#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pam n ASN 3 N 0.00 3.05 -0.12 4.31 2.85 -1.26 -4.75 115.26 119.34 2pam n ASN 3 Ca 0.00 0.00 -0.18 0.00 -0.11 0.00 0.00 54.58 54.29 2pam n ASN 3 Cb 0.00 0.93 -0.11 0.00 1.24 0.00 0.00 39.78 41.84 2pam n ASN 3 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2pam n LYS 4 N -2.13 0.59 -2.50 1.20 4.76 -1.26 -4.89 118.16 113.93 2pam n LYS 4 Ca -0.09 0.15 -0.42 0.00 -2.87 0.00 0.00 58.31 55.09 2pam n LYS 4 Cb 0.58 -1.47 -0.03 0.00 -1.84 0.00 0.00 35.03 32.27 2pam n LYS 4 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2pam s VAL 5 N -2.48 4.12 -0.15 -0.18 1.01 -1.26 0.55 120.40 122.01 2pam s VAL 5 Ca -0.33 1.62 0.02 0.00 0.00 0.00 0.00 61.98 63.29 2pam s VAL 5 Cb 0.09 -4.03 0.01 0.00 0.00 0.00 0.00 36.38 32.45 2pam s VAL 5 CO 0.54 0.18 -0.21 -0.63 0.00 0.00 0.00 175.10 174.97 2pam s ILE 6 N 0.61 2.10 -0.46 2.22 1.01 0.23 -4.15 121.20 122.76 2pam s ILE 6 Ca 0.54 -0.96 -0.14 0.00 0.00 0.00 0.00 60.65 60.10 2pam s ILE 6 Cb -0.28 -1.85 0.08 0.00 0.01 0.00 0.00 42.46 40.42 2pam s ILE 6 CO 0.31 0.54 0.37 0.20 0.00 0.00 0.00 174.94 176.36 2pam s ASN 7 N 0.95 6.03 0.29 3.58 0.01 -1.26 -0.07 114.94 124.47 2pam s ASN 7 Ca -0.04 -1.39 -0.19 0.00 -0.71 0.00 0.00 52.86 50.53 2pam s ASN 7 Cb -0.15 -2.14 -0.09 0.00 0.41 0.00 0.00 41.25 39.28 2pam s ASN 7 CO -0.05 -0.63 0.78 -0.36 -1.51 0.00 0.00 177.10 175.33 2pam s PHE 8 N 1.59 3.52 -0.13 2.20 2.99 -0.01 -5.01 117.98 123.14 2pam s PHE 8 Ca 0.04 1.40 -0.29 0.00 0.00 0.00 0.00 56.93 58.07 2pam s PHE 8 Cb -0.24 -2.65 -0.02 0.00 0.00 0.00 0.00 43.02 40.11 2pam s PHE 8 CO 0.05 0.19 1.29 0.21 -0.00 0.00 0.00 175.22 176.95 2pam s LYS 9 N -2.48 4.26 0.01 0.44 2.20 -1.26 -4.86 119.74 118.04 2pam s LYS 9 Ca 0.50 1.72 0.00 0.00 -0.36 0.00 0.00 55.97 57.83 2pam s LYS 9 Cb -0.14 -3.73 -0.04 0.00 -1.51 0.00 0.00 37.83 32.42 2pam s LYS 9 CO 0.19 -0.66 0.08 0.21 -0.36 0.00 0.00 175.35 174.82 2pam s LYS 10 N 3.21 3.04 -0.09 4.03 2.20 -1.26 -4.44 119.74 126.42 2pam s LYS 10 Ca 0.57 -0.52 0.03 0.00 -0.36 0.00 0.00 55.97 55.69 2pam s LYS 10 Cb -0.24 -2.84 -0.01 0.00 -1.51 0.00 0.00 37.83 33.23 2pam s LYS 10 CO 0.18 0.63 -0.17 0.42 -0.36 0.00 0.00 175.35 176.05 2pam s ILE 11 N -1.22 2.71 -0.04 5.43 -1.09 -0.29 -4.97 121.20 121.73 2pam s ILE 11 Ca 0.24 -0.81 0.03 0.00 -2.23 0.00 0.00 60.65 57.88 2pam s ILE 11 Cb -0.12 -2.08 0.00 0.00 -1.58 0.00 0.00 42.46 38.68 2pam s ILE 11 CO 0.15 0.55 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.66 2pam s ILE 12 N -0.00 1.10 0.29 2.92 1.01 -1.26 -1.66 121.20 123.59 2pam s ILE 12 Ca -0.06 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.09 2pam s ILE 12 Cb -0.15 -0.96 -0.03 0.00 0.01 0.00 0.00 42.46 41.34 2pam s ILE 12 CO 0.05 0.33 0.28 1.51 0.00 0.00 0.00 174.94 177.11 2pam s ASP 13 N 0.18 0.95 0.56 3.58 1.47 -0.81 -5.01 116.67 117.61 2pam s ASP 13 Ca -0.05 -1.54 0.31 0.00 1.18 0.00 0.00 52.55 52.45 2pam s ASP 13 Cb -0.11 0.52 1.46 0.00 -0.34 0.00 0.00 42.92 44.45 2pam s ASP 13 CO 0.02 -1.04 1.84 0.77 0.68 0.00 0.00 175.17 177.43 2pam h SER 14 N 2.29 0.00 0.59 2.11 4.64 -2.05 -1.55 113.55 119.58 2pam h SER 14 Ca -0.29 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.75 2pam h SER 14 Cb 1.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 2pam h SER 14 CO 0.42 0.00 -1.38 0.03 -0.87 0.00 0.00 176.83 175.03 2pam h ARG 15 N 0.00 0.21 0.00 4.77 3.08 -2.01 -3.51 114.38 116.92 2pam h ARG 15 Ca 0.37 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2pam h ARG 15 Cb 1.67 0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.85 2pam h ARG 15 CO -0.00 1.09 0.00 0.41 -1.07 0.00 0.00 179.97 180.40 2pam n GLY 16 N 1.57 -0.26 3.61 0.04 0.00 -0.58 -5.15 105.19 104.42 2pam n GLY 16 Ca -0.12 -1.04 -0.24 0.00 0.00 0.00 0.00 46.02 44.62 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 4.16 -0.26 1.61 0.01 -1.26 -1.92 113.70 112.04 2pam s SER 17 Ca 0.00 -0.92 -0.21 0.00 1.31 0.00 0.00 55.95 56.13 2pam s SER 17 Cb 0.00 -0.56 0.07 0.00 0.21 0.00 0.00 66.02 65.74 2pam s SER 17 CO 0.00 -0.13 0.66 -0.22 0.41 0.00 0.00 173.24 173.96 2pam s LEU 18 N -3.67 -0.65 -0.02 2.44 0.20 -0.66 -4.97 118.68 111.35 2pam s LEU 18 Ca 0.33 1.38 0.03 0.00 0.69 0.00 0.00 54.13 56.55 2pam s LEU 18 Cb -0.02 2.28 0.00 0.00 -0.43 0.00 0.00 46.19 48.02 2pam s LEU 18 CO 0.19 -0.23 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.23 2pam s VAL 19 N 0.75 0.77 -0.06 1.68 1.01 -1.26 -1.14 120.40 122.15 2pam s VAL 19 Ca -0.03 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.62 2pam s VAL 19 Cb -0.05 -0.68 -0.00 0.00 0.00 0.00 0.00 36.38 35.65 2pam s VAL 19 CO -0.05 0.24 -0.19 0.00 0.00 0.00 0.00 175.10 175.10 2pam s ALA 20 N 0.12 1.68 -0.11 5.51 0.00 -1.26 -5.10 121.76 122.60 2pam s ALA 20 Ca -0.02 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.20 2pam s ALA 20 Cb -0.08 -0.59 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 2pam s ALA 20 CO 0.00 0.27 -0.13 0.42 0.00 0.00 0.00 175.76 176.32 2pam s ILE 21 N 0.16 3.07 -0.20 0.00 1.01 -1.26 -4.85 121.20 119.13 2pam s ILE 21 Ca -0.08 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 59.91 2pam s ILE 21 Cb -0.14 -2.27 0.03 0.00 0.01 0.00 0.00 42.46 40.09 2pam s ILE 21 CO 0.04 0.54 -0.17 -1.61 0.00 0.00 0.00 174.94 173.74 2pam s GLU 22 N 0.13 2.71 -0.46 2.79 2.02 -1.26 -4.99 118.70 119.63 2pam s GLU 22 Ca -0.06 -0.95 -0.42 0.00 0.02 0.00 0.00 54.97 53.55 2pam s GLU 22 Cb -0.15 -2.62 -0.18 0.00 0.10 0.00 0.00 34.13 31.28 2pam s GLU 22 CO 0.05 -0.32 1.70 -0.85 0.02 0.00 0.00 175.26 175.86 2pam n GLU 23 N 4.58 0.00 -1.34 1.61 0.28 -1.26 0.26 120.64 124.77 2pam n GLU 23 Ca -0.19 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.70 2pam n GLU 23 Cb 0.48 -1.39 -0.05 0.00 1.43 0.00 0.00 31.44 31.91 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 5.13 -4.31 0.02 -1.84 3.02 0.11 -4.82 115.26 112.57 2pam n ASN 24 Ca 0.38 0.27 -0.00 0.00 -0.03 0.00 0.00 54.58 55.20 2pam n ASN 24 Cb -0.05 -2.80 -0.00 0.00 -0.61 0.00 0.00 39.78 36.32 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 -2.67 0.00 -0.37 3.52 5.02 0.14 -4.78 118.16 119.03 2pam n LYS 25 Ca -0.11 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.26 2pam n LYS 25 Cb 0.37 -0.17 0.24 0.00 -0.02 0.00 0.00 35.03 35.45 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 -2.83 3.71 -3.71 4.39 6.94 -0.81 -4.86 115.26 118.08 2pam n ASN 26 Ca -0.00 -2.35 -0.15 0.00 -0.02 0.00 0.00 54.58 52.06 2pam n ASN 26 Cb 0.00 -0.41 -0.15 0.00 -2.36 0.00 0.00 39.78 36.86 2pam n ASN 26 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 2pam s ILE 27 N -1.65 -0.15 -1.04 1.53 -4.36 -1.26 -4.93 121.20 109.35 2pam s ILE 27 Ca 0.37 0.25 0.00 0.00 -0.26 0.00 0.00 60.65 61.01 2pam s ILE 27 Cb 0.24 -0.28 0.00 0.00 1.25 0.00 0.00 42.46 43.66 2pam s ILE 27 CO 0.18 0.10 0.00 -0.81 0.24 0.00 0.00 174.94 174.65 2pam n PRO 28 N 4.69 0.00 -3.86 0.37 -0.04 -1.26 -0.71 135.00 134.19 2pam n PRO 28 Ca -0.17 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.19 2pam n PRO 28 Cb 0.51 -0.93 0.01 0.00 -0.04 0.00 0.00 33.50 33.05 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 -1.04 0.33 -0.07 0.54 -0.12 -1.26 -4.91 117.98 111.45 2pam s PHE 29 Ca 0.00 -0.93 -0.15 0.00 -0.05 0.00 0.00 56.93 55.80 2pam s PHE 29 Cb 0.00 0.66 -0.05 0.00 -0.63 0.00 0.00 43.02 43.00 2pam s PHE 29 CO 0.00 -1.51 0.37 -1.12 -0.05 0.00 0.00 175.22 172.91 2pam s SER 30 N -3.12 6.66 -0.14 1.98 0.01 -1.26 -1.48 113.70 116.35 2pam s SER 30 Ca 0.19 0.78 -0.24 0.00 1.31 0.00 0.00 55.95 57.99 2pam s SER 30 Cb -0.04 -2.23 -0.03 0.00 0.21 0.00 0.00 66.02 63.94 2pam s SER 30 CO 0.14 0.21 0.74 -0.63 0.41 0.00 0.00 173.24 174.10 2pam s ILE 31 N -0.33 4.97 0.00 1.44 1.01 -1.26 -3.93 121.20 123.10 2pam s ILE 31 Ca 0.22 1.47 0.00 0.00 0.00 0.00 0.00 60.65 62.33 2pam s ILE 31 Cb -0.15 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.26 2pam s ILE 31 CO 0.10 0.13 0.00 0.29 0.00 0.00 0.00 174.94 175.46 2pam n LYS 32 N 4.64 3.00 -4.01 2.79 5.02 0.05 -4.99 118.16 124.65 2pam n LYS 32 Ca 0.01 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.19 2pam n LYS 32 Cb 0.50 -0.97 -0.11 0.00 -0.02 0.00 0.00 35.03 34.43 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 -1.92 0.39 -0.17 1.97 3.52 -0.93 -4.80 118.95 117.02 2pam s ARG 33 Ca 0.00 -0.65 -0.03 0.00 -0.13 0.00 0.00 55.73 54.92 2pam s ARG 33 Cb 0.00 -0.06 0.06 0.00 -1.56 0.00 0.00 34.95 33.38 2pam s ARG 33 CO 0.00 -0.01 0.05 0.08 -0.81 0.00 0.00 175.30 174.61 2pam s VAL 34 N -1.38 0.36 0.22 7.11 1.01 -1.26 -1.03 120.40 125.43 2pam s VAL 34 Ca -0.13 -0.39 0.12 0.00 0.00 0.00 0.00 61.98 61.58 2pam s VAL 34 Cb -0.10 -0.86 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 2pam s VAL 34 CO -0.00 -0.18 -0.22 -0.72 0.00 0.00 0.00 175.10 173.98 2pam s TYR 35 N 1.94 2.31 0.00 5.22 -0.85 -0.74 -4.96 117.35 120.27 2pam s TYR 35 Ca 0.00 -0.35 -0.11 0.00 -0.52 0.00 0.00 57.07 56.10 2pam s TYR 35 Cb -0.16 -1.10 0.01 0.00 0.38 0.00 0.00 41.96 41.09 2pam s TYR 35 CO -0.08 0.57 0.22 1.52 -1.52 0.00 0.00 175.55 176.25 2pam s TYR 36 N -1.93 -0.05 -0.13 -3.49 -0.85 -1.26 0.12 117.35 109.77 2pam s TYR 36 Ca 0.24 0.00 0.00 0.00 -0.52 0.00 0.00 57.07 56.79 2pam s TYR 36 Cb -0.07 0.01 -0.01 0.00 0.38 0.00 0.00 41.96 42.27 2pam s TYR 36 CO 0.12 -0.35 -0.14 0.42 -1.52 0.00 0.00 175.55 174.08 2pam s ILE 37 N -1.55 2.98 0.33 -3.49 1.01 0.18 -4.97 121.20 115.70 2pam s ILE 37 Ca -0.13 -0.69 -0.05 0.00 0.00 0.00 0.00 60.65 59.79 2pam s ILE 37 Cb -0.06 -2.25 0.00 0.00 0.01 0.00 0.00 42.46 40.17 2pam s ILE 37 CO 0.02 0.53 0.48 0.72 0.00 0.00 0.00 174.94 176.68 2pam s PHE 38 N 0.37 0.92 -1.51 3.97 -0.12 -1.26 -1.32 117.98 119.02 2pam s PHE 38 Ca -0.11 -1.19 -0.13 0.00 -0.05 0.00 0.00 56.93 55.45 2pam s PHE 38 Cb -0.16 -0.02 0.08 0.00 -0.63 0.00 0.00 43.02 42.29 2pam s PHE 38 CO 0.06 -1.12 0.98 -0.25 -0.05 0.00 0.00 175.22 174.84 2pam n ASP 39 N -1.21 -4.69 -4.77 1.98 8.00 -1.26 -4.94 116.55 109.66 2pam n ASP 39 Ca 0.00 -0.77 -0.31 0.00 0.71 0.00 0.00 54.79 54.42 2pam n ASP 39 Cb 0.62 -3.96 0.09 0.00 -0.02 0.00 0.00 41.12 37.85 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 -3.33 3.37 -0.03 -3.53 -4.23 -1.26 -5.07 115.64 101.56 2pam s THR 40 Ca 0.62 0.45 -0.30 0.00 -1.18 0.00 0.00 61.69 61.28 2pam s THR 40 Cb -0.31 -2.99 0.11 0.00 1.34 0.00 0.00 72.50 70.65 2pam s THR 40 CO 0.82 -0.58 1.06 -1.59 -0.54 0.00 0.00 174.62 173.79 2pam s LYS 41 N -4.94 0.67 0.00 3.99 -2.85 -1.26 -4.82 119.74 110.52 2pam s LYS 41 Ca 0.61 -0.30 0.00 0.00 -1.00 0.00 0.00 55.97 55.28 2pam s LYS 41 Cb -0.17 0.28 0.00 0.00 -2.06 0.00 0.00 37.83 35.88 2pam s LYS 41 CO 0.56 -0.30 0.00 0.41 0.10 0.00 0.00 175.35 176.12 2pam n GLY 42 N -0.27 0.86 1.11 0.59 0.00 -1.26 -4.83 105.19 101.38 2pam n GLY 42 Ca -0.05 -1.82 0.10 0.00 0.00 0.00 0.00 46.02 44.24 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 0.97 2.73 -3.95 1.61 1.02 -1.26 -4.91 120.64 116.85 2pam n GLU 43 Ca 0.00 -2.43 -0.35 0.00 -0.02 0.00 0.00 57.16 54.35 2pam n GLU 43 Cb 0.00 -1.47 -0.12 0.00 -0.02 0.00 0.00 31.44 29.83 2pam n GLU 43 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2pam s GLU 44 N -1.03 3.66 1.32 3.49 8.01 -1.26 -5.05 118.70 127.83 2pam s GLU 44 Ca 0.40 -0.49 -0.22 0.00 0.01 0.00 0.00 54.97 54.67 2pam s GLU 44 Cb 0.21 -3.18 0.34 0.00 -4.31 0.00 0.00 34.13 27.19 2pam s GLU 44 CO 0.28 -0.04 0.78 -0.35 0.01 0.00 0.00 175.26 175.93 2pam n PRO 45 N 4.44 -4.61 -4.22 0.39 -0.04 -1.26 -5.06 135.00 124.64 2pam n PRO 45 Ca -0.17 -1.30 -0.13 0.00 -0.04 0.00 0.00 63.50 61.86 2pam n PRO 45 Cb 0.52 -1.70 -0.10 0.00 -0.04 0.00 0.00 33.50 32.18 2pam n PRO 45 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2pam s ARG 46 N -4.86 1.03 3.01 0.54 3.52 -0.35 -5.01 118.95 116.83 2pam s ARG 46 Ca 0.60 -1.47 0.00 0.00 -0.13 0.00 0.00 55.73 54.73 2pam s ARG 46 Cb -0.11 -0.32 0.00 0.00 -1.56 0.00 0.00 34.95 32.96 2pam s ARG 46 CO 0.50 -0.06 0.00 0.41 -0.81 0.00 0.00 175.30 175.34 2pam n GLY 47 N -0.18 1.39 3.40 8.12 0.00 -1.26 -0.51 105.19 116.14 2pam n GLY 47 Ca -0.09 -0.84 -0.17 0.00 0.00 0.00 0.00 46.02 44.93 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 3.79 -2.39 -3.86 1.61 3.72 0.37 -4.97 117.46 115.74 2pam n PHE 48 Ca 0.00 0.80 -0.01 0.00 -0.05 0.00 0.00 57.45 58.19 2pam n PHE 48 Cb 0.00 -3.74 0.01 0.00 -0.94 0.00 0.00 39.48 34.81 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 -3.25 -0.03 0.21 4.37 4.22 -1.09 -4.74 114.94 114.62 2pam s ASN 49 Ca 0.28 -0.48 -0.08 0.00 -2.14 0.00 0.00 52.86 50.44 2pam s ASN 49 Cb -0.07 0.39 -0.02 0.00 1.28 0.00 0.00 41.25 42.83 2pam s ASN 49 CO 0.80 -0.76 0.30 0.00 -2.04 0.00 0.00 177.10 175.40 2pam s ALA 50 N -2.32 0.32 0.03 3.54 0.00 0.39 -0.07 121.76 123.66 2pam s ALA 50 Ca 0.21 -1.18 0.05 0.00 0.00 0.00 0.00 51.96 51.05 2pam s ALA 50 Cb -0.01 1.12 -0.02 0.00 0.00 0.00 0.00 23.12 24.21 2pam s ALA 50 CO 0.03 -0.71 -0.16 -0.80 0.00 0.00 0.00 175.76 174.12 2pam s ASN 51 N -3.06 1.87 -0.04 0.00 -0.87 -1.26 -0.49 114.94 111.09 2pam s ASN 51 Ca 0.27 -0.45 -0.21 0.00 -1.57 0.00 0.00 52.86 50.90 2pam s ASN 51 Cb 0.03 -0.14 -0.16 0.00 -0.02 0.00 0.00 41.25 40.96 2pam s ASN 51 CO 0.08 0.08 0.91 0.11 -2.57 0.00 0.00 177.10 175.71 2pam h LYS 52 N 5.03 -0.24 0.00 -0.60 1.57 -0.40 0.76 116.57 122.70 2pam h LYS 52 Ca -0.39 0.02 -0.40 0.00 -1.87 0.00 0.00 60.65 58.01 2pam h LYS 52 Cb 1.17 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 33.48 2pam h LYS 52 CO 0.45 0.17 -2.34 1.63 -0.57 0.00 0.00 179.45 178.78 2pam n LYS 53 N -4.95 0.51 -1.47 3.15 5.02 -1.26 -4.18 118.16 114.97 2pam n LYS 53 Ca -0.08 0.22 -0.47 0.00 -2.02 0.00 0.00 58.31 55.96 2pam n LYS 53 Cb 0.26 -1.36 -0.03 0.00 -0.02 0.00 0.00 35.03 33.88 2pam n LYS 53 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2pam n LEU 54 N -4.01 -0.08 -4.28 -0.35 7.94 -1.26 -4.53 117.00 110.43 2pam n LEU 54 Ca -0.47 1.15 -0.32 0.00 -1.11 0.00 0.00 56.01 55.26 2pam n LEU 54 Cb 0.84 -1.07 -0.16 0.00 0.53 0.00 0.00 43.42 43.56 2pam n LEU 54 CO 0.04 -2.36 -0.56 -1.61 -1.11 0.00 0.00 177.39 171.80 2pam s GLU 55 N -1.14 2.63 0.26 1.96 2.02 -1.26 -3.03 118.70 120.14 2pam s GLU 55 Ca 0.63 -0.89 0.01 0.00 0.02 0.00 0.00 54.97 54.75 2pam s GLU 55 Cb -0.86 -2.20 -0.05 0.00 0.10 0.00 0.00 34.13 31.12 2pam s GLU 55 CO 0.57 0.37 0.11 -0.65 0.02 0.00 0.00 175.26 175.68 2pam s GLN 56 N -0.12 1.40 -0.17 1.61 -0.21 0.11 -2.21 119.66 120.08 2pam s GLN 56 Ca -0.05 -1.76 -0.04 0.00 0.02 0.00 0.00 55.36 53.53 2pam s GLN 56 Cb -0.14 -0.16 0.08 0.00 1.00 0.00 0.00 33.01 33.79 2pam s GLN 56 CO 0.04 -0.33 0.21 0.08 -2.12 0.00 0.00 175.29 173.17 2pam s VAL 57 N -3.80 -0.32 0.01 1.09 1.01 -0.95 -0.74 120.40 116.70 2pam s VAL 57 Ca 0.38 0.05 -0.19 0.00 0.00 0.00 0.00 61.98 62.22 2pam s VAL 57 Cb 0.07 -0.56 -0.06 0.00 0.00 0.00 0.00 36.38 35.84 2pam s VAL 57 CO 0.14 -0.08 0.53 -0.76 0.00 0.00 0.00 175.10 174.93 2pam s LEU 58 N 2.33 4.44 -0.04 3.92 1.02 0.22 -1.32 118.68 129.26 2pam s LEU 58 Ca 0.05 1.11 -0.02 0.00 0.02 0.00 0.00 54.13 55.29 2pam s LEU 58 Cb -0.14 -2.82 0.03 0.00 0.02 0.00 0.00 46.19 43.28 2pam s LEU 58 CO -0.10 0.19 0.05 -0.69 0.02 0.00 0.00 176.35 175.81 2pam s VAL 59 N -0.54 -0.05 -0.78 -1.59 1.01 0.04 -0.03 120.40 118.46 2pam s VAL 59 Ca 0.28 0.37 -0.24 0.00 0.00 0.00 0.00 61.98 62.39 2pam s VAL 59 Cb -0.18 -0.18 0.06 0.00 0.00 0.00 0.00 36.38 36.09 2pam s VAL 59 CO 0.16 0.17 1.18 0.00 0.00 0.00 0.00 175.10 176.61 2pam h LEU 61 N 12.06 0.00 -7.33 0.00 3.38 -1.47 -2.97 115.31 118.99 2pam h LEU 61 Ca -0.14 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 2pam h LEU 61 Cb 1.05 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.59 2pam h LEU 61 CO 1.25 0.36 -0.13 0.21 0.09 0.00 0.00 178.44 180.22 2pam s ASN 62 N -6.44 -0.37 0.66 -0.43 2.47 -1.11 -4.67 114.94 105.06 2pam s ASN 62 Ca -0.00 0.43 0.00 0.00 0.42 0.00 0.00 52.86 53.71 2pam s ASN 62 Cb 0.11 0.51 0.00 0.00 -1.45 0.00 0.00 41.25 40.42 2pam s ASN 62 CO 0.68 -0.43 0.00 0.61 -3.72 0.00 0.00 177.10 174.25 2pam n GLY 63 N 1.51 2.04 3.40 1.21 0.00 -1.26 -1.51 105.19 110.59 2pam n GLY 63 Ca -0.19 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.12 -0.23 1.61 1.04 -1.26 -4.49 113.70 106.26 2pam s SER 64 Ca 0.00 -0.62 -0.20 0.00 0.48 0.00 0.00 55.95 55.61 2pam s SER 64 Cb 0.00 0.49 0.06 0.00 0.10 0.00 0.00 66.02 66.67 2pam s SER 64 CO 0.00 -0.94 0.60 0.00 0.98 0.00 0.00 173.24 173.87 2pam s ARG 66 N 0.39 4.04 -0.08 0.00 3.52 0.39 -0.47 118.95 126.75 2pam s ARG 66 Ca -0.01 -0.30 0.04 0.00 -0.13 0.00 0.00 55.73 55.33 2pam s ARG 66 Cb -0.04 -3.36 0.00 0.00 -1.56 0.00 0.00 34.95 29.99 2pam s ARG 66 CO -0.00 0.20 -0.20 0.08 -0.81 0.00 0.00 175.30 174.57 2pam s VAL 67 N 0.60 1.72 0.12 7.11 1.01 -0.73 0.22 120.40 130.46 2pam s VAL 67 Ca 0.06 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.23 2pam s VAL 67 Cb -0.12 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 2pam s VAL 67 CO 0.01 0.48 0.21 -0.63 0.00 0.00 0.00 175.10 175.17 2pam s ILE 68 N 0.39 5.05 0.01 2.22 1.01 0.57 -2.10 121.20 128.34 2pam s ILE 68 Ca -0.15 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 59.79 2pam s ILE 68 Cb -0.17 -3.55 -0.01 0.00 0.01 0.00 0.00 42.46 38.75 2pam s ILE 68 CO 0.06 -0.02 -0.05 -0.76 0.00 0.00 0.00 174.94 174.17 2pam s LEU 69 N -2.94 2.07 -0.24 2.97 1.43 0.18 -2.08 118.68 120.06 2pam s LEU 69 Ca 0.33 -0.20 -0.05 0.00 -1.03 0.00 0.00 54.13 53.18 2pam s LEU 69 Cb -0.11 -0.23 0.12 0.00 0.03 0.00 0.00 46.19 46.01 2pam s LEU 69 CO 0.26 -0.00 0.48 -0.62 0.23 0.00 0.00 176.35 176.70 2pam s ASP 70 N -0.46 -0.46 -0.14 2.29 3.68 -0.99 0.17 116.67 120.76 2pam s ASP 70 Ca -0.01 0.88 0.13 0.00 2.13 0.00 0.00 52.55 55.68 2pam s ASP 70 Cb -0.04 1.59 0.63 0.00 -1.45 0.00 0.00 42.92 43.65 2pam s ASP 70 CO -0.00 -0.25 1.48 -0.90 0.13 0.00 0.00 175.17 175.63 2pam n ASP 71 N 5.40 4.40 0.00 -0.34 3.85 -1.14 -0.80 116.55 127.93 2pam n ASP 71 Ca -0.07 -2.56 0.00 0.00 -0.71 0.00 0.00 54.79 51.45 2pam n ASP 71 Cb 0.50 -0.59 0.00 0.00 -1.35 0.00 0.00 41.12 39.68 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 0.73 2.83 0.00 6.12 0.00 -1.26 -4.84 105.19 108.77 2pam n GLY 72 Ca 0.22 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 1.87 0.00 -4.93 1.61 5.15 -1.26 -4.93 115.26 112.77 2pam n ASN 73 Ca 0.00 0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 53.73 2pam n ASN 73 Cb 0.00 0.00 0.04 0.00 -0.53 0.00 0.00 39.78 39.29 2pam n ASN 73 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2pam s ILE 74 N 0.00 3.34 -0.06 -1.44 -5.25 -1.26 -5.08 121.20 111.44 2pam s ILE 74 Ca 0.00 -0.22 0.05 0.00 -0.99 0.00 0.00 60.65 59.49 2pam s ILE 74 Cb 0.00 -3.32 -0.02 0.00 2.95 0.00 0.00 42.46 42.07 2pam s ILE 74 CO 0.00 -0.30 -0.19 -0.63 -1.79 0.00 0.00 174.94 172.03 2pam s ILE 75 N -2.93 2.60 0.10 8.37 1.01 -1.26 -2.86 121.20 126.22 2pam s ILE 75 Ca 0.54 -0.88 0.05 0.00 0.00 0.00 0.00 60.65 60.37 2pam s ILE 75 Cb -0.10 -1.99 -0.03 0.00 0.01 0.00 0.00 42.46 40.34 2pam s ILE 75 CO 0.43 0.57 -0.14 -1.10 0.00 0.00 0.00 174.94 174.71 2pam s GLN 76 N -0.39 0.91 -0.01 2.79 -0.21 0.13 -4.95 119.66 117.93 2pam s GLN 76 Ca 0.04 -1.10 0.03 0.00 0.02 0.00 0.00 55.36 54.35 2pam s GLN 76 Cb -0.12 -0.83 -0.00 0.00 1.00 0.00 0.00 33.01 33.05 2pam s GLN 76 CO 0.02 0.17 -0.09 -2.00 -2.12 0.00 0.00 175.29 171.27 2pam s GLU 77 N -2.24 0.79 -0.21 2.91 2.12 -1.26 0.48 118.70 121.29 2pam s GLU 77 Ca 0.03 -0.32 -0.11 0.00 0.36 0.00 0.00 54.97 54.93 2pam s GLU 77 Cb -0.07 -0.76 0.07 0.00 0.26 0.00 0.00 34.13 33.63 2pam s GLU 77 CO 0.02 0.18 0.50 -1.50 -0.54 0.00 0.00 175.26 173.92 2pam s ILE 78 N -0.13 -0.11 -0.44 -3.70 2.07 -0.89 -5.01 121.20 112.99 2pam s ILE 78 Ca 0.02 0.07 -0.19 0.00 -1.41 0.00 0.00 60.65 59.14 2pam s ILE 78 Cb -0.05 -0.74 0.03 0.00 0.13 0.00 0.00 42.46 41.83 2pam s ILE 78 CO -0.00 0.03 0.54 -0.89 -1.91 0.00 0.00 174.94 172.70 2pam s THR 79 N 1.64 4.96 -0.08 4.00 2.01 -1.26 -1.77 115.64 125.14 2pam s THR 79 Ca -0.09 -0.17 -0.28 0.00 0.31 0.00 0.00 61.69 61.46 2pam s THR 79 Cb -0.08 -4.13 -0.02 0.00 0.01 0.00 0.00 72.50 68.28 2pam s THR 79 CO -0.15 -0.53 0.92 -0.76 -0.69 0.00 0.00 174.62 173.41 2pam s LEU 80 N 2.46 4.28 0.00 4.42 1.43 0.38 -4.87 118.68 126.77 2pam s LEU 80 Ca 0.17 1.44 0.00 0.00 -1.03 0.00 0.00 54.13 54.71 2pam s LEU 80 Cb -0.16 -3.42 0.00 0.00 0.03 0.00 0.00 46.19 42.64 2pam s LEU 80 CO 0.16 -0.34 0.49 -0.90 0.23 0.00 0.00 176.35 175.99 2pam n ASP 81 N 4.56 0.00 -3.68 2.29 5.68 -1.26 -1.74 116.55 122.39 2pam n ASP 81 Ca 0.06 -1.23 -0.21 0.00 -0.50 0.00 0.00 54.79 52.90 2pam n ASP 81 Cb 0.50 -0.05 -0.18 0.00 -1.14 0.00 0.00 41.12 40.25 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 -0.23 1.39 0.59 -1.12 0.15 -1.26 -4.87 113.70 108.35 2pam s SER 82 Ca 0.00 -0.05 0.29 0.00 0.70 0.00 0.00 55.95 56.89 2pam s SER 82 Cb 0.00 -0.21 1.43 0.00 -1.71 0.00 0.00 66.02 65.53 2pam s SER 82 CO 0.00 -0.25 1.84 -0.65 1.20 0.00 0.00 173.24 175.37 2pam h PRO 83 N 8.41 0.00 0.00 5.44 0.11 -1.79 0.24 132.00 144.41 2pam h PRO 83 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 2pam h PRO 83 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2pam h PRO 83 CO 0.19 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.98 2pam n ALA 84 N -2.38 2.35 -2.97 -0.75 0.00 -1.26 -4.73 120.51 110.76 2pam n ALA 84 Ca 0.11 -0.14 -0.32 0.00 0.00 0.00 0.00 53.44 53.08 2pam n ALA 84 Cb 0.79 -1.39 -0.15 0.00 0.00 0.00 0.00 19.45 18.70 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 -2.11 2.63 0.13 0.00 1.01 0.84 -0.83 120.40 122.07 2pam s VAL 85 Ca 0.33 -0.83 0.10 0.00 0.00 0.00 0.00 61.98 61.58 2pam s VAL 85 Cb 0.16 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 2pam s VAL 85 CO 0.29 0.55 -0.20 -0.83 0.00 0.00 0.00 175.10 174.91 2pam s GLY 86 N 0.11 1.67 -0.14 4.51 0.00 0.90 -4.30 107.32 110.08 2pam s GLY 86 Ca -0.09 -1.42 0.03 0.00 0.00 0.00 0.00 44.72 43.24 2pam s GLY 86 CO 0.06 -1.41 -0.22 -2.27 0.00 0.00 0.00 173.10 169.26 2pam s LEU 87 N -2.24 2.08 -0.26 0.66 2.96 0.96 0.78 118.68 123.62 2pam s LEU 87 Ca 0.18 -0.59 -0.20 0.00 -0.22 0.00 0.00 54.13 53.29 2pam s LEU 87 Cb -0.10 -1.42 -0.02 0.00 0.50 0.00 0.00 46.19 45.15 2pam s LEU 87 CO 0.10 0.08 0.63 -0.47 -1.32 0.00 0.00 176.35 175.37 2pam s TYR 88 N 0.80 3.28 -0.33 5.38 5.04 0.19 -0.61 117.35 131.09 2pam s TYR 88 Ca -0.08 0.80 -0.02 0.00 -2.44 0.00 0.00 57.07 55.33 2pam s TYR 88 Cb -0.16 -2.86 0.06 0.00 0.35 0.00 0.00 41.96 39.36 2pam s TYR 88 CO -0.01 -0.34 0.06 0.08 -1.34 0.00 0.00 175.55 173.99 2pam s VAL 89 N 2.52 3.11 0.72 3.14 1.01 0.08 -4.78 120.40 126.20 2pam s VAL 89 Ca 0.26 -1.55 -0.06 0.00 0.00 0.00 0.00 61.98 60.64 2pam s VAL 89 Cb -0.15 -2.88 0.09 0.00 0.00 0.00 0.00 36.38 33.43 2pam s VAL 89 CO 0.09 -0.27 1.02 -0.83 0.00 0.00 0.00 175.10 175.11 2pam s GLY 90 N 1.39 1.73 0.64 4.51 0.00 -1.26 0.06 107.32 114.39 2pam s GLY 90 Ca -0.01 -1.15 -0.17 0.00 0.00 0.00 0.00 44.72 43.39 2pam s GLY 90 CO -0.02 -0.68 1.18 2.56 0.00 0.00 0.00 173.10 176.14 2pam s PRO 91 N -5.25 2.71 -1.00 2.90 0.05 -1.17 -2.48 135.00 130.76 2pam s PRO 91 Ca 0.63 1.71 -0.02 0.00 0.05 0.00 0.00 61.00 63.37 2pam s PRO 91 Cb -0.09 -1.91 0.00 0.00 0.05 0.00 0.00 34.50 32.55 2pam s PRO 91 CO 0.45 -1.38 0.20 0.00 0.05 0.00 0.00 177.00 176.32 2pam n ALA 92 N -2.07 -0.49 -3.88 8.56 0.00 0.26 -4.97 120.51 117.92 2pam n ALA 92 Ca 0.13 0.14 -0.27 0.00 0.00 0.00 0.00 53.44 53.44 2pam n ALA 92 Cb 0.50 -2.09 -0.17 0.00 0.00 0.00 0.00 19.45 17.70 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 -2.79 0.98 0.41 0.00 1.01 -1.03 -4.68 120.40 114.30 2pam s VAL 93 Ca 0.10 -0.41 -0.25 0.00 0.00 0.00 0.00 61.98 61.41 2pam s VAL 93 Cb -0.04 -1.10 -0.08 0.00 0.00 0.00 0.00 36.38 35.15 2pam s VAL 93 CO 0.12 0.22 1.27 0.86 0.00 0.00 0.00 175.10 177.58 2pam s TRP 94 N 1.71 2.85 0.03 5.22 -0.11 0.02 -4.31 118.94 124.35 2pam s TRP 94 Ca 0.03 1.45 -0.05 0.00 1.22 0.00 0.00 56.10 58.75 2pam s TRP 94 Cb -0.14 -3.60 -0.01 0.00 -1.50 0.00 0.00 33.47 28.22 2pam s TRP 94 CO -0.08 -1.92 0.08 -3.38 -4.62 0.00 0.00 176.95 167.03 2pam s HIS 95 N -1.31 0.19 -0.08 5.86 -3.43 0.90 -2.34 115.29 115.08 2pam s HIS 95 Ca 0.58 -0.45 -0.07 0.00 -0.80 0.00 0.00 55.06 54.32 2pam s HIS 95 Cb -0.36 -0.14 0.02 0.00 -1.43 0.00 0.00 32.58 30.68 2pam s HIS 95 CO 0.46 -0.32 0.21 -1.21 -2.00 0.00 0.00 174.74 171.88 2pam s GLU 96 N -2.19 0.23 -0.32 -0.38 2.02 -0.88 0.14 118.70 117.32 2pam s GLU 96 Ca -0.09 0.33 -0.03 0.00 0.02 0.00 0.00 54.97 55.21 2pam s GLU 96 Cb -0.04 0.08 0.05 0.00 0.10 0.00 0.00 34.13 34.32 2pam s GLU 96 CO -0.03 -0.05 0.03 -1.64 0.02 0.00 0.00 175.26 173.59 2pam s MET 97 N 0.31 2.42 0.33 1.61 -1.94 0.33 -0.31 119.30 122.05 2pam s MET 97 Ca -0.02 -1.30 0.10 0.00 -1.71 0.00 0.00 55.69 52.76 2pam s MET 97 Cb -0.03 -3.26 -0.06 0.00 2.01 0.00 0.00 34.83 33.49 2pam s MET 97 CO -0.01 -0.67 -0.05 -1.01 -0.01 0.00 0.00 175.02 173.27 2pam s HIS 98 N 1.27 2.48 -1.24 -0.03 3.76 0.59 -1.21 115.29 120.90 2pam s HIS 98 Ca -0.03 -0.44 -0.15 0.00 -0.15 0.00 0.00 55.06 54.29 2pam s HIS 98 Cb -0.20 -1.38 0.00 0.00 1.11 0.00 0.00 32.58 32.11 2pam s HIS 98 CO -0.01 0.55 0.65 -0.25 -0.85 0.00 0.00 174.74 174.83 2pam n ASP 99 N -0.86 -3.41 -4.66 1.40 8.00 -1.26 0.15 116.55 115.91 2pam n ASP 99 Ca -0.05 -1.05 -0.43 0.00 0.71 0.00 0.00 54.79 53.98 2pam n ASP 99 Cb 0.62 -3.07 -0.02 0.00 -0.02 0.00 0.00 41.12 38.62 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 -3.65 2.37 0.61 1.24 0.40 -1.26 -4.15 117.98 113.54 2pam s PHE 100 Ca 0.31 0.55 -0.18 0.00 -0.60 0.00 0.00 56.93 57.00 2pam s PHE 100 Cb -0.12 -3.74 -0.03 0.00 0.51 0.00 0.00 43.02 39.64 2pam s PHE 100 CO 0.88 -2.93 1.23 -1.54 0.70 0.00 0.00 175.22 173.56 2pam s SER 101 N 2.72 5.01 0.49 1.36 1.04 -0.11 -4.82 113.70 119.39 2pam s SER 101 Ca 0.65 2.45 0.33 0.00 0.48 0.00 0.00 55.95 59.86 2pam s SER 101 Cb -0.29 -2.60 1.44 0.00 0.10 0.00 0.00 66.02 64.67 2pam s SER 101 CO 0.23 -1.72 1.73 0.77 0.98 0.00 0.00 173.24 175.24 2pam h SER 102 N 0.76 0.16 -0.57 7.02 4.64 -1.91 0.18 113.55 123.83 2pam h SER 102 Ca -0.50 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2pam h SER 102 Cb 1.31 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 2pam h SER 102 CO 0.54 -0.01 0.00 -0.90 -0.87 0.00 0.00 176.83 175.59 2pam n ASP 103 N -4.36 4.27 -4.76 4.97 3.85 -1.26 -4.51 116.55 114.75 2pam n ASP 103 Ca 0.30 -2.37 -0.41 0.00 -0.71 0.00 0.00 54.79 51.61 2pam n ASP 103 Cb 1.29 -0.51 -0.03 0.00 -1.35 0.00 0.00 41.12 40.52 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 -1.12 1.24 -0.10 0.00 1.01 -0.57 -4.36 120.40 116.50 2pam s VAL 105 Ca 0.47 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 62.06 2pam s VAL 105 Cb -0.36 -1.20 -0.00 0.00 0.00 0.00 0.00 36.38 34.81 2pam s VAL 105 CO 0.48 0.40 -0.23 -0.32 0.00 0.00 0.00 175.10 175.43 2pam s MET 106 N 1.54 3.03 0.11 2.72 1.75 -0.43 -1.13 119.30 126.88 2pam s MET 106 Ca 0.03 -0.86 0.08 0.00 -1.25 0.00 0.00 55.69 53.70 2pam s MET 106 Cb -0.13 -2.33 -0.04 0.00 2.84 0.00 0.00 34.83 35.17 2pam s MET 106 CO -0.08 0.22 -0.15 1.41 -0.65 0.00 0.00 175.02 175.77 2pam s MET 107 N 0.26 1.94 -0.05 4.11 0.00 -0.01 0.52 119.30 126.07 2pam s MET 107 Ca -0.16 -1.10 -0.00 0.00 0.00 0.00 0.00 55.69 54.43 2pam s MET 107 Cb -0.17 -2.20 0.03 0.00 0.00 0.00 0.00 34.83 32.49 2pam s MET 107 CO 0.08 0.49 -0.02 0.08 0.00 0.00 0.00 175.02 175.66 2pam s VAL 108 N -1.16 0.40 -0.23 10.11 1.01 0.32 -0.78 120.40 130.07 2pam s VAL 108 Ca 0.19 0.03 -0.13 0.00 0.00 0.00 0.00 61.98 62.07 2pam s VAL 108 Cb -0.11 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 2pam s VAL 108 CO 0.11 0.23 0.28 -0.76 0.00 0.00 0.00 175.10 174.96 2pam s LEU 109 N 1.43 4.11 0.05 3.92 1.43 -0.43 -1.80 118.68 127.39 2pam s LEU 109 Ca -0.03 0.28 0.07 0.00 -1.03 0.00 0.00 54.13 53.41 2pam s LEU 109 Cb -0.13 -2.31 -0.03 0.00 0.03 0.00 0.00 46.19 43.75 2pam s LEU 109 CO -0.03 -0.03 -0.15 0.00 0.23 0.00 0.00 176.35 176.37 2pam s ALA 110 N 1.35 2.72 -0.14 4.21 0.00 -0.20 -2.23 121.76 127.47 2pam s ALA 110 Ca 0.13 -1.19 0.29 0.00 0.00 0.00 0.00 51.96 51.19 2pam s ALA 110 Cb -0.14 -0.81 0.93 0.00 0.00 0.00 0.00 23.12 23.10 2pam s ALA 110 CO 0.07 0.59 1.82 0.66 0.00 0.00 0.00 175.76 178.90 2pam h SER 111 N 4.31 0.00 -5.34 0.00 4.64 -1.56 0.30 113.55 115.90 2pam h SER 111 Ca -0.48 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.70 2pam h SER 111 Cb 1.16 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.16 2pam h SER 111 CO 0.49 0.00 -0.16 -0.62 -0.87 0.00 0.00 176.83 175.67 2pam s ASP 112 N -5.87 0.26 0.88 4.97 -1.08 -1.26 -4.25 116.67 110.32 2pam s ASP 112 Ca 0.04 -1.16 -0.11 0.00 -0.52 0.00 0.00 52.55 50.80 2pam s ASP 112 Cb 0.07 0.61 0.12 0.00 -1.46 0.00 0.00 42.92 42.26 2pam s ASP 112 CO 0.59 -1.20 1.09 -0.31 0.52 0.00 0.00 175.17 175.86 2pam s TYR 113 N -3.61 2.31 0.48 -5.34 1.51 -1.26 -4.33 117.35 107.10 2pam s TYR 113 Ca 0.26 1.34 -0.24 0.00 -1.01 0.00 0.00 57.07 57.42 2pam s TYR 113 Cb -0.00 -3.14 -0.07 0.00 -0.11 0.00 0.00 41.96 38.63 2pam s TYR 113 CO 0.13 -2.34 1.38 -0.47 -1.11 0.00 0.00 175.55 173.14 2pam s TYR 114 N -2.90 2.46 -0.34 2.71 5.04 -1.26 -4.98 117.35 118.08 2pam s TYR 114 Ca 0.63 1.33 -0.00 0.00 -2.44 0.00 0.00 57.07 56.59 2pam s TYR 114 Cb -0.18 -3.83 0.19 0.00 0.35 0.00 0.00 41.96 38.49 2pam s TYR 114 CO 0.57 -2.77 0.80 0.34 -1.34 0.00 0.00 175.55 173.16 2pam s ASP 115 N -0.71 -1.05 0.64 4.32 2.15 -1.26 -5.03 116.67 115.73 2pam s ASP 115 Ca 0.64 -0.26 0.19 0.00 0.43 0.00 0.00 52.55 53.55 2pam s ASP 115 Cb -0.41 1.46 0.95 0.00 -0.30 0.00 0.00 42.92 44.61 2pam s ASP 115 CO 0.52 -0.15 1.51 -0.33 -0.17 0.00 0.00 175.17 176.55 2pam h GLU 116 N 6.87 0.00 -0.33 4.34 3.07 -2.00 0.99 114.58 127.52 2pam h GLU 116 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2pam h GLU 116 Cb 1.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 2pam h GLU 116 CO 0.03 0.00 0.00 0.25 -1.40 0.00 0.00 179.01 177.89 2pam n THR 117 N -2.95 0.44 0.67 1.13 -2.24 -1.26 -3.57 114.28 106.50 2pam n THR 117 Ca 0.04 -0.40 0.07 0.00 -2.27 0.00 0.00 64.05 61.50 2pam n THR 117 Cb 0.82 0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 69.16 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 0.33 1.21 -4.80 3.42 2.03 0.34 -4.98 116.55 114.11 2pam n ASP 118 Ca 0.10 -1.11 -0.35 0.00 0.52 0.00 0.00 54.79 53.95 2pam n ASP 118 Cb 0.27 0.68 -0.05 0.00 -0.72 0.00 0.00 41.12 41.29 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 -2.02 3.29 -0.36 -0.67 1.51 -1.23 0.39 117.35 118.26 2pam s TYR 119 Ca 0.10 1.64 0.01 0.00 -1.01 0.00 0.00 57.07 57.81 2pam s TYR 119 Cb 0.12 -2.98 0.11 0.00 -0.11 0.00 0.00 41.96 39.10 2pam s TYR 119 CO 0.46 -0.34 0.15 0.42 -1.11 0.00 0.00 175.55 175.13 2pam s ILE 120 N -1.91 1.17 -2.54 2.71 1.01 0.36 -4.87 121.20 117.14 2pam s ILE 120 Ca 0.60 -1.93 0.24 0.00 0.00 0.00 0.00 60.65 59.56 2pam s ILE 120 Cb -0.15 -1.86 0.17 0.00 0.01 0.00 0.00 42.46 40.62 2pam s ILE 120 CO 0.20 -0.76 1.27 0.54 0.00 0.00 0.00 174.94 176.19 2pam n ARG 121 N 4.28 1.78 -4.03 2.79 1.74 -1.26 -0.46 116.66 121.49 2pam n ARG 121 Ca 0.03 -1.42 -0.35 0.00 -0.77 0.00 0.00 57.85 55.34 2pam n ARG 121 Cb 0.39 -1.47 -0.14 0.00 -1.02 0.00 0.00 32.46 30.22 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 -2.20 3.42 0.17 5.56 -0.21 -1.26 -4.80 119.66 120.33 2pam s GLN 122 Ca 0.26 -0.61 -0.17 0.00 0.02 0.00 0.00 55.36 54.85 2pam s GLN 122 Cb 0.19 -2.98 0.09 0.00 1.00 0.00 0.00 33.01 31.32 2pam s GLN 122 CO 0.41 -0.12 1.67 -0.92 -2.12 0.00 0.00 175.29 174.22 2pam h TYR 123 N 7.85 -0.19 -0.07 0.91 3.20 -1.92 0.11 116.97 126.86 2pam h TYR 123 Ca -0.39 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.54 2pam h TYR 123 Cb 1.17 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.56 2pam h TYR 123 CO 0.58 -0.16 -0.09 0.38 -1.64 0.00 0.00 178.16 177.23 2pam h ASP 124 N 0.01 -0.27 -0.78 -2.11 2.03 -1.99 0.49 116.42 113.81 2pam h ASP 124 Ca 0.19 0.05 0.09 0.00 -0.73 0.00 0.00 57.03 56.63 2pam h ASP 124 Cb 0.29 0.13 -0.07 0.00 -0.83 0.00 0.00 39.33 38.85 2pam h ASP 124 CO -0.40 -0.12 0.43 0.78 -1.03 0.00 0.00 179.24 178.90 2pam h ASN 125 N -0.12 0.61 0.18 4.15 2.35 -1.87 0.70 115.58 121.58 2pam h ASN 125 Ca 0.06 0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.87 2pam h ASN 125 Cb 0.20 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.46 2pam h ASN 125 CO -0.14 0.36 -0.51 0.15 -1.65 0.00 0.00 177.43 175.64 2pam h PHE 126 N 0.74 -1.45 -0.36 1.19 3.57 0.39 3.53 116.94 124.55 2pam h PHE 126 Ca 0.37 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.98 2pam h PHE 126 Cb 0.33 0.61 -0.09 0.00 2.79 0.00 0.00 35.95 39.60 2pam h PHE 126 CO -0.07 -0.60 -0.32 0.87 -2.23 0.00 0.00 178.31 175.95 2pam h LYS 127 N -0.78 -0.26 -0.40 1.11 1.79 0.15 0.30 116.57 118.48 2pam h LYS 127 Ca -0.01 0.02 0.07 0.00 -2.18 0.00 0.00 60.65 58.55 2pam h LYS 127 Cb 0.77 0.06 -0.09 0.00 -1.58 0.00 0.00 32.23 31.39 2pam h LYS 127 CO -0.25 -0.18 -0.38 0.87 -1.08 0.00 0.00 179.45 178.44 2pam h LYS 128 N -0.27 -0.29 -0.99 3.15 1.57 0.17 0.26 116.57 120.17 2pam h LYS 128 Ca 0.16 0.02 0.26 0.00 -1.87 0.00 0.00 60.65 59.22 2pam h LYS 128 Cb 0.54 0.07 -0.13 0.00 0.08 0.00 0.00 32.23 32.78 2pam h LYS 128 CO -0.51 -0.19 0.56 -0.92 -0.57 0.00 0.00 179.45 177.82 2pam h TYR 129 N -0.30 0.94 0.82 -1.35 3.20 0.84 -0.82 116.97 120.30 2pam h TYR 129 Ca 0.15 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 62.02 2pam h TYR 129 Cb 0.57 -0.26 0.01 0.00 1.54 0.00 0.00 36.73 38.59 2pam h TYR 129 CO -0.58 -0.01 -0.39 0.82 -1.64 0.00 0.00 178.16 176.36 2pam h ILE 130 N 0.49 0.01 -0.17 1.81 1.08 0.14 -2.64 117.51 118.23 2pam h ILE 130 Ca 0.65 -0.19 0.03 0.00 -0.39 0.00 0.00 64.86 64.96 2pam h ILE 130 Cb 1.31 0.02 -0.06 0.00 -3.07 0.00 0.00 36.82 35.01 2pam h ILE 130 CO -0.52 0.00 -0.53 0.00 -0.69 0.00 0.00 178.15 176.42 2pam h ALA 131 N -1.27 -0.86 -0.66 1.87 0.00 -0.51 0.25 119.26 118.08 2pam h ALA 131 Ca -0.11 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.81 2pam h ALA 131 Cb 0.84 1.02 -0.08 0.00 0.00 0.00 0.00 17.79 19.57 2pam h ALA 131 CO 0.18 -1.06 -0.39 1.17 0.00 0.00 0.00 179.25 179.15 2pam n LYS 132 N -5.30 -0.29 -0.27 0.00 4.81 -0.39 0.12 118.16 116.84 2pam n LYS 132 Ca -0.05 1.10 0.03 0.00 -0.87 0.00 0.00 58.31 58.52 2pam n LYS 132 Cb 0.36 -1.62 0.12 0.00 0.02 0.00 0.00 35.03 33.91 2pam n LYS 132 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2pam h ILE 133 N 0.00 0.25 -0.46 3.15 2.04 -0.27 -0.00 117.51 122.22 2pam h ILE 133 Ca 0.11 -0.01 0.09 0.00 1.00 0.00 0.00 64.86 66.05 2pam h ILE 133 Cb 0.27 0.22 -0.09 0.00 -0.74 0.00 0.00 36.82 36.49 2pam h ILE 133 CO -0.62 0.00 -0.10 0.78 0.00 0.00 0.00 178.15 178.21 2pam h ASN 134 N 0.03 -0.40 -0.72 1.72 2.35 0.38 -0.35 115.58 118.58 2pam h ASN 134 Ca 0.39 0.13 0.15 0.00 -0.55 0.00 0.00 56.30 56.43 2pam h ASN 134 Cb 0.64 0.27 -0.13 0.00 0.05 0.00 0.00 38.32 39.15 2pam h ASN 134 CO -0.76 -0.14 -0.11 -0.07 -1.65 0.00 0.00 177.43 174.69 2pam h LEU 135 N 0.01 -0.54 -0.61 1.61 3.38 -0.27 -3.52 115.31 115.37 2pam h LEU 135 Ca 0.22 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.40 2pam h LEU 135 Cb 0.34 0.40 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2pam h LEU 135 CO -0.46 -0.21 0.00 -0.62 0.09 0.00 0.00 178.44 177.23