.87 -0.03 0.00 -0.02 0.00 0.00 35.03 34.63 2pam n LYS 4 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2pam s VAL 5 N -0.07 3.33 -0.07 -0.18 1.01 -1.26 0.23 120.40 123.39 2pam s VAL 5 Ca 0.00 1.14 0.05 0.00 0.00 0.00 0.00 61.98 63.17 2pam s VAL 5 Cb 0.00 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 2pam s VAL 5 CO 0.00 0.19 -0.23 -0.63 0.00 0.00 0.00 175.10 174.43 2pam s ILE 6 N -0.14 1.92 -0.28 2.22 1.01 0.55 -4.93 121.20 121.56 2pam s ILE 6 Ca 0.54 -0.97 -0.02 0.00 0.00 0.00 0.00 60.65 60.20 2pam s ILE 6 Cb -0.35 -1.64 0.04 0.00 0.01 0.00 0.00 42.46 40.53 2pam s ILE 6 CO 0.39 0.53 -0.02 0.20 0.00 0.00 0.00 174.94 176.04 2pam s ASN 7 N 0.03 4.68 0.28 3.58 0.01 -1.26 -0.30 114.94 121.95 2pam s ASN 7 Ca -0.08 -1.11 -0.23 0.00 -0.71 0.00 0.00 52.86 50.73 2pam s ASN 7 Cb -0.14 -1.69 -0.09 0.00 0.41 0.00 0.00 41.25 39.73 2pam s ASN 7 CO 0.05 -0.21 0.84 -0.36 -1.51 0.00 0.00 177.10 175.91 2pam s PHE 8 N 1.28 3.64 0.27 2.20 0.40 -0.30 -5.02 117.98 120.45 2pam s PHE 8 Ca -0.03 1.58 -0.30 0.00 -0.60 0.00 0.00 56.93 57.58 2pam s PHE 8 Cb -0.19 -2.77 -0.11 0.00 0.51 0.00 0.00 43.02 40.47 2pam s PHE 8 CO -0.02 0.25 1.49 0.21 0.70 0.00 0.00 175.22 177.85 2pam s LYS 9 N -2.10 4.21 -0.12 0.44 2.20 -1.26 -4.90 119.74 118.22 2pam s LYS 9 Ca 0.48 2.41 0.01 0.00 -0.36 0.00 0.00 55.97 58.50 2pam s LYS 9 Cb -0.17 -3.07 0.02 0.00 -1.51 0.00 0.00 37.83 33.10 2pam s LYS 9 CO 0.22 -0.49 -0.13 -1.59 -0.36 0.00 0.00 175.35 173.00 2pam s LYS 10 N -0.54 2.04 0.39 4.03 -2.85 -1.26 -4.46 119.74 117.09 2pam s LYS 10 Ca 0.60 -0.48 -0.24 0.00 -1.00 0.00 0.00 55.97 54.85 2pam s LYS 10 Cb -0.44 -1.83 -0.09 0.00 -2.06 0.00 0.00 37.83 33.40 2pam s LYS 10 CO 0.46 -0.15 1.03 0.42 0.10 0.00 0.00 175.35 177.22 2pam s ILE 11 N 1.25 3.81 -0.05 3.79 -1.09 -0.37 -4.88 121.20 123.66 2pam s ILE 11 Ca -0.02 1.40 -0.03 0.00 -2.23 0.00 0.00 60.65 59.77 2pam s ILE 11 Cb -0.14 -3.73 0.02 0.00 -1.58 0.00 0.00 42.46 37.03 2pam s ILE 11 CO -0.05 0.02 0.12 -0.63 -1.23 0.00 0.00 174.94 173.17 2pam s ILE 12 N -1.66 -0.02 0.25 2.92 1.01 -1.26 -2.28 121.20 120.17 2pam s ILE 12 Ca 0.56 0.06 -0.07 0.00 0.00 0.00 0.00 60.65 61.21 2pam s ILE 12 Cb -0.21 -0.18 0.03 0.00 0.01 0.00 0.00 42.46 42.10 2pam s ILE 12 CO 0.27 0.02 0.46 -0.90 0.00 0.00 0.00 174.94 174.80 2pam n ASP 13 N 3.41 -1.33 0.29 3.58 5.68 -1.02 -5.01 116.55 122.14 2pam n ASP 13 Ca -0.17 -2.14 0.18 0.00 -0.50 0.00 0.00 54.79 52.17 2pam n ASP 13 Cb 0.57 2.28 0.94 0.00 -1.14 0.00 0.00 41.12 43.76 2pam n ASP 13 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2pam h SER 14 N 1.32 0.00 0.45 -1.12 4.64 -2.05 -2.19 113.55 114.60 2pam h SER 14 Ca -0.21 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.85 2pam h SER 14 Cb 0.82 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.92 2pam h SER 14 CO 0.27 0.00 -1.13 0.03 -0.87 0.00 0.00 176.83 175.13 2pam h ARG 15 N 0.00 0.37 0.00 4.77 3.08 -2.01 -3.50 114.38 117.09 2pam h ARG 15 Ca 0.04 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2pam h ARG 15 Cb 0.44 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2pam h ARG 15 CO -0.00 1.20 0.00 0.41 -1.07 0.00 0.00 179.97 180.51 2pam n GLY 16 N 1.28 0.10 3.35 0.04 0.00 -0.83 -5.13 105.19 104.01 2pam n GLY 16 Ca -0.09 -1.03 -0.22 0.00 0.00 0.00 0.00 46.02 44.69 2pam n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pam s SER 17 N -4.00 2.76 -0.03 1.61 0.01 -1.26 -2.43 113.70 110.35 2pam s SER 17 Ca 0.00 -0.89 -0.03 0.00 1.31 0.00 0.00 55.95 56.34 2pam s SER 17 Cb 0.00 -0.17 0.01 0.00 0.21 0.00 0.00 66.02 66.07 2pam s SER 17 CO 0.00 -0.04 0.08 -0.22 0.41 0.00 0.00 173.24 173.48 2pam s LEU 18 N -2.79 1.69 -0.01 2.44 0.20 -0.97 -4.99 118.68 114.25 2pam s LEU 18 Ca 0.18 0.13 0.02 0.00 0.69 0.00 0.00 54.13 55.14 2pam s LEU 18 Cb -0.05 0.31 0.00 0.00 -0.43 0.00 0.00 46.19 46.02 2pam s LEU 18 CO 0.07 -0.06 -0.06 -0.69 -0.29 0.00 0.00 176.35 175.32 2pam s VAL 19 N -0.08 0.53 -0.09 1.68 1.01 -1.26 -1.23 120.40 120.96 2pam s VAL 19 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.71 2pam s VAL 19 Cb -0.01 -0.47 0.02 0.00 0.00 0.00 0.00 36.38 35.92 2pam s VAL 19 CO 0.00 0.16 -0.07 0.00 0.00 0.00 0.00 175.10 175.20 2pam s ALA 20 N 0.05 1.13 -0.21 5.51 0.00 -1.26 -5.08 121.76 121.89 2pam s ALA 20 Ca -0.00 -0.39 -0.07 0.00 0.00 0.00 0.00 51.96 51.50 2pam s ALA 20 Cb -0.05 -0.74 -0.03 0.00 0.00 0.00 0.00 23.12 22.29 2pam s ALA 20 CO -0.00 -0.25 0.05 0.42 0.00 0.00 0.00 175.76 175.98 2pam s ILE 21 N 1.41 4.45 -0.15 0.00 1.01 -1.26 -4.90 121.20 121.75 2pam s ILE 21 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.50 2pam s ILE 21 Cb -0.13 -3.03 0.02 0.00 0.01 0.00 0.00 42.46 39.33 2pam s ILE 21 CO -0.04 0.41 -0.14 -1.61 0.00 0.00 0.00 174.94 173.55 2pam s GLU 22 N 0.94 2.32 0.23 2.79 2.02 -1.26 -5.04 118.70 120.71 2pam s GLU 22 Ca 0.03 -0.57 -0.27 0.00 0.02 0.00 0.00 54.97 54.18 2pam s GLU 22 Cb -0.14 -2.13 -0.16 0.00 0.10 0.00 0.00 34.13 31.80 2pam s GLU 22 CO 0.03 -0.24 0.57 -0.85 0.02 0.00 0.00 175.26 174.78 2pam n GLU 23 N 4.77 0.21 -0.36 1.61 0.28 -1.26 0.06 120.64 125.95 2pam n GLU 23 Ca -0.17 0.07 0.00 0.00 -0.16 0.00 0.00 57.16 56.90 2pam n GLU 23 Cb 0.50 -1.14 0.00 0.00 1.43 0.00 0.00 31.44 32.23 2pam n GLU 23 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2pam n ASN 24 N 1.89 -1.72 -0.03 -1.84 3.02 -0.08 -4.55 115.26 111.95 2pam n ASN 24 Ca 0.16 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.67 2pam n ASN 24 Cb 0.27 -1.55 -0.01 0.00 -0.61 0.00 0.00 39.78 37.87 2pam n ASN 24 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2pam n LYS 25 N 0.19 0.26 -0.30 3.52 5.02 0.11 -4.71 118.16 122.23 2pam n LYS 25 Ca 0.00 0.10 0.08 0.00 -2.02 0.00 0.00 58.31 56.47 2pam n LYS 25 Cb 0.14 -0.90 0.22 0.00 -0.02 0.00 0.00 35.03 34.48 2pam n LYS 25 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2pam n ASN 26 N -3.69 3.48 -3.67 4.39 0.23 -0.59 -4.83 115.26 110.57 2pam n ASN 26 Ca -0.07 -2.19 -0.14 0.00 -0.53 0.00 0.00 54.58 51.65 2pam n ASN 26 Cb 0.25 -0.36 -0.14 0.00 -2.08 0.00 0.00 39.78 37.45 2pam n ASN 26 CO 0.00 0.00 0.00 0.27 -0.93 0.00 0.00 177.26 176.60 2pam s ILE 27 N -1.35 -0.34 -0.70 1.53 -4.36 -1.24 -4.93 121.20 109.81 2pam s ILE 27 Ca 0.34 0.28 0.00 0.00 -0.26 0.00 0.00 60.65 61.01 2pam s ILE 27 Cb 0.20 -0.40 0.00 0.00 1.25 0.00 0.00 42.46 43.51 2pam s ILE 27 CO 0.19 0.12 0.00 -0.81 0.24 0.00 0.00 174.94 174.68 2pam n PRO 28 N 5.22 0.00 -3.89 0.37 -0.04 -1.26 -1.13 135.00 134.26 2pam n PRO 28 Ca -0.08 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.30 2pam n PRO 28 Cb 0.50 -0.95 -0.02 0.00 -0.04 0.00 0.00 33.50 32.99 2pam n PRO 28 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2pam s PHE 29 N -0.70 0.04 -0.05 0.54 -0.12 -1.26 -4.90 117.98 111.53 2pam s PHE 29 Ca 0.00 -0.50 -0.17 0.00 -0.05 0.00 0.00 56.93 56.21 2pam s PHE 29 Cb 0.00 0.58 -0.05 0.00 -0.63 0.00 0.00 43.02 42.92 2pam s PHE 29 CO 0.00 -1.23 0.47 -1.12 -0.05 0.00 0.00 175.22 173.29 2pam s SER 30 N -2.98 6.78 -0.08 1.98 0.01 -1.26 -0.90 113.70 117.25 2pam s SER 30 Ca 0.15 0.92 -0.22 0.00 1.31 0.00 0.00 55.95 58.11 2pam s SER 30 Cb -0.04 -2.29 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 2pam s SER 30 CO 0.09 0.14 0.64 -0.63 0.41 0.00 0.00 173.24 173.89 2pam s ILE 31 N -0.15 5.08 0.00 1.44 1.01 -1.26 -3.84 121.20 123.49 2pam s ILE 31 Ca 0.26 1.31 0.00 0.00 0.00 0.00 0.00 60.65 62.22 2pam s ILE 31 Cb -0.16 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.33 2pam s ILE 31 CO 0.12 0.27 0.00 0.29 0.00 0.00 0.00 174.94 175.62 2pam n LYS 32 N 3.76 3.09 -3.66 2.79 5.02 -0.45 -5.00 118.16 123.71 2pam n LYS 32 Ca -0.03 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.12 2pam n LYS 32 Cb 0.51 -0.61 -0.08 0.00 -0.02 0.00 0.00 35.03 34.83 2pam n LYS 32 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2pam s ARG 33 N -0.98 0.74 -0.07 1.97 3.52 -0.96 -4.71 118.95 118.46 2pam s ARG 33 Ca 0.00 0.62 0.02 0.00 -0.13 0.00 0.00 55.73 56.24 2pam s ARG 33 Cb 0.00 0.36 0.01 0.00 -1.56 0.00 0.00 34.95 33.76 2pam s ARG 33 CO 0.00 -0.13 -0.12 0.08 -0.81 0.00 0.00 175.30 174.31 2pam s VAL 34 N -0.11 1.17 0.02 7.11 1.01 -1.26 -0.96 120.40 127.38 2pam s VAL 34 Ca -0.03 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 2pam s VAL 34 Cb -0.03 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 2pam s VAL 34 CO 0.03 0.36 -0.01 -0.72 0.00 0.00 0.00 175.10 174.76 2pam s TYR 35 N 0.72 0.29 0.03 5.22 -0.85 -0.18 -5.02 117.35 117.56 2pam s TYR 35 Ca -0.13 -0.60 -0.08 0.00 -0.52 0.00 0.00 57.07 55.74 2pam s TYR 35 Cb -0.16 -0.21 -0.00 0.00 0.38 0.00 0.00 41.96 41.97 2pam s TYR 35 CO 0.03 -0.24 0.15 1.52 -1.52 0.00 0.00 175.55 175.50 2pam s TYR 36 N -1.93 0.10 -0.07 -3.49 -0.85 -1.26 0.06 117.35 109.91 2pam s TYR 36 Ca -0.12 -0.31 0.04 0.00 -0.52 0.00 0.00 57.07 56.16 2pam s TYR 36 Cb -0.06 -0.07 -0.02 0.00 0.38 0.00 0.00 41.96 42.19 2pam s TYR 36 CO -0.03 -0.38 -0.18 0.42 -1.52 0.00 0.00 175.55 173.87 2pam s ILE 37 N -2.29 2.68 0.36 -3.49 1.09 0.42 -4.94 121.20 115.03 2pam s ILE 37 Ca -0.07 -0.84 -0.01 0.00 -1.10 0.00 0.00 60.65 58.62 2pam s ILE 37 Cb -0.03 -2.04 0.01 0.00 -1.06 0.00 0.00 42.46 39.34 2pam s ILE 37 CO -0.03 0.57 0.49 2.22 -0.10 0.00 0.00 174.94 178.09 2pam n PHE 38 N 2.82 -1.45 -4.20 3.97 1.16 -1.26 -0.73 117.46 117.77 2pam n PHE 38 Ca -0.17 -2.44 -0.34 0.00 -1.87 0.00 0.00 57.45 52.63 2pam n PHE 38 Cb 0.52 0.56 -0.04 0.00 -1.61 0.00 0.00 39.48 38.91 2pam n PHE 38 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 2pam n ASP 39 N -1.61 -1.95 -4.78 5.98 8.00 -1.26 -4.88 116.55 116.04 2pam n ASP 39 Ca 0.01 -1.06 -0.36 0.00 0.71 0.00 0.00 54.79 54.09 2pam n ASP 39 Cb 0.61 -2.60 -0.04 0.00 -0.02 0.00 0.00 41.12 39.06 2pam n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2pam s THR 40 N -3.58 3.70 0.28 -3.53 -4.23 -1.26 -5.06 115.64 101.95 2pam s THR 40 Ca 0.48 1.24 -0.11 0.00 -1.18 0.00 0.00 61.69 62.12 2pam s THR 40 Cb -0.27 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 69.97 2pam s THR 40 CO 0.94 -0.05 0.49 -1.59 -0.54 0.00 0.00 174.62 173.87 2pam s LYS 41 N -2.68 1.67 0.03 3.99 -2.85 -1.26 -4.83 119.74 113.81 2pam s LYS 41 Ca 0.60 -1.38 0.00 0.00 -1.00 0.00 0.00 55.97 54.19 2pam s LYS 41 Cb -0.21 0.47 0.00 0.00 -2.06 0.00 0.00 37.83 36.03 2pam s LYS 41 CO 0.26 -0.70 0.00 0.41 0.10 0.00 0.00 175.35 175.42 2pam n GLY 42 N -0.43 -2.24 0.84 0.59 0.00 -1.26 -4.64 105.19 98.05 2pam n GLY 42 Ca -0.01 -1.51 0.03 0.00 0.00 0.00 0.00 46.02 44.52 2pam n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2pam n GLU 43 N -1.24 1.96 -4.09 1.61 -0.58 -1.26 -4.99 120.64 112.05 2pam n GLU 43 Ca 0.00 -3.03 -0.34 0.00 -0.42 0.00 0.00 57.16 53.37 2pam n GLU 43 Cb 0.05 -1.74 -0.10 0.00 -0.57 0.00 0.00 31.44 29.08 2pam n GLU 43 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2pam s GLU 44 N -3.09 3.87 0.00 3.49 2.12 -1.26 -5.06 118.70 118.76 2pam s GLU 44 Ca 0.41 -0.37 0.00 0.00 0.36 0.00 0.00 54.97 55.37 2pam s GLU 44 Cb 0.37 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 31.61 2pam s GLU 44 CO 0.01 0.30 0.00 -0.35 -0.54 0.00 0.00 175.26 174.68 2pam n PRO 45 N 3.43 1.02 -2.82 4.30 -0.04 -1.26 -4.99 135.00 134.63 2pam n PRO 45 Ca -0.17 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.25 2pam n PRO 45 Cb 0.52 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.00 2pam n PRO 45 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2pam n ARG 46 N -0.25 0.57 0.00 0.54 1.85 0.22 -4.99 116.66 114.60 2pam n ARG 46 Ca 0.00 -1.17 0.00 0.00 -1.00 0.00 0.00 57.85 55.68 2pam n ARG 46 Cb 0.00 1.51 0.00 0.00 -1.05 0.00 0.00 32.46 32.92 2pam n ARG 46 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2pam n GLY 47 N -0.39 1.06 3.37 2.89 0.00 -1.26 -0.65 105.19 110.21 2pam n GLY 47 Ca -0.04 -0.91 -0.17 0.00 0.00 0.00 0.00 46.02 44.90 2pam n GLY 47 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2pam n PHE 48 N 0.68 -2.30 -3.74 1.61 3.72 0.16 -4.96 117.46 112.63 2pam n PHE 48 Ca 0.00 0.87 -0.02 0.00 -0.05 0.00 0.00 57.45 58.25 2pam n PHE 48 Cb 0.00 -4.49 -0.01 0.00 -0.94 0.00 0.00 39.48 34.04 2pam n PHE 48 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2pam s ASN 49 N -3.84 -0.11 0.06 4.37 4.22 -1.23 -4.54 114.94 113.87 2pam s ASN 49 Ca 0.25 -0.36 0.01 0.00 -2.14 0.00 0.00 52.86 50.63 2pam s ASN 49 Cb -0.04 0.38 -0.03 0.00 1.28 0.00 0.00 41.25 42.84 2pam s ASN 49 CO 0.75 -0.71 -0.06 0.00 -2.04 0.00 0.00 177.10 175.03 2pam s ALA 50 N -2.83 0.66 -0.05 3.54 0.00 -0.58 -2.15 121.76 120.34 2pam s ALA 50 Ca 0.15 -1.01 0.06 0.00 0.00 0.00 0.00 51.96 51.15 2pam s ALA 50 Cb 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.24 2pam s ALA 50 CO 0.01 -0.16 -0.23 -0.80 0.00 0.00 0.00 175.76 174.58 2pam s ASN 51 N -2.26 3.28 0.33 0.00 0.01 -1.26 -1.64 114.94 113.41 2pam s ASN 51 Ca -0.01 -0.44 0.17 0.00 -0.71 0.00 0.00 52.86 51.87 2pam s ASN 51 Cb -0.02 -0.81 0.37 0.00 0.41 0.00 0.00 41.25 41.20 2pam s ASN 51 CO -0.03 0.27 1.58 0.11 -1.51 0.00 0.00 177.10 177.52 2pam h LYS 52 N 5.90 0.00 0.00 -0.60 1.57 -1.87 1.36 116.57 122.92 2pam h LYS 52 Ca -0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 2pam h LYS 52 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 2pam h LYS 52 CO 0.48 0.43 -0.59 1.63 -0.57 0.00 0.00 179.45 180.83 2pam n LYS 53 N -3.34 2.47 -2.52 3.15 5.02 -1.26 -4.61 118.16 117.07 2pam n LYS 53 Ca 0.01 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.91 2pam n LYS 53 Cb 0.63 -0.79 -0.04 0.00 -0.02 0.00 0.00 35.03 34.80 2pam n LYS 53 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2pam s LEU 54 N -1.86 4.44 -0.15 -0.35 2.96 -1.26 -4.87 118.68 117.59 2pam s LEU 54 Ca 0.00 2.17 0.01 0.00 -0.22 0.00 0.00 54.13 56.09 2pam s LEU 54 Cb 0.00 -3.79 0.01 0.00 0.50 0.00 0.00 46.19 42.90 2pam s LEU 54 CO 0.00 -0.22 -0.20 -1.61 -1.32 0.00 0.00 176.35 173.01 2pam s GLU 55 N -1.74 3.07 0.35 1.98 2.02 -1.26 -3.20 118.70 119.92 2pam s GLU 55 Ca 0.48 -0.82 0.03 0.00 0.02 0.00 0.00 54.97 54.69 2pam s GLU 55 Cb -0.28 -2.52 -0.04 0.00 0.10 0.00 0.00 34.13 31.38 2pam s GLU 55 CO 0.36 -0.05 0.10 -0.65 0.02 0.00 0.00 175.26 175.03 2pam s GLN 56 N 0.94 1.74 -0.06 1.61 -0.21 0.83 -1.43 119.66 123.08 2pam s GLN 56 Ca -0.04 -2.01 -0.02 0.00 0.02 0.00 0.00 55.36 53.31 2pam s GLN 56 Cb -0.15 -0.64 0.04 0.00 1.00 0.00 0.00 33.01 33.26 2pam s GLN 56 CO -0.04 -0.34 0.11 0.08 -2.12 0.00 0.00 175.29 172.98 2pam s VAL 57 N -3.34 -0.13 -0.12 1.09 1.01 -0.65 -1.70 120.40 116.56 2pam s VAL 57 Ca 0.31 0.29 -0.04 0.00 0.00 0.00 0.00 61.98 62.54 2pam s VAL 57 Cb 0.06 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.20 2pam s VAL 57 CO 0.15 0.12 0.04 -0.76 0.00 0.00 0.00 175.10 174.64 2pam s LEU 58 N 1.67 3.74 -0.06 3.92 1.43 0.18 -2.10 118.68 127.46 2pam s LEU 58 Ca -0.03 0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 2pam s LEU 58 Cb -0.12 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.23 2pam s LEU 58 CO -0.05 0.31 -0.07 -0.69 0.23 0.00 0.00 176.35 176.08 2pam s VAL 59 N -0.46 0.77 -0.90 -1.59 1.01 0.29 -2.18 120.40 117.34 2pam s VAL 59 Ca 0.09 -0.24 -0.17 0.00 0.00 0.00 0.00 61.98 61.66 2pam s VAL 59 Cb -0.12 -0.76 0.17 0.00 0.00 0.00 0.00 36.38 35.66 2pam s VAL 59 CO 0.02 0.28 1.00 0.00 0.00 0.00 0.00 175.10 176.40 2pam h LEU 61 N 9.39 0.00 -7.24 0.00 3.38 -1.65 -3.09 115.31 116.10 2pam h LEU 61 Ca 0.14 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 2pam h LEU 61 Cb 1.03 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.58 2pam h LEU 61 CO 0.98 0.00 -0.03 0.21 0.09 0.00 0.00 178.44 179.69 2pam s ASN 62 N -5.49 -0.44 0.93 -0.43 2.47 -1.18 -4.67 114.94 106.14 2pam s ASN 62 Ca -0.01 0.43 0.00 0.00 0.42 0.00 0.00 52.86 53.70 2pam s ASN 62 Cb 0.11 0.45 0.00 0.00 -1.45 0.00 0.00 41.25 40.35 2pam s ASN 62 CO 0.49 -0.52 0.00 0.61 -3.72 0.00 0.00 177.10 173.96 2pam n GLY 63 N 1.12 1.90 3.51 1.21 0.00 -1.26 -2.46 105.19 109.21 2pam n GLY 63 Ca -0.20 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 2pam n GLY 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pam s SER 64 N -4.00 -0.14 -0.12 1.61 1.04 -1.26 -4.45 113.70 106.37 2pam s SER 64 Ca 0.00 -0.69 -0.24 0.00 0.48 0.00 0.00 55.95 55.49 2pam s SER 64 Cb 0.00 0.55 0.06 0.00 0.10 0.00 0.00 66.02 66.73 2pam s SER 64 CO 0.00 -1.05 0.59 0.00 0.98 0.00 0.00 173.24 173.76 2pam s ARG 66 N -0.58 3.43 -0.07 0.00 3.52 0.61 0.95 118.95 126.80 2pam s ARG 66 Ca -0.07 -0.63 -0.01 0.00 -0.13 0.00 0.00 55.73 54.89 2pam s ARG 66 Cb -0.03 -3.33 -0.03 0.00 -1.56 0.00 0.00 34.95 30.00 2pam s ARG 66 CO 0.05 -0.29 0.00 0.08 -0.81 0.00 0.00 175.30 174.34 2pam s VAL 67 N 1.57 4.28 -0.12 7.11 1.01 0.64 -0.29 120.40 134.59 2pam s VAL 67 Ca 0.05 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.73 2pam s VAL 67 Cb -0.16 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.41 2pam s VAL 67 CO 0.03 0.56 -0.18 -0.63 0.00 0.00 0.00 175.10 174.88 2pam s ILE 68 N -0.93 1.72 -0.13 2.22 1.01 -0.46 0.16 121.20 124.78 2pam s ILE 68 Ca 0.15 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 60.03 2pam s ILE 68 Cb -0.11 -1.55 0.02 0.00 0.01 0.00 0.00 42.46 40.83 2pam s ILE 68 CO 0.04 0.48 -0.13 -0.76 0.00 0.00 0.00 174.94 174.57 2pam s LEU 69 N 0.93 1.61 -0.22 2.97 1.43 0.37 -1.30 118.68 124.48 2pam s LEU 69 Ca -0.07 -0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 52.57 2pam s LEU 69 Cb -0.15 -1.10 0.01 0.00 0.03 0.00 0.00 46.19 44.97 2pam s LEU 69 CO -0.02 -0.05 -0.09 -0.62 0.23 0.00 0.00 176.35 175.80 2pam s ASP 70 N 1.41 3.96 0.00 2.29 3.68 0.66 -1.01 116.67 127.66 2pam s ASP 70 Ca 0.02 -0.60 0.25 0.00 2.13 0.00 0.00 52.55 54.35 2pam s ASP 70 Cb -0.13 -1.64 0.52 0.00 -1.45 0.00 0.00 42.92 40.21 2pam s ASP 70 CO -0.08 -0.04 1.44 -0.90 0.13 0.00 0.00 175.17 175.72 2pam n ASP 71 N 4.71 2.48 0.00 -0.34 3.85 -1.07 0.86 116.55 127.04 2pam n ASP 71 Ca -0.19 -1.82 0.00 0.00 -0.71 0.00 0.00 54.79 52.07 2pam n ASP 71 Cb 0.49 -0.03 0.00 0.00 -1.35 0.00 0.00 41.12 40.24 2pam n ASP 71 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2pam n GLY 72 N 1.30 0.70 0.29 6.12 0.00 -1.26 -4.76 105.19 107.57 2pam n GLY 72 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2pam n GLY 72 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2pam n ASN 73 N 0.00 1.98 -3.79 1.61 5.15 -1.26 -5.04 115.26 113.90 2pam n ASN 73 Ca 0.00 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.85 2pam n ASN 73 Cb 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.15 2pam n ASN 73 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2pam s ILE 74 N -1.70 0.03 -0.16 -1.44 1.01 -1.26 -5.14 121.20 112.54 2pam s ILE 74 Ca 0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 60.65 60.35 2pam s ILE 74 Cb 0.00 -0.45 -0.04 0.00 0.01 0.00 0.00 42.46 41.98 2pam s ILE 74 CO 0.00 -0.13 0.09 -0.63 0.00 0.00 0.00 174.94 174.27 2pam s ILE 75 N -0.47 5.03 -0.08 2.92 1.01 -1.26 -2.58 121.20 125.77 2pam s ILE 75 Ca -0.06 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.64 2pam s ILE 75 Cb -0.04 -3.23 0.02 0.00 0.01 0.00 0.00 42.46 39.22 2pam s ILE 75 CO 0.02 0.51 -0.06 -1.10 0.00 0.00 0.00 174.94 174.30 2pam s GLN 76 N -0.12 1.22 -0.20 2.79 -0.21 -0.18 -4.98 119.66 117.99 2pam s GLN 76 Ca 0.08 -0.19 -0.10 0.00 0.02 0.00 0.00 55.36 55.18 2pam s GLN 76 Cb -0.12 -1.25 -0.05 0.00 1.00 0.00 0.00 33.01 32.60 2pam s GLN 76 CO 0.01 -0.16 0.13 -2.00 -2.12 0.00 0.00 175.29 171.15 2pam s GLU 77 N 1.32 4.15 -0.03 2.91 2.12 -1.26 -0.47 118.70 127.45 2pam s GLU 77 Ca -0.03 -0.22 -0.00 0.00 0.36 0.00 0.00 54.97 55.07 2pam s GLU 77 Cb -0.14 -3.41 0.03 0.00 0.26 0.00 0.00 34.13 30.88 2pam s GLU 77 CO -0.03 0.32 0.02 0.42 -0.54 0.00 0.00 175.26 175.45 2pam s ILE 78 N 0.30 0.03 -0.29 -3.70 1.09 0.41 -4.96 121.20 114.09 2pam s ILE 78 Ca 0.08 0.21 -0.19 0.00 -1.10 0.00 0.00 60.65 59.65 2pam s ILE 78 Cb -0.11 -0.17 -0.02 0.00 -1.06 0.00 0.00 42.46 41.10 2pam s ILE 78 CO -0.02 0.13 0.57 -0.89 -0.10 0.00 0.00 174.94 174.63 2pam s THR 79 N 1.28 5.00 -0.34 2.92 2.01 -1.26 -0.26 115.64 124.99 2pam s THR 79 Ca -0.06 0.80 -0.13 0.00 0.31 0.00 0.00 61.69 62.60 2pam s THR 79 Cb -0.13 -3.92 -0.02 0.00 0.01 0.00 0.00 72.50 68.44 2pam s THR 79 CO -0.03 -0.06 0.25 -0.76 -0.69 0.00 0.00 174.62 173.34 2pam s LEU 80 N 2.45 4.51 -0.15 4.42 1.43 0.27 -4.89 118.68 126.72 2pam s LEU 80 Ca 0.23 -0.40 0.23 0.00 -1.03 0.00 0.00 54.13 53.15 2pam s LEU 80 Cb -0.15 -2.15 0.47 0.00 0.03 0.00 0.00 46.19 44.39 2pam s LEU 80 CO 0.11 -0.24 1.14 -0.90 0.23 0.00 0.00 176.35 176.69 2pam n ASP 81 N 5.13 1.49 -3.66 2.29 5.68 -1.26 -1.15 116.55 125.07 2pam n ASP 81 Ca -0.12 -2.15 -0.07 0.00 -0.50 0.00 0.00 54.79 51.95 2pam n ASP 81 Cb 0.50 -0.40 -0.08 0.00 -1.14 0.00 0.00 41.12 39.99 2pam n ASP 81 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2pam s SER 82 N -3.04 -0.62 0.29 -1.12 0.15 -1.25 -4.92 113.70 103.18 2pam s SER 82 Ca 0.31 1.19 0.18 0.00 0.70 0.00 0.00 55.95 58.34 2pam s SER 82 Cb 0.35 1.51 0.98 0.00 -1.71 0.00 0.00 66.02 67.15 2pam s SER 82 CO -0.09 -0.22 1.53 -2.65 1.20 0.00 0.00 173.24 173.01 2pam n PRO 83 N 5.08 0.12 -0.48 5.44 -0.02 -1.17 -2.16 135.00 141.82 2pam n PRO 83 Ca -0.13 0.61 0.07 0.00 -2.02 0.00 0.00 63.50 62.03 2pam n PRO 83 Cb 0.51 -1.94 0.28 0.00 -0.02 0.00 0.00 33.50 32.33 2pam n PRO 83 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pam n ALA 84 N -1.71 2.96 -3.12 3.55 0.00 -1.26 -4.80 120.51 116.13 2pam n ALA 84 Ca -0.01 -1.21 -0.30 0.00 0.00 0.00 0.00 53.44 51.93 2pam n ALA 84 Cb 0.08 -1.02 -0.17 0.00 0.00 0.00 0.00 19.45 18.34 2pam n ALA 84 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2pam s VAL 85 N -1.77 1.81 0.03 0.00 1.01 -0.92 -1.15 120.40 119.41 2pam s VAL 85 Ca 0.39 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.55 2pam s VAL 85 Cb 0.25 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 2pam s VAL 85 CO 0.19 0.50 -0.20 -0.83 0.00 0.00 0.00 175.10 174.77 2pam s GLY 86 N 0.25 1.04 -0.14 4.51 0.00 0.59 -4.41 107.32 109.16 2pam s GLY 86 Ca -0.13 -0.98 -0.02 0.00 0.00 0.00 0.00 44.72 43.59 2pam s GLY 86 CO 0.06 -0.90 -0.08 1.08 0.00 0.00 0.00 173.10 173.26 2pam s LEU 87 N -1.03 3.02 -0.27 0.66 1.43 -0.93 0.21 118.68 121.78 2pam s LEU 87 Ca 0.07 -0.20 -0.14 0.00 -1.03 0.00 0.00 54.13 52.83 2pam s LEU 87 Cb -0.08 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 2pam s LEU 87 CO 0.01 0.19 0.33 -0.47 0.23 0.00 0.00 176.35 176.65 2pam s TYR 88 N 0.23 3.25 -0.49 0.29 5.04 0.14 -0.65 117.35 125.16 2pam s TYR 88 Ca -0.05 0.36 -0.05 0.00 -2.44 0.00 0.00 57.07 54.89 2pam s TYR 88 Cb -0.15 -2.53 0.13 0.00 0.35 0.00 0.00 41.96 39.77 2pam s TYR 88 CO 0.04 -0.20 0.32 0.08 -1.34 0.00 0.00 175.55 174.45 2pam s VAL 89 N 1.95 3.78 0.86 3.14 1.01 -0.69 -4.83 120.40 125.62 2pam s VAL 89 Ca 0.13 -2.17 -0.11 0.00 0.00 0.00 0.00 61.98 59.84 2pam s VAL 89 Cb -0.16 -3.52 0.15 0.00 0.00 0.00 0.00 36.38 32.86 2pam s VAL 89 CO 0.10 -0.77 1.19 -0.83 0.00 0.00 0.00 175.10 174.79 2pam s GLY 90 N 1.90 1.74 0.48 4.51 0.00 -1.26 -0.12 107.32 114.58 2pam s GLY 90 Ca 0.10 -1.22 -0.23 0.00 0.00 0.00 0.00 44.72 43.36 2pam s GLY 90 CO -0.03 -0.58 1.29 2.56 0.00 0.00 0.00 173.10 176.34 2pam s PRO 91 N -5.60 3.56 -1.31 2.90 0.05 -1.19 -2.73 135.00 130.68 2pam s PRO 91 Ca 0.69 2.09 -0.06 0.00 0.05 0.00 0.00 61.00 63.77 2pam s PRO 91 Cb -0.06 -2.45 0.01 0.00 0.05 0.00 0.00 34.50 32.05 2pam s PRO 91 CO 0.49 -0.80 1.09 0.00 0.05 0.00 0.00 177.00 177.83 2pam n ALA 92 N -0.53 -1.59 -3.63 8.56 0.00 0.47 -4.96 120.51 118.83 2pam n ALA 92 Ca 0.07 0.21 -0.25 0.00 0.00 0.00 0.00 53.44 53.47 2pam n ALA 92 Cb 0.45 -4.25 -0.17 0.00 0.00 0.00 0.00 19.45 15.48 2pam n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2pam s VAL 93 N -3.35 1.08 0.16 0.00 1.01 -1.10 -4.72 120.40 113.47 2pam s VAL 93 Ca 0.36 -0.40 -0.19 0.00 0.00 0.00 0.00 61.98 61.76 2pam s VAL 93 Cb -0.16 -1.02 -0.08 0.00 0.00 0.00 0.00 36.38 35.12 2pam s VAL 93 CO 0.74 0.35 0.65 0.86 0.00 0.00 0.00 175.10 177.70 2pam s TRP 94 N 1.04 3.70 0.05 5.22 -0.11 0.25 -4.02 118.94 125.07 2pam s TRP 94 Ca -0.07 1.31 -0.10 0.00 1.22 0.00 0.00 56.10 58.46 2pam s TRP 94 Cb -0.15 -2.55 0.00 0.00 -1.50 0.00 0.00 33.47 29.28 2pam s TRP 94 CO -0.01 0.44 0.20 -3.38 -4.62 0.00 0.00 176.95 169.58 2pam s HIS 95 N -1.37 0.06 -0.13 5.86 -3.43 -0.91 -0.25 115.29 115.12 2pam s HIS 95 Ca 0.38 -0.32 -0.14 0.00 -0.80 0.00 0.00 55.06 54.18 2pam s HIS 95 Cb -0.18 -0.02 0.04 0.00 -1.43 0.00 0.00 32.58 30.99 2pam s HIS 95 CO 0.21 -0.46 0.38 -1.21 -2.00 0.00 0.00 174.74 171.66 2pam s GLU 96 N -2.83 0.49 -0.13 -0.38 2.02 -0.42 0.37 118.70 117.83 2pam s GLU 96 Ca -0.03 0.44 -0.00 0.00 0.02 0.00 0.00 54.97 55.40 2pam s GLU 96 Cb 0.00 0.24 -0.02 0.00 0.10 0.00 0.00 34.13 34.45 2pam s GLU 96 CO -0.05 -0.08 -0.13 -1.64 0.02 0.00 0.00 175.26 173.38 2pam s MET 97 N -0.01 3.34 0.27 1.61 -1.94 0.17 -1.36 119.30 121.38 2pam s MET 97 Ca -0.02 -0.68 0.03 0.00 -1.71 0.00 0.00 55.69 53.31 2pam s MET 97 Cb -0.03 -2.62 -0.04 0.00 2.01 0.00 0.00 34.83 34.15 2pam s MET 97 CO 0.01 0.24 0.19 -1.01 -0.01 0.00 0.00 175.02 174.44 2pam s HIS 98 N 0.29 1.47 -1.55 -0.03 3.76 0.60 -0.61 115.29 119.21 2pam s HIS 98 Ca -0.10 -1.48 -0.09 0.00 -0.15 0.00 0.00 55.06 53.25 2pam s HIS 98 Cb -0.16 -0.68 0.07 0.00 1.11 0.00 0.00 32.58 32.93 2pam s HIS 98 CO 0.05 -0.70 0.57 -0.25 -0.85 0.00 0.00 174.74 173.57 2pam n ASP 99 N -0.86 -1.69 -4.69 1.40 8.00 -1.26 -0.29 116.55 117.16 2pam n ASP 99 Ca 0.04 -1.02 -0.42 0.00 0.71 0.00 0.00 54.79 54.10 2pam n ASP 99 Cb 0.64 -2.85 -0.03 0.00 -0.02 0.00 0.00 41.12 38.86 2pam n ASP 99 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2pam s PHE 100 N -3.67 2.62 1.01 1.24 0.40 -1.26 -4.20 117.98 114.11 2pam s PHE 100 Ca 0.35 0.56 -0.12 0.00 -0.60 0.00 0.00 56.93 57.12 2pam s PHE 100 Cb -0.19 -3.81 0.19 0.00 0.51 0.00 0.00 43.02 39.72 2pam s PHE 100 CO 0.91 -3.16 1.08 -1.54 0.70 0.00 0.00 175.22 173.21 2pam s SER 101 N 2.18 2.46 0.07 1.36 1.04 -0.20 -4.87 113.70 115.73 2pam s SER 101 Ca 0.69 1.46 -0.21 0.00 0.48 0.00 0.00 55.95 58.37 2pam s SER 101 Cb -0.35 -2.14 -0.12 0.00 0.10 0.00 0.00 66.02 63.50 2pam s SER 101 CO 0.29 -3.27 1.54 0.77 0.98 0.00 0.00 173.24 173.55 2pam h SER 102 N -1.99 0.22 0.00 7.02 4.64 -1.91 -2.02 113.55 119.52 2pam h SER 102 Ca -0.54 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 60.53 2pam h SER 102 Cb 1.31 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2pam h SER 102 CO 0.53 0.42 0.00 -0.90 -0.87 0.00 0.00 176.83 176.01 2pam n ASP 103 N -4.81 0.40 -4.72 4.97 3.85 -1.26 -4.40 116.55 110.57 2pam n ASP 103 Ca -0.05 -1.83 -0.42 0.00 -0.71 0.00 0.00 54.79 51.78 2pam n ASP 103 Cb 0.17 -0.20 -0.03 0.00 -1.35 0.00 0.00 41.12 39.71 2pam n ASP 103 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2pam s VAL 105 N 0.81 2.04 -0.09 0.00 1.01 -1.03 -4.35 120.40 118.80 2pam s VAL 105 Ca 0.65 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 61.61 2pam s VAL 105 Cb -0.40 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 2pam s VAL 105 CO 0.34 0.44 -0.13 -0.32 0.00 0.00 0.00 175.10 175.43 2pam s MET 106 N 1.27 2.91 -0.01 2.72 1.75 0.09 -1.71 119.30 126.32 2pam s MET 106 Ca 0.03 -0.68 0.06 0.00 -1.25 0.00 0.00 55.69 53.85 2pam s MET 106 Cb -0.14 -2.51 -0.02 0.00 2.84 0.00 0.00 34.83 35.01 2pam s MET 106 CO -0.12 0.45 -0.20 1.41 -0.65 0.00 0.00 175.02 175.92 2pam s MET 107 N -0.27 1.57 -0.05 4.11 0.00 0.26 -0.43 119.30 124.48 2pam s MET 107 Ca 0.02 -0.73 0.04 0.00 0.00 0.00 0.00 55.69 55.02 2pam s MET 107 Cb -0.13 -1.53 0.00 0.00 0.00 0.00 0.00 34.83 33.17 2pam s MET 107 CO 0.03 0.42 -0.15 0.08 0.00 0.00 0.00 175.02 175.39 2pam s VAL 108 N -0.50 1.31 -0.22 10.11 1.01 0.11 0.11 120.40 132.32 2pam s VAL 108 Ca 0.07 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.38 2pam s VAL 108 Cb -0.08 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 2pam s VAL 108 CO -0.00 0.39 -0.01 -0.76 0.00 0.00 0.00 175.10 174.71 2pam s LEU 109 N 0.24 3.07 0.02 3.92 1.02 -0.89 -1.01 118.68 125.05 2pam s LEU 109 Ca -0.07 -0.31 0.07 0.00 0.02 0.00 0.00 54.13 53.83 2pam s LEU 109 Cb -0.13 -1.79 -0.03 0.00 0.02 0.00 0.00 46.19 44.27 2pam s LEU 109 CO 0.03 -0.00 -0.21 0.00 0.02 0.00 0.00 176.35 176.19 2pam s ALA 110 N 1.37 2.46 -1.17 4.21 0.00 -0.14 -1.63 121.76 126.86 2pam s ALA 110 Ca 0.05 -1.17 0.25 0.00 0.00 0.00 0.00 51.96 51.09 2pam s ALA 110 Cb -0.14 -0.68 1.15 0.00 0.00 0.00 0.00 23.12 23.45 2pam s ALA 110 CO -0.01 0.55 1.82 -1.13 0.00 0.00 0.00 175.76 177.00 2pam n SER 111 N 1.85 0.00 -3.69 0.00 3.41 -0.51 -1.34 113.62 113.34 2pam n SER 111 Ca -0.16 0.27 -0.10 0.00 -0.26 0.00 0.00 58.87 58.61 2pam n SER 111 Cb 0.52 -0.41 -0.05 0.00 -0.26 0.00 0.00 64.21 64.00 2pam n SER 111 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2pam s ASP 112 N -2.83 -0.16 0.83 4.04 -1.08 -1.26 -4.32 116.67 111.89 2pam s ASP 112 Ca 0.17 -0.36 -0.14 0.00 -0.52 0.00 0.00 52.55 51.70 2pam s ASP 112 Cb 0.17 0.44 0.04 0.00 -1.46 0.00 0.00 42.92 42.10 2pam s ASP 112 CO 0.43 -0.81 0.79 -1.22 0.52 0.00 0.00 175.17 174.89 2pam n TYR 113 N -0.11 -0.06 -1.89 -5.34 0.53 -1.26 -4.61 117.16 104.40 2pam n TYR 113 Ca -0.16 0.34 -0.43 0.00 -1.02 0.00 0.00 57.90 56.63 2pam n TYR 113 Cb 0.63 -1.96 -0.03 0.00 -1.03 0.00 0.00 39.34 36.95 2pam n TYR 113 CO 0.00 0.00 0.00 -0.47 -1.02 0.00 0.00 176.86 175.37 2pam s TYR 114 N -2.15 1.66 -0.32 -0.72 5.04 -1.26 -4.97 117.35 114.63 2pam s TYR 114 Ca 0.66 0.52 0.00 0.00 -2.44 0.00 0.00 57.07 55.82 2pam s TYR 114 Cb -0.28 -4.06 0.10 0.00 0.35 0.00 0.00 41.96 38.07 2pam s TYR 114 CO 0.58 -3.42 0.09 0.34 -1.34 0.00 0.00 175.55 171.80 2pam s ASP 115 N 6.23 4.20 0.54 4.32 2.15 -1.26 -5.00 116.67 127.85 2pam s ASP 115 Ca 0.84 -1.79 0.37 0.00 0.43 0.00 0.00 52.55 52.41 2pam s ASP 115 Cb -0.27 -1.05 1.55 0.00 -0.30 0.00 0.00 42.92 42.86 2pam s ASP 115 CO 0.34 -0.40 1.80 -0.33 -0.17 0.00 0.00 175.17 176.41 2pam h GLU 116 N 7.94 0.00 0.00 4.34 5.08 -1.98 0.87 114.58 130.83 2pam h GLU 116 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2pam h GLU 116 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2pam h GLU 116 CO 0.48 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.74 2pam n THR 117 N -4.17 0.70 0.96 1.13 -2.24 -1.26 -2.99 114.28 106.42 2pam n THR 117 Ca 0.26 0.11 0.12 0.00 -2.27 0.00 0.00 64.05 62.27 2pam n THR 117 Cb 1.25 -0.89 0.25 0.00 -2.10 0.00 0.00 70.33 68.85 2pam n THR 117 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2pam n ASP 118 N -1.84 0.50 -4.65 3.42 2.03 0.30 -4.89 116.55 111.41 2pam n ASP 118 Ca 0.04 -0.20 -0.41 0.00 0.52 0.00 0.00 54.79 54.74 2pam n ASP 118 Cb 0.26 0.23 -0.05 0.00 -0.72 0.00 0.00 41.12 40.84 2pam n ASP 118 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2pam s TYR 119 N -3.02 3.35 -0.36 -0.67 1.51 -1.16 -2.50 117.35 114.51 2pam s TYR 119 Ca 0.11 1.11 -0.15 0.00 -1.01 0.00 0.00 57.07 57.13 2pam s TYR 119 Cb 0.17 -2.98 -0.01 0.00 -0.11 0.00 0.00 41.96 39.04 2pam s TYR 119 CO 0.70 -0.30 0.34 0.42 -1.11 0.00 0.00 175.55 175.59 2pam s ILE 120 N 2.44 5.19 -0.19 2.71 1.01 -0.65 -4.97 121.20 126.74 2pam s ILE 120 Ca 0.34 -0.14 0.15 0.00 0.00 0.00 0.00 60.65 61.00 2pam s ILE 120 Cb -0.16 -3.84 0.43 0.00 0.01 0.00 0.00 42.46 38.91 2pam s ILE 120 CO 0.09 -0.14 1.32 0.54 0.00 0.00 0.00 174.94 176.75 2pam n ARG 121 N 5.33 2.01 -3.88 2.79 1.74 -1.26 -1.52 116.66 121.87 2pam n ARG 121 Ca -0.10 -2.88 -0.30 0.00 -0.77 0.00 0.00 57.85 53.81 2pam n ARG 121 Cb 0.49 -1.70 -0.16 0.00 -1.02 0.00 0.00 32.46 30.07 2pam n ARG 121 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2pam s GLN 122 N -2.98 1.30 0.25 5.56 1.11 -1.26 -4.91 119.66 118.72 2pam s GLN 122 Ca 0.39 -0.99 -0.04 0.00 0.01 0.00 0.00 55.36 54.73 2pam s GLN 122 Cb 0.34 -2.47 0.48 0.00 -1.01 0.00 0.00 33.01 30.35 2pam s GLN 122 CO 0.03 -0.70 1.71 -0.92 0.01 0.00 0.00 175.29 175.42 2pam h TYR 123 N 7.99 0.41 -0.57 0.91 3.20 -1.91 0.35 116.97 127.35 2pam h TYR 123 Ca -0.16 0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.80 2pam h TYR 123 Cb 1.07 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 39.22 2pam h TYR 123 CO 0.44 -0.02 0.30 -0.44 -1.64 0.00 0.00 178.16 176.80 2pam h ASP 124 N 0.35 0.43 -0.55 -2.11 5.19 -1.99 0.37 116.42 118.11 2pam h ASP 124 Ca 0.43 0.03 -0.09 0.00 -0.62 0.00 0.00 57.03 56.77 2pam h ASP 124 Cb 0.70 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.14 2pam h ASP 124 CO -0.46 0.29 -0.00 0.78 -3.12 0.00 0.00 179.24 176.72 2pam h ASN 125 N 0.56 0.98 -0.35 6.45 2.35 -1.47 -1.24 115.58 122.87 2pam h ASN 125 Ca 0.25 -0.27 0.02 0.00 -0.55 0.00 0.00 56.30 55.75 2pam h ASN 125 Cb 0.16 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 2pam h ASN 125 CO -0.17 1.04 0.19 0.15 -1.65 0.00 0.00 177.43 176.99 2pam h PHE 126 N 0.92 0.35 -0.86 1.19 3.57 0.11 0.49 116.94 122.71 2pam h PHE 126 Ca 0.17 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.75 2pam h PHE 126 Cb 0.54 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.11 2pam h PHE 126 CO 0.04 0.20 0.53 0.87 -2.23 0.00 0.00 178.31 177.71 2pam h LYS 127 N 0.38 0.92 0.01 1.11 1.79 0.19 -2.50 116.57 118.48 2pam h LYS 127 Ca 0.14 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.56 2pam h LYS 127 Cb 0.03 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.47 2pam h LYS 127 CO -0.08 0.61 -0.01 0.87 -1.08 0.00 0.00 179.45 179.76 2pam h LYS 128 N 0.95 -0.02 -0.84 3.15 1.57 0.02 -2.61 116.57 118.78 2pam h LYS 128 Ca 0.38 0.00 0.21 0.00 -1.87 0.00 0.00 60.65 59.38 2pam h LYS 128 Cb 0.21 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.38 2pam h LYS 128 CO -0.19 0.36 0.09 -0.92 -0.57 0.00 0.00 179.45 178.22 2pam h TYR 129 N -0.39 0.09 0.00 -1.35 3.20 0.15 0.47 116.97 119.14 2pam h TYR 129 Ca -0.00 0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.94 2pam h TYR 129 Cb 0.38 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 2pam h TYR 129 CO 0.05 -0.26 -0.08 0.82 -1.64 0.00 0.00 178.16 177.05 2pam h ILE 130 N 0.12 0.81 0.17 1.81 1.08 -1.36 0.16 117.51 120.30 2pam h ILE 130 Ca 0.50 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.98 2pam h ILE 130 Cb 0.95 0.81 -0.04 0.00 -3.07 0.00 0.00 36.82 35.47 2pam h ILE 130 CO -0.71 0.00 -0.41 0.00 -0.69 0.00 0.00 178.15 176.34 2pam h ALA 131 N 0.85 -0.76 -0.72 1.87 0.00 -0.61 0.65 119.26 120.55 2pam h ALA 131 Ca 0.03 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 54.99 2pam h ALA 131 Cb 0.17 0.68 -0.13 0.00 0.00 0.00 0.00 17.79 18.50 2pam h ALA 131 CO -0.08 -0.99 -0.29 -0.22 0.00 0.00 0.00 179.25 177.68 2pam h LYS 132 N -0.68 -0.07 -1.02 0.00 3.64 -0.81 1.97 116.57 119.60 2pam h LYS 132 Ca 0.01 0.00 0.25 0.00 -1.27 0.00 0.00 60.65 59.65 2pam h LYS 132 Cb 0.68 0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 32.41 2pam h LYS 132 CO -0.21 -0.05 0.63 0.82 -2.27 0.00 0.00 179.45 178.37 2pam h ILE 133 N -0.08 0.54 0.00 2.00 5.03 0.17 0.23 117.51 125.40 2pam h ILE 133 Ca 0.30 -0.18 0.00 0.00 -0.12 0.00 0.00 64.86 64.87 2pam h ILE 133 Cb 0.56 -0.02 0.00 0.00 -3.03 0.00 0.00 36.82 34.33 2pam h ILE 133 CO -0.77 0.09 0.00 0.59 -0.68 0.00 0.00 178.15 177.39 2pam n ASN 134 N -4.77 0.01 0.00 1.72 3.02 0.67 -5.07 115.26 110.83 2pam n ASN 134 Ca 0.26 -0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 2pam n ASN 134 Cb 0.79 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.96 2pam n ASN 134 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82