#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1moy h ILE 17 N 0.00 1.31 -2.47 -0.61 2.04 -1.97 -3.45 117.51 112.35 1moy h ILE 17 Ca 0.00 -2.89 -0.55 0.00 1.00 0.00 0.00 64.86 62.42 1moy h ILE 17 Cb 0.00 2.86 0.05 0.00 -0.74 0.00 0.00 36.82 39.00 1moy h ILE 17 CO 0.00 0.85 0.96 0.41 0.00 0.00 0.00 178.15 180.37 1moy n THR 18 N -3.51 0.09 0.00 -0.27 -1.04 -1.26 -4.72 114.28 103.57 1moy n THR 18 Ca -0.13 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 1moy n THR 18 Cb 1.04 -1.86 0.00 0.00 -1.82 0.00 0.00 70.33 67.69 1moy n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1moy n GLY 19 N 3.85 0.84 3.60 3.41 0.00 -0.07 -4.99 105.19 111.84 1moy n GLY 19 Ca 0.17 -1.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.10 1moy n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1moy s THR 20 N -3.38 3.78 0.02 2.61 2.01 -1.26 -0.74 115.64 118.68 1moy s THR 20 Ca 0.00 -0.51 0.03 0.00 0.31 0.00 0.00 61.69 61.52 1moy s THR 20 Cb 0.00 -2.57 -0.02 0.00 0.01 0.00 0.00 72.50 69.92 1moy s THR 20 CO 0.00 0.55 -0.10 0.26 -0.69 0.00 0.00 174.62 174.65 1moy s TRP 21 N -0.86 0.83 -0.05 4.92 0.52 0.28 -4.64 118.94 119.94 1moy s TRP 21 Ca 0.14 -0.31 0.05 0.00 0.02 0.00 0.00 56.10 55.99 1moy s TRP 21 Cb -0.11 -0.51 -0.00 0.00 -1.15 0.00 0.00 33.47 31.70 1moy s TRP 21 CO 0.03 -0.02 -0.19 0.71 0.02 0.00 0.00 176.95 177.50 1moy s TYR 22 N -0.76 1.93 0.28 -1.98 2.02 -0.25 -0.58 117.35 118.02 1moy s TYR 22 Ca -0.02 -0.59 -0.01 0.00 -0.37 0.00 0.00 57.07 56.09 1moy s TYR 22 Cb -0.07 -1.30 0.06 0.00 -0.40 0.00 0.00 41.96 40.26 1moy s TYR 22 CO 0.00 -0.20 0.38 0.27 -1.57 0.00 0.00 175.55 174.43 1moy n ASN 23 N 3.16 0.43 -1.14 2.29 6.94 -0.91 -0.63 115.26 125.41 1moy n ASN 23 Ca -0.18 -1.39 0.08 0.00 -0.02 0.00 0.00 54.58 53.07 1moy n ASN 23 Cb 0.53 -0.25 0.26 0.00 -2.36 0.00 0.00 39.78 37.95 1moy n ASN 23 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1moy n GLN 24 N -1.72 2.67 -0.13 -3.83 1.13 -1.23 -4.17 117.38 110.09 1moy n GLN 24 Ca 0.06 -2.06 0.06 0.00 -1.94 0.00 0.00 57.00 53.12 1moy n GLN 24 Cb 0.22 -1.59 0.08 0.00 0.11 0.00 0.00 30.24 29.06 1moy n GLN 24 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1moy n LEU 25 N 0.94 1.70 0.00 1.08 4.77 -1.26 -4.98 117.00 119.25 1moy n LEU 25 Ca 0.19 -2.30 0.00 0.00 -0.03 0.00 0.00 56.01 53.87 1moy n LEU 25 Cb 0.58 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1moy n LEU 25 CO 0.15 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 1moy n GLY 26 N -0.90 0.95 3.85 -0.72 0.00 -1.26 -5.02 105.19 102.09 1moy n GLY 26 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 1moy n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1moy s SER 27 N -2.08 5.47 -0.06 1.61 0.01 -1.25 -0.29 113.70 117.11 1moy s SER 27 Ca 0.00 -0.34 -0.15 0.00 1.31 0.00 0.00 55.95 56.76 1moy s SER 27 Cb 0.00 -1.22 0.03 0.00 0.21 0.00 0.00 66.02 65.04 1moy s SER 27 CO 0.00 -0.20 0.36 0.28 0.41 0.00 0.00 173.24 174.09 1moy s THR 28 N -2.21 0.04 0.07 1.44 -1.32 -0.32 -2.14 115.64 111.19 1moy s THR 28 Ca 0.37 -0.29 0.01 0.00 -1.21 0.00 0.00 61.69 60.57 1moy s THR 28 Cb -0.07 -0.61 -0.04 0.00 -1.51 0.00 0.00 72.50 70.27 1moy s THR 28 CO 0.26 -0.16 -0.05 0.72 -2.21 0.00 0.00 174.62 173.18 1moy s PHE 29 N -0.83 0.68 -0.05 9.09 -0.12 0.26 0.11 117.98 127.13 1moy s PHE 29 Ca -0.09 -0.85 0.06 0.00 -0.05 0.00 0.00 56.93 56.00 1moy s PHE 29 Cb -0.04 -0.43 -0.02 0.00 -0.63 0.00 0.00 43.02 41.90 1moy s PHE 29 CO 0.03 -0.21 -0.23 -1.50 -0.05 0.00 0.00 175.22 173.27 1moy s ILE 30 N -3.09 2.29 -0.02 -4.49 2.07 -0.27 -0.56 121.20 117.14 1moy s ILE 30 Ca 0.04 -1.00 -0.05 0.00 -1.41 0.00 0.00 60.65 58.23 1moy s ILE 30 Cb 0.02 -1.84 0.00 0.00 0.13 0.00 0.00 42.46 40.78 1moy s ILE 30 CO -0.05 0.58 0.11 0.54 -1.91 0.00 0.00 174.94 174.21 1moy s VAL 31 N -0.41 0.04 -0.19 4.00 0.11 0.08 -1.58 120.40 122.45 1moy s VAL 31 Ca 0.04 -0.33 -0.04 0.00 -2.93 0.00 0.00 61.98 58.72 1moy s VAL 31 Cb -0.12 -0.27 -0.02 0.00 -1.53 0.00 0.00 36.38 34.44 1moy s VAL 31 CO 0.01 -0.18 -0.02 -0.89 -3.33 0.00 0.00 175.10 170.69 1moy s THR 32 N -0.58 3.76 -0.43 5.04 2.01 0.99 -0.89 115.64 125.54 1moy s THR 32 Ca -0.07 -0.38 -0.16 0.00 0.31 0.00 0.00 61.69 61.39 1moy s THR 32 Cb -0.04 -2.68 0.03 0.00 0.01 0.00 0.00 72.50 69.81 1moy s THR 32 CO 0.01 0.44 0.37 0.00 -0.69 0.00 0.00 174.62 174.75 1moy s ALA 33 N 0.94 3.47 0.61 7.40 0.00 -1.26 -1.84 121.76 131.08 1moy s ALA 33 Ca 0.00 -1.71 -0.07 0.00 0.00 0.00 0.00 51.96 50.18 1moy s ALA 33 Cb -0.14 -2.99 0.01 0.00 0.00 0.00 0.00 23.12 20.00 1moy s ALA 33 CO 0.01 -1.56 0.93 0.20 0.00 0.00 0.00 175.76 175.34 1moy s GLY 34 N 1.89 1.61 0.27 0.00 0.00 -0.01 -4.88 107.32 106.20 1moy s GLY 34 Ca 0.08 -0.62 0.24 0.00 0.00 0.00 0.00 44.72 44.41 1moy s GLY 34 CO 0.11 -0.33 1.71 0.00 0.00 0.00 0.00 173.10 174.59 1moy n ALA 35 N -2.65 1.62 1.42 3.20 0.00 -1.26 -2.00 120.51 120.84 1moy n ALA 35 Ca 0.05 0.09 0.14 0.00 0.00 0.00 0.00 53.44 53.72 1moy n ALA 35 Cb 0.57 -1.39 0.45 0.00 0.00 0.00 0.00 19.45 19.09 1moy n ALA 35 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1moy n ASP 36 N -2.26 1.73 0.00 0.00 5.75 -1.26 -4.90 116.55 115.62 1moy n ASP 36 Ca 0.02 -1.57 0.00 0.00 -0.01 0.00 0.00 54.79 53.23 1moy n ASP 36 Cb 0.22 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 1moy n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1moy n GLY 37 N 1.21 0.57 3.77 6.12 0.00 -0.85 -4.97 105.19 111.03 1moy n GLY 37 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1moy n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1moy s ALA 38 N -2.00 3.25 -0.15 4.61 0.00 -1.25 -1.21 121.76 125.02 1moy s ALA 38 Ca 0.00 0.61 -0.00 0.00 0.00 0.00 0.00 51.96 52.57 1moy s ALA 38 Cb 0.00 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.90 1moy s ALA 38 CO 0.00 0.10 -0.14 -0.51 0.00 0.00 0.00 175.76 175.22 1moy s LEU 39 N -1.83 2.62 0.07 0.00 1.43 0.05 -0.83 118.68 120.19 1moy s LEU 39 Ca 0.48 -0.39 0.06 0.00 -1.03 0.00 0.00 54.13 53.25 1moy s LEU 39 Cb -0.22 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 1moy s LEU 39 CO 0.28 0.12 -0.16 0.42 0.23 0.00 0.00 176.35 177.24 1moy s THR 40 N 0.61 1.30 -2.80 5.49 -4.23 -0.77 -1.18 115.64 114.06 1moy s THR 40 Ca -0.08 -1.32 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 1moy s THR 40 Cb -0.16 -1.21 0.00 0.00 1.34 0.00 0.00 72.50 72.48 1moy s THR 40 CO 0.03 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 1moy n GLY 41 N 1.33 -0.62 2.79 3.99 0.00 -0.68 -0.01 105.19 111.99 1moy n GLY 41 Ca -0.20 -0.58 -0.15 0.00 0.00 0.00 0.00 46.02 45.09 1moy n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1moy s THR 42 N -3.91 -0.02 -0.16 2.61 2.01 -0.62 -1.34 115.64 114.21 1moy s THR 42 Ca 0.00 0.18 -0.05 0.00 0.31 0.00 0.00 61.69 62.13 1moy s THR 42 Cb 0.00 -0.10 -0.03 0.00 0.01 0.00 0.00 72.50 72.38 1moy s THR 42 CO 0.00 0.09 -0.00 -0.47 -0.69 0.00 0.00 174.62 173.55 1moy s TYR 43 N 0.96 3.11 -0.27 4.92 6.14 0.70 -1.11 117.35 131.80 1moy s TYR 43 Ca -0.08 -0.16 -0.00 0.00 0.64 0.00 0.00 57.07 57.47 1moy s TYR 43 Cb -0.12 -2.00 0.04 0.00 0.42 0.00 0.00 41.96 40.30 1moy s TYR 43 CO -0.03 0.04 -0.05 -2.00 0.64 0.00 0.00 175.55 174.15 1moy s GLU 44 N 0.35 2.53 0.36 4.97 2.12 0.12 -0.67 118.70 128.48 1moy s GLU 44 Ca -0.02 -1.18 0.19 0.00 0.36 0.00 0.00 54.97 54.33 1moy s GLU 44 Cb -0.13 -3.02 0.51 0.00 0.26 0.00 0.00 34.13 31.74 1moy s GLU 44 CO 0.02 -0.52 1.65 0.66 -0.54 0.00 0.00 175.26 176.52 1moy h SER 45 N 7.94 0.00 -3.52 -1.70 4.64 -1.21 -0.85 113.55 118.85 1moy h SER 45 Ca -0.25 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.48 1moy h SER 45 Cb 1.07 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.78 1moy h SER 45 CO 0.53 0.36 -0.78 0.00 -0.87 0.00 0.00 176.83 176.07 1moy s ALA 46 N -3.35 1.73 0.07 5.18 0.00 -1.26 -3.92 121.76 120.21 1moy s ALA 46 Ca 0.02 -1.16 -0.36 0.00 0.00 0.00 0.00 51.96 50.46 1moy s ALA 46 Cb 0.09 -1.34 -0.16 0.00 0.00 0.00 0.00 23.12 21.71 1moy s ALA 46 CO 0.69 -1.12 1.44 0.28 0.00 0.00 0.00 175.76 177.04 1moy n VAL 47 N 4.77 0.04 -0.28 0.00 0.31 0.61 -0.55 118.33 123.22 1moy n VAL 47 Ca -0.12 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1moy n VAL 47 Cb 0.45 -1.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 1moy n VAL 47 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1moy n GLY 48 N 2.88 1.47 3.35 2.92 0.00 -1.26 -5.00 105.19 109.56 1moy n GLY 48 Ca 0.19 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.76 1moy n GLY 48 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1moy s ASN 49 N -3.18 6.16 0.45 1.61 3.84 0.29 -4.95 114.94 119.16 1moy s ASN 49 Ca 0.00 -1.52 0.27 0.00 0.21 0.00 0.00 52.86 51.82 1moy s ASN 49 Cb 0.00 -2.19 1.49 0.00 -0.55 0.00 0.00 41.25 40.00 1moy s ASN 49 CO 0.00 -0.73 1.82 0.00 -2.79 0.00 0.00 177.10 175.40 1moy h ALA 50 N 8.80 1.07 -0.01 1.71 0.00 -1.95 -1.38 119.26 127.51 1moy h ALA 50 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1moy h ALA 50 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1moy h ALA 50 CO 0.94 -0.07 -0.42 0.39 0.00 0.00 0.00 179.25 180.09 1moy n GLU 51 N -2.51 1.00 -0.92 0.00 1.02 -1.26 -4.36 120.64 113.60 1moy n GLU 51 Ca -0.02 -0.75 -0.07 0.00 -0.02 0.00 0.00 57.16 56.30 1moy n GLU 51 Cb 0.13 -1.48 0.25 0.00 -0.02 0.00 0.00 31.44 30.32 1moy n GLU 51 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1moy n SER 52 N -0.34 3.97 -4.63 1.62 3.41 -0.52 -4.73 113.62 112.40 1moy n SER 52 Ca 0.10 -3.39 -0.34 0.00 -0.26 0.00 0.00 58.87 54.98 1moy n SER 52 Cb 0.42 -0.71 -0.10 0.00 -0.26 0.00 0.00 64.21 63.56 1moy n SER 52 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1moy s ARG 53 N -3.08 3.86 0.05 4.33 0.52 -1.26 -0.77 118.95 122.60 1moy s ARG 53 Ca 0.51 -0.36 0.02 0.00 -0.52 0.00 0.00 55.73 55.38 1moy s ARG 53 Cb 0.43 -3.15 -0.03 0.00 0.52 0.00 0.00 34.95 32.72 1moy s ARG 53 CO 0.09 0.31 -0.08 0.71 0.02 0.00 0.00 175.30 176.36 1moy s TYR 54 N 0.24 0.74 0.34 -0.53 1.51 0.15 -4.83 117.35 114.98 1moy s TYR 54 Ca 0.03 -0.56 -0.28 0.00 -1.01 0.00 0.00 57.07 55.25 1moy s TYR 54 Cb -0.12 -0.44 -0.10 0.00 -0.11 0.00 0.00 41.96 41.19 1moy s TYR 54 CO 0.01 -0.08 1.27 0.08 -1.11 0.00 0.00 175.55 175.71 1moy s VAL 55 N -1.71 2.85 -0.01 0.71 1.01 -1.26 -0.22 120.40 121.77 1moy s VAL 55 Ca -0.06 0.83 0.08 0.00 0.00 0.00 0.00 61.98 62.82 1moy s VAL 55 Cb -0.08 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 1moy s VAL 55 CO -0.00 0.18 -0.24 -0.22 0.00 0.00 0.00 175.10 174.81 1moy s LEU 56 N -1.89 2.06 -0.04 3.92 0.20 -0.45 -4.33 118.68 118.16 1moy s LEU 56 Ca 0.50 -0.46 -0.08 0.00 0.69 0.00 0.00 54.13 54.79 1moy s LEU 56 Cb -0.38 -1.24 0.01 0.00 -0.43 0.00 0.00 46.19 44.15 1moy s LEU 56 CO 0.50 0.29 0.18 0.28 -0.29 0.00 0.00 176.35 177.31 1moy s THR 57 N -0.60 0.04 0.00 3.68 -1.32 -0.96 -1.69 115.64 114.79 1moy s THR 57 Ca 0.10 -0.32 0.00 0.00 -1.21 0.00 0.00 61.69 60.25 1moy s THR 57 Cb -0.09 -0.37 0.00 0.00 -1.51 0.00 0.00 72.50 70.53 1moy s THR 57 CO -0.01 -0.18 0.00 0.61 -2.21 0.00 0.00 174.62 172.84 1moy n GLY 58 N 2.22 1.98 3.14 6.08 0.00 -0.33 -0.80 105.19 117.48 1moy n GLY 58 Ca -0.17 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.03 1moy n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1moy s ARG 59 N 0.66 0.61 0.08 1.61 1.81 -0.39 -0.77 118.95 122.55 1moy s ARG 59 Ca 0.00 -0.64 -0.05 0.00 -1.72 0.00 0.00 55.73 53.31 1moy s ARG 59 Cb 0.00 0.25 -0.02 0.00 -0.45 0.00 0.00 34.95 34.73 1moy s ARG 59 CO 0.00 -0.16 0.10 1.52 -0.68 0.00 0.00 175.30 176.08 1moy s TYR 60 N -2.37 0.34 -0.45 -0.53 1.13 -0.35 -1.28 117.35 113.85 1moy s TYR 60 Ca -0.07 -0.82 -0.28 0.00 -1.41 0.00 0.00 57.07 54.50 1moy s TYR 60 Cb -0.02 -0.21 -0.00 0.00 -1.10 0.00 0.00 41.96 40.62 1moy s TYR 60 CO -0.03 -0.49 1.62 0.34 -2.51 0.00 0.00 175.55 174.48 1moy s ASP 61 N -2.90 5.96 0.00 -0.18 2.15 -0.03 -4.61 116.67 117.05 1moy s ASP 61 Ca 0.07 0.80 0.13 0.00 0.43 0.00 0.00 52.55 53.97 1moy s ASP 61 Cb 0.06 -2.53 0.44 0.00 -0.30 0.00 0.00 42.92 40.59 1moy s ASP 61 CO -0.09 -1.75 1.33 -1.54 -0.17 0.00 0.00 175.17 172.95 1moy n SER 62 N 10.16 1.44 -3.11 -0.34 3.41 -1.26 -4.00 113.62 119.92 1moy n SER 62 Ca 0.19 -1.88 -0.21 0.00 -0.26 0.00 0.00 58.87 56.71 1moy n SER 62 Cb 0.49 -0.15 -0.05 0.00 -0.26 0.00 0.00 64.21 64.24 1moy n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1moy n ALA 63 N 0.24 1.62 1.08 7.33 0.00 -1.26 -5.03 120.51 124.49 1moy n ALA 63 Ca 0.11 -2.94 0.10 0.00 0.00 0.00 0.00 53.44 50.71 1moy n ALA 63 Cb 0.25 -0.92 0.54 0.00 0.00 0.00 0.00 19.45 19.32 1moy n ALA 63 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1moy n PRO 64 N 1.57 0.43 -2.27 0.00 -0.04 -1.26 -4.87 135.00 128.56 1moy n PRO 64 Ca 0.19 0.06 -0.40 0.00 -0.04 0.00 0.00 63.50 63.31 1moy n PRO 64 Cb 0.55 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.48 1moy n PRO 64 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1moy s GLY 64 N -2.33 3.00 0.08 0.55 0.00 -1.26 -4.86 107.32 102.51 1moy s GLY 64 Ca 0.24 1.09 -0.01 0.00 0.00 0.00 0.00 44.72 46.04 1moy s GLY 64 CO 0.27 1.70 0.00 0.50 0.00 0.00 0.00 173.10 175.58 1moy s ARG 65 N -1.76 0.73 0.00 2.90 0.52 -1.26 -5.03 118.95 115.06 1moy s ARG 65 Ca 0.49 -1.31 0.12 0.00 -0.52 0.00 0.00 55.73 54.51 1moy s ARG 65 Cb -0.36 0.21 0.27 0.00 0.52 0.00 0.00 34.95 35.60 1moy s ARG 65 CO 0.47 -0.17 1.16 0.41 0.02 0.00 0.00 175.30 177.19 1moy n GLY 66 N 0.03 1.80 2.00 -3.53 0.00 -1.26 -5.00 105.19 99.23 1moy n GLY 66 Ca -0.11 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 1moy n GLY 66 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1moy n ASP 67 N 0.67 2.97 -1.56 1.61 5.75 -1.26 -5.28 116.55 119.44 1moy n ASP 67 Ca 0.11 -3.04 0.00 0.00 -0.01 0.00 0.00 54.79 51.85 1moy n ASP 67 Cb 0.41 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1moy n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1moy n GLY 68 N -0.60 0.00 3.84 6.12 0.00 -1.26 -5.21 105.19 108.08 1moy n GLY 68 Ca 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 1moy n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1moy s SER 69 N 0.73 6.78 1.10 1.61 0.01 -1.26 -5.06 113.70 117.61 1moy s SER 69 Ca 0.00 1.51 -0.12 0.00 1.31 0.00 0.00 55.95 58.64 1moy s SER 69 Cb 0.00 -2.47 0.25 0.00 0.21 0.00 0.00 66.02 64.01 1moy s SER 69 CO 0.00 -0.39 1.05 -0.83 0.41 0.00 0.00 173.24 173.49 1moy s GLY 70 N -2.53 1.56 -0.33 3.44 0.00 -1.26 -4.99 107.32 103.21 1moy s GLY 70 Ca 0.58 -0.15 -0.10 0.00 0.00 0.00 0.00 44.72 45.06 1moy s GLY 70 CO 0.21 0.52 0.16 -1.59 0.00 0.00 0.00 173.10 172.39 1moy s THR 71 N -2.62 4.50 0.44 0.90 2.01 0.21 -4.90 115.64 116.19 1moy s THR 71 Ca 0.67 -0.60 -0.24 0.00 0.31 0.00 0.00 61.69 61.83 1moy s THR 71 Cb -0.23 -3.37 -0.08 0.00 0.01 0.00 0.00 72.50 68.83 1moy s THR 71 CO 0.62 -0.03 1.21 0.00 -0.69 0.00 0.00 174.62 175.73 1moy s ALA 72 N 1.58 3.06 0.24 7.40 0.00 -1.26 -0.65 121.76 132.12 1moy s ALA 72 Ca 0.03 1.03 -0.19 0.00 0.00 0.00 0.00 51.96 52.83 1moy s ALA 72 Cb -0.18 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.55 1moy s ALA 72 CO 0.06 -0.72 0.63 -0.48 0.00 0.00 0.00 175.76 175.26 1moy s LEU 73 N -2.82 -0.15 0.06 0.00 0.05 -0.24 -0.85 118.68 114.73 1moy s LEU 73 Ca 0.61 -0.56 -0.26 0.00 0.05 0.00 0.00 54.13 53.97 1moy s LEU 73 Cb -0.32 2.46 0.07 0.00 -2.05 0.00 0.00 46.19 46.35 1moy s LEU 73 CO 0.39 -1.22 0.62 -0.83 -0.55 0.00 0.00 176.35 174.77 1moy s GLY 74 N -2.90 -0.58 0.17 -3.48 0.00 -0.40 -1.57 107.32 98.55 1moy s GLY 74 Ca 0.11 0.83 -0.13 0.00 0.00 0.00 0.00 44.72 45.53 1moy s GLY 74 CO 0.03 0.49 0.39 0.66 0.00 0.00 0.00 173.10 174.67 1moy s TRP 75 N -2.58 0.11 0.01 1.90 -2.14 -0.32 -1.27 118.94 114.65 1moy s TRP 75 Ca -0.04 -0.46 0.07 0.00 2.66 0.00 0.00 56.10 58.32 1moy s TRP 75 Cb -0.01 0.16 -0.02 0.00 -3.10 0.00 0.00 33.47 30.50 1moy s TRP 75 CO -0.03 -0.78 -0.20 0.99 -2.66 0.00 0.00 176.95 174.27 1moy s THR 76 N -3.90 1.63 -0.14 0.66 2.01 0.02 -0.86 115.64 115.05 1moy s THR 76 Ca 0.11 -1.02 0.00 0.00 0.31 0.00 0.00 61.69 61.10 1moy s THR 76 Cb 0.02 -1.38 0.02 0.00 0.01 0.00 0.00 72.50 71.16 1moy s THR 76 CO -0.03 0.34 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.42 1moy s VAL 77 N -0.62 1.48 -0.03 3.82 1.01 -0.30 -2.28 120.40 123.49 1moy s VAL 77 Ca 0.08 -0.58 -0.23 0.00 0.00 0.00 0.00 61.98 61.24 1moy s VAL 77 Cb -0.08 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 1moy s VAL 77 CO 0.00 0.44 0.70 0.00 0.00 0.00 0.00 175.10 176.25 1moy s ALA 78 N 1.47 3.37 -1.38 5.51 0.00 -1.26 -0.77 121.76 128.71 1moy s ALA 78 Ca 0.04 0.16 -0.07 0.00 0.00 0.00 0.00 51.96 52.08 1moy s ALA 78 Cb -0.13 -2.93 0.01 0.00 0.00 0.00 0.00 23.12 20.07 1moy s ALA 78 CO -0.10 -0.01 2.71 0.91 0.00 0.00 0.00 175.76 179.27 1moy n TRP 79 N 3.33 2.38 -4.22 0.00 7.02 -0.10 -4.73 117.44 121.12 1moy n TRP 79 Ca -0.02 -2.86 -0.25 0.00 -1.02 0.00 0.00 57.50 53.34 1moy n TRP 79 Cb 0.51 -2.11 -0.17 0.00 -2.42 0.00 0.00 31.31 27.13 1moy n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1moy s LYS 80 N 0.39 1.47 0.00 -0.99 2.20 -1.26 -0.83 119.74 120.72 1moy s LYS 80 Ca 0.62 -0.29 0.00 0.00 -0.36 0.00 0.00 55.97 55.94 1moy s LYS 80 Cb 0.20 -1.39 0.00 0.00 -1.51 0.00 0.00 37.83 35.13 1moy s LYS 80 CO -0.08 -0.12 0.00 0.27 -0.36 0.00 0.00 175.35 175.06 1moy n ASN 81 N 4.35 0.00 0.00 1.43 0.23 -0.03 -4.76 115.26 116.49 1moy n ASN 81 Ca -0.18 -0.44 0.14 0.00 -0.53 0.00 0.00 54.58 53.56 1moy n ASN 81 Cb 0.51 0.00 0.73 0.00 -2.08 0.00 0.00 39.78 38.94 1moy n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1moy n ASN 82 N -1.09 0.00 -0.00 0.53 3.02 -1.26 -3.46 115.26 113.00 1moy n ASN 82 Ca 0.00 -0.20 0.01 0.00 -0.03 0.00 0.00 54.58 54.36 1moy n ASN 82 Cb 0.00 -0.25 -0.02 0.00 -0.61 0.00 0.00 39.78 38.90 1moy n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1moy n TYR 83 N -1.25 0.00 -3.77 3.10 4.02 -1.26 -5.07 117.16 112.93 1moy n TYR 83 Ca 0.14 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.90 1moy n TYR 83 Cb 0.21 -0.04 -0.10 0.00 -0.02 0.00 0.00 39.34 39.40 1moy n TYR 83 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 1moy s ARG 84 N -1.82 0.55 -0.27 -0.72 6.06 -1.22 -5.11 118.95 116.42 1moy s ARG 84 Ca -0.00 0.02 -0.04 0.00 -2.50 0.00 0.00 55.73 53.21 1moy s ARG 84 Cb 0.02 0.25 0.10 0.00 0.06 0.00 0.00 34.95 35.38 1moy s ARG 84 CO 0.12 -0.13 0.16 1.21 -2.50 0.00 0.00 175.30 174.15 1moy s ASN 85 N -0.80 2.92 0.00 -2.12 3.84 -1.26 -0.85 114.94 116.67 1moy s ASN 85 Ca -0.09 -1.04 0.27 0.00 0.21 0.00 0.00 52.86 52.21 1moy s ASN 85 Cb -0.04 -0.14 1.45 0.00 -0.55 0.00 0.00 41.25 41.96 1moy s ASN 85 CO 0.03 -0.41 1.95 0.00 -2.79 0.00 0.00 177.10 175.88 1moy n ALA 86 N 5.27 2.63 -3.84 1.71 0.00 -0.01 -4.92 120.51 121.35 1moy n ALA 86 Ca -0.05 -0.25 -0.25 0.00 0.00 0.00 0.00 53.44 52.88 1moy n ALA 86 Cb 0.44 -1.36 0.01 0.00 0.00 0.00 0.00 19.45 18.54 1moy n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1moy n HIS 87 N -0.61 -1.91 -3.81 0.00 8.25 -1.26 -4.86 115.22 111.02 1moy n HIS 87 Ca 0.20 0.83 -0.09 0.00 -0.26 0.00 0.00 57.72 58.39 1moy n HIS 87 Cb 0.16 -4.05 -0.05 0.00 1.12 0.00 0.00 29.99 27.18 1moy n HIS 87 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1moy s SER 88 N -4.09 -0.18 -0.09 0.41 0.01 -1.26 -1.03 113.70 107.48 1moy s SER 88 Ca 0.18 -0.60 -0.12 0.00 1.31 0.00 0.00 55.95 56.72 1moy s SER 88 Cb -0.09 0.55 0.03 0.00 0.21 0.00 0.00 66.02 66.71 1moy s SER 88 CO 0.84 -1.03 0.31 0.00 0.41 0.00 0.00 173.24 173.77 1moy s ALA 89 N -3.90 -0.76 -0.08 1.44 0.00 -0.24 -0.93 121.76 117.29 1moy s ALA 89 Ca 0.12 0.71 -0.00 0.00 0.00 0.00 0.00 51.96 52.79 1moy s ALA 89 Cb -0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 1moy s ALA 89 CO -0.01 -0.18 -0.04 0.99 0.00 0.00 0.00 175.76 176.52 1moy s THR 90 N -0.25 3.94 -0.05 0.00 2.01 0.05 -0.84 115.64 120.51 1moy s THR 90 Ca -0.04 -0.39 0.06 0.00 0.31 0.00 0.00 61.69 61.63 1moy s THR 90 Cb -0.03 -2.63 -0.02 0.00 0.01 0.00 0.00 72.50 69.83 1moy s THR 90 CO 0.01 0.60 -0.21 0.42 -0.69 0.00 0.00 174.62 174.75 1moy s THR 91 N -0.81 2.45 -0.12 -0.82 -4.23 0.06 -1.15 115.64 111.02 1moy s THR 91 Ca 0.12 -0.94 0.01 0.00 -1.18 0.00 0.00 61.69 59.70 1moy s THR 91 Cb -0.11 -1.91 -0.01 0.00 1.34 0.00 0.00 72.50 71.80 1moy s THR 91 CO 0.02 0.58 -0.14 0.26 -0.54 0.00 0.00 174.62 174.79 1moy s TRP 92 N -0.47 2.77 -0.10 3.99 0.51 -0.04 -1.10 118.94 124.50 1moy s TRP 92 Ca 0.06 -0.64 0.03 0.00 -2.12 0.00 0.00 56.10 53.43 1moy s TRP 92 Cb -0.12 -1.81 0.00 0.00 -0.81 0.00 0.00 33.47 30.74 1moy s TRP 92 CO 0.01 -0.19 -0.22 0.45 -0.51 0.00 0.00 176.95 176.49 1moy s SER 93 N 0.24 2.86 0.00 2.95 0.15 -0.07 -1.18 113.70 118.65 1moy s SER 93 Ca -0.10 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.04 1moy s SER 93 Cb -0.16 -1.31 0.00 0.00 -1.71 0.00 0.00 66.02 62.85 1moy s SER 93 CO 0.06 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.23 1moy n GLY 94 N 3.64 1.65 3.05 9.45 0.00 -0.61 -1.18 105.19 121.19 1moy n GLY 94 Ca -0.20 -0.66 -0.12 0.00 0.00 0.00 0.00 46.02 45.04 1moy n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1moy s GLN 95 N 0.96 0.26 0.05 1.61 -2.07 -0.59 -1.08 119.66 118.80 1moy s GLN 95 Ca 0.00 0.01 -0.23 0.00 -1.82 0.00 0.00 55.36 53.32 1moy s GLN 95 Cb 0.00 0.12 -0.06 0.00 -1.09 0.00 0.00 33.01 31.98 1moy s GLN 95 CO 0.00 -0.05 0.71 -0.47 -1.32 0.00 0.00 175.29 174.16 1moy s TYR 96 N -0.38 3.75 -0.11 9.60 5.04 0.17 -1.33 117.35 134.09 1moy s TYR 96 Ca -0.05 1.41 0.01 0.00 -2.44 0.00 0.00 57.07 56.00 1moy s TYR 96 Cb -0.03 -2.73 0.02 0.00 0.35 0.00 0.00 41.96 39.56 1moy s TYR 96 CO 0.01 0.35 -0.12 0.08 -1.34 0.00 0.00 175.55 174.52 1moy s VAL 97 N -0.31 1.33 0.00 3.14 1.01 0.53 -0.62 120.40 125.49 1moy s VAL 97 Ca 0.35 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1moy s VAL 97 Cb -0.20 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 34.92 1moy s VAL 97 CO 0.22 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.34 1moy n GLY 98 N 4.47 0.60 1.26 4.51 0.00 -1.26 -0.78 105.19 113.98 1moy n GLY 98 Ca -0.17 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 43.99 1moy n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1moy n GLY 99 N 5.00 -1.81 0.25 -0.02 0.00 -1.26 -4.21 105.19 103.14 1moy n GLY 99 Ca 0.00 -1.90 -0.02 0.00 0.00 0.00 0.00 46.02 44.09 1moy n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1moy h ALA 100 N 0.00 1.20 -2.19 4.61 0.00 -2.06 -2.86 119.26 117.96 1moy h ALA 100 Ca 0.00 -0.29 -0.60 0.00 0.00 0.00 0.00 54.91 54.02 1moy h ALA 100 Cb 0.00 -0.13 -0.42 0.00 0.00 0.00 0.00 17.79 17.24 1moy h ALA 100 CO 0.00 0.52 -0.62 0.39 0.00 0.00 0.00 179.25 179.53 1moy n GLU 101 N -4.18 2.49 -1.76 0.00 -0.58 -1.26 -5.08 120.64 110.27 1moy n GLU 101 Ca 0.00 -4.61 -0.40 0.00 -0.42 0.00 0.00 57.16 51.73 1moy n GLU 101 Cb 0.34 -2.20 0.02 0.00 -0.57 0.00 0.00 31.44 29.03 1moy n GLU 101 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1moy n ALA 102 N 0.80 1.97 -2.93 0.62 0.00 -1.08 -4.88 120.51 115.02 1moy n ALA 102 Ca 0.30 0.26 -0.11 0.00 0.00 0.00 0.00 53.44 53.89 1moy n ALA 102 Cb 0.42 -2.38 -0.08 0.00 0.00 0.00 0.00 19.45 17.41 1moy n ALA 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1moy s ARG 103 N -2.39 0.74 -0.29 0.00 0.52 0.04 -4.03 118.95 113.54 1moy s ARG 103 Ca 0.60 -0.57 0.00 0.00 -0.52 0.00 0.00 55.73 55.24 1moy s ARG 103 Cb -0.46 0.31 0.06 0.00 0.52 0.00 0.00 34.95 35.38 1moy s ARG 103 CO 0.58 -0.22 -0.04 0.42 0.02 0.00 0.00 175.30 176.06 1moy s ILE 104 N -2.54 2.67 -0.19 1.52 1.01 -0.05 -0.34 121.20 123.27 1moy s ILE 104 Ca -0.05 -1.52 -0.18 0.00 0.00 0.00 0.00 60.65 58.90 1moy s ILE 104 Cb -0.01 -2.56 -0.03 0.00 0.01 0.00 0.00 42.46 39.86 1moy s ILE 104 CO -0.04 -0.10 0.50 0.20 0.00 0.00 0.00 174.94 175.51 1moy s ASN 105 N 1.20 6.57 0.09 3.58 0.02 -0.44 -1.09 114.94 124.87 1moy s ASN 105 Ca -0.06 0.68 0.03 0.00 -1.02 0.00 0.00 52.86 52.49 1moy s ASN 105 Cb -0.20 -2.29 -0.04 0.00 0.02 0.00 0.00 41.25 38.75 1moy s ASN 105 CO -0.03 -0.15 -0.08 0.42 0.02 0.00 0.00 177.10 177.28 1moy s THR 106 N 1.46 0.79 0.08 1.60 -4.23 -0.34 -1.54 115.64 113.46 1moy s THR 106 Ca 0.24 -1.69 0.09 0.00 -1.18 0.00 0.00 61.69 59.15 1moy s THR 106 Cb -0.15 -1.39 -0.03 0.00 1.34 0.00 0.00 72.50 72.27 1moy s THR 106 CO 0.10 -0.66 -0.23 -1.10 -0.54 0.00 0.00 174.62 172.18 1moy s GLN 107 N -3.05 1.40 0.13 3.99 -0.21 -0.32 -2.09 119.66 119.50 1moy s GLN 107 Ca 0.06 -1.13 0.05 0.00 0.02 0.00 0.00 55.36 54.36 1moy s GLN 107 Cb -0.01 -1.66 -0.04 0.00 1.00 0.00 0.00 33.01 32.31 1moy s GLN 107 CO -0.02 0.41 -0.12 1.67 -2.12 0.00 0.00 175.29 175.11 1moy s TRP 108 N -0.96 1.30 -0.08 0.91 1.48 0.21 -0.89 118.94 120.91 1moy s TRP 108 Ca 0.10 -0.65 0.02 0.00 -1.06 0.00 0.00 56.10 54.50 1moy s TRP 108 Cb -0.10 -0.67 0.02 0.00 -1.16 0.00 0.00 33.47 31.56 1moy s TRP 108 CO 0.03 0.11 -0.11 -0.51 -4.06 0.00 0.00 176.95 172.41 1moy s LEU 109 N -2.75 1.53 -0.14 -4.66 1.43 -0.25 -1.42 118.68 112.41 1moy s LEU 109 Ca 0.12 -0.30 -0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1moy s LEU 109 Cb -0.02 -0.84 -0.01 0.00 0.03 0.00 0.00 46.19 45.35 1moy s LEU 109 CO 0.02 -0.01 -0.12 -0.22 0.23 0.00 0.00 176.35 176.25 1moy s LEU 110 N 0.95 2.73 -0.08 1.79 0.20 0.20 -0.76 118.68 123.71 1moy s LEU 110 Ca -0.09 -0.34 0.04 0.00 0.69 0.00 0.00 54.13 54.43 1moy s LEU 110 Cb -0.15 -1.62 -0.02 0.00 -0.43 0.00 0.00 46.19 43.97 1moy s LEU 110 CO 0.00 0.15 -0.19 -0.89 -0.29 0.00 0.00 176.35 175.13 1moy s THR 111 N 0.46 2.60 -0.01 3.68 2.01 -0.02 -0.16 115.64 124.21 1moy s THR 111 Ca -0.09 -0.86 -0.01 0.00 0.31 0.00 0.00 61.69 61.04 1moy s THR 111 Cb -0.16 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.30 1moy s THR 111 CO 0.04 0.56 0.09 -0.44 -0.69 0.00 0.00 174.62 174.19 1moy s SER 112 N -0.14 5.76 0.28 3.53 0.01 -0.31 -1.07 113.70 121.76 1moy s SER 112 Ca -0.03 0.17 -0.30 0.00 1.31 0.00 0.00 55.95 57.11 1moy s SER 112 Cb -0.14 -1.68 -0.10 0.00 0.21 0.00 0.00 66.02 64.31 1moy s SER 112 CO 0.04 0.28 1.41 -0.83 0.41 0.00 0.00 173.24 174.54 1moy s GLY 113 N -1.73 2.54 0.18 3.44 0.00 -0.20 -4.81 107.32 106.75 1moy s GLY 113 Ca 0.23 1.33 0.01 0.00 0.00 0.00 0.00 44.72 46.29 1moy s GLY 113 CO 0.14 2.18 0.04 -0.51 0.00 0.00 0.00 173.10 174.95 1moy s THR 114 N -0.38 0.51 0.96 0.90 -4.23 -1.26 -5.02 115.64 107.12 1moy s THR 114 Ca 0.56 -1.97 -0.12 0.00 -1.18 0.00 0.00 61.69 58.98 1moy s THR 114 Cb -0.42 -2.24 0.17 0.00 1.34 0.00 0.00 72.50 71.35 1moy s THR 114 CO 0.47 -0.35 1.10 0.42 -0.54 0.00 0.00 174.62 175.72 1moy s THR 115 N -3.78 2.23 0.18 3.99 -4.23 -1.26 -4.87 115.64 107.91 1moy s THR 115 Ca 0.28 0.08 -0.12 0.00 -1.18 0.00 0.00 61.69 60.75 1moy s THR 115 Cb 0.07 -2.61 0.10 0.00 1.34 0.00 0.00 72.50 71.40 1moy s THR 115 CO 0.06 -0.10 1.79 -0.33 -0.54 0.00 0.00 174.62 175.50 1moy h GLU 116 N -1.75 0.91 0.00 3.99 5.08 -2.01 -1.90 114.58 118.91 1moy h GLU 116 Ca -0.53 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 57.71 1moy h GLU 116 Cb 1.32 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 1moy h GLU 116 CO 0.57 0.71 -0.02 0.00 -1.00 0.00 0.00 179.01 179.27 1moy h ALA 117 N 1.15 1.19 -0.34 3.43 0.00 -2.06 -2.12 119.26 120.52 1moy h ALA 117 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1moy h ALA 117 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1moy h ALA 117 CO -0.03 0.03 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1moy n ASN 118 N -3.39 3.03 0.16 0.00 5.03 -0.76 -4.59 115.26 114.73 1moy n ASN 118 Ca -0.02 -1.89 0.06 0.00 0.87 0.00 0.00 54.58 53.60 1moy n ASN 118 Cb 0.13 -0.22 0.55 0.00 -1.02 0.00 0.00 39.78 39.22 1moy n ASN 118 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1moy h ALA 119 N 3.12 1.88 -0.22 5.41 0.00 -0.86 -1.28 119.26 127.32 1moy h ALA 119 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1moy h ALA 119 Cb 0.79 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1moy h ALA 119 CO 0.00 0.11 0.17 0.11 0.00 0.00 0.00 179.25 179.64 1moy h TRP 120 N 0.22 0.00 -0.45 0.00 5.08 -1.81 -1.21 115.95 117.77 1moy h TRP 120 Ca 0.06 0.00 -0.23 0.00 1.08 0.00 0.00 58.89 59.80 1moy h TRP 120 Cb -0.02 0.00 -0.13 0.00 -3.00 0.00 0.00 29.16 26.01 1moy h TRP 120 CO 0.00 0.00 0.03 0.36 -1.28 0.00 0.00 178.44 177.55 1moy n LYS 121 N -4.31 1.95 0.11 0.12 2.85 -0.49 -4.65 118.16 113.75 1moy n LYS 121 Ca 0.02 -3.16 0.12 0.00 -1.05 0.00 0.00 58.31 54.25 1moy n LYS 121 Cb 0.31 -1.88 0.26 0.00 -0.65 0.00 0.00 35.03 33.08 1moy n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1moy h SER 122 N 1.05 0.00 -3.20 -5.58 4.64 -1.22 -3.46 113.55 105.78 1moy h SER 122 Ca 0.28 -0.07 -0.55 0.00 -0.47 0.00 0.00 61.79 60.99 1moy h SER 122 Cb 1.84 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 63.57 1moy h SER 122 CO 0.50 0.03 -0.81 -0.89 -0.87 0.00 0.00 176.83 174.79 1moy s THR 123 N -3.16 1.19 0.23 2.95 2.01 -1.26 -1.16 115.64 116.45 1moy s THR 123 Ca 0.08 -0.41 -0.06 0.00 0.31 0.00 0.00 61.69 61.61 1moy s THR 123 Cb 0.11 -1.16 -0.06 0.00 0.01 0.00 0.00 72.50 71.41 1moy s THR 123 CO 0.66 0.39 0.50 -0.76 -0.69 0.00 0.00 174.62 174.72 1moy s LEU 124 N 1.49 4.15 0.06 4.42 1.43 0.78 -4.92 118.68 126.08 1moy s LEU 124 Ca 0.02 0.70 0.07 0.00 -1.03 0.00 0.00 54.13 53.89 1moy s LEU 124 Cb -0.13 -3.48 -0.03 0.00 0.03 0.00 0.00 46.19 42.58 1moy s LEU 124 CO -0.07 -0.10 -0.18 0.54 0.23 0.00 0.00 176.35 176.77 1moy s VAL 125 N -1.91 1.46 0.00 -1.59 0.11 -1.26 -0.63 120.40 116.59 1moy s VAL 125 Ca 0.44 -1.25 0.00 0.00 -2.93 0.00 0.00 61.98 58.24 1moy s VAL 125 Cb -0.11 -1.31 0.00 0.00 -1.53 0.00 0.00 36.38 33.42 1moy s VAL 125 CO 0.27 0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.68 1moy n GLY 126 N 1.59 2.23 3.03 6.54 0.00 -0.51 -4.99 105.19 113.09 1moy n GLY 126 Ca -0.18 -0.90 -0.10 0.00 0.00 0.00 0.00 46.02 44.84 1moy n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1moy s HIS 127 N -6.42 0.20 -0.01 1.61 -3.43 -1.26 -0.62 115.29 105.35 1moy s HIS 127 Ca 0.00 -0.43 0.01 0.00 -0.80 0.00 0.00 55.06 53.84 1moy s HIS 127 Cb 0.00 -0.15 0.01 0.00 -1.43 0.00 0.00 32.58 31.00 1moy s HIS 127 CO 0.00 -0.24 -0.03 -0.51 -2.00 0.00 0.00 174.74 171.96 1moy s ASP 128 N -1.55 0.53 -0.21 7.38 1.01 -0.89 -4.94 116.67 118.01 1moy s ASP 128 Ca -0.14 -0.07 -0.04 0.00 0.71 0.00 0.00 52.55 53.01 1moy s ASP 128 Cb -0.08 -0.13 -0.01 0.00 1.01 0.00 0.00 42.92 43.71 1moy s ASP 128 CO -0.01 0.01 -0.04 -0.89 0.21 0.00 0.00 175.17 174.45 1moy s THR 129 N 0.23 3.44 -0.11 -1.27 2.01 -1.26 -1.19 115.64 117.49 1moy s THR 129 Ca -0.02 -0.48 -0.04 0.00 0.31 0.00 0.00 61.69 61.46 1moy s THR 129 Cb -0.06 -2.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 1moy s THR 129 CO -0.00 0.43 0.04 -0.36 -0.69 0.00 0.00 174.62 174.03 1moy s PHE 130 N 1.34 3.27 0.22 4.92 0.40 -0.25 -3.57 117.98 124.31 1moy s PHE 130 Ca 0.04 0.24 0.04 0.00 -0.60 0.00 0.00 56.93 56.65 1moy s PHE 130 Cb -0.14 -1.86 -0.05 0.00 0.51 0.00 0.00 43.02 41.47 1moy s PHE 130 CO -0.02 0.48 -0.04 0.95 0.70 0.00 0.00 175.22 177.29 1moy s THR 131 N -0.73 1.19 -0.56 0.64 -4.23 0.20 -0.87 115.64 111.27 1moy s THR 131 Ca 0.12 -2.06 0.24 0.00 -1.18 0.00 0.00 61.69 58.81 1moy s THR 131 Cb -0.12 -2.25 0.19 0.00 1.34 0.00 0.00 72.50 71.66 1moy s THR 131 CO 0.02 -0.41 1.50 0.11 -0.54 0.00 0.00 174.62 175.31 1moy h LYS 132 N 2.50 0.00 -4.86 3.99 1.57 -1.82 -0.64 116.57 117.31 1moy h LYS 132 Ca -0.38 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.11 1moy h LYS 132 Cb 1.22 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.36 1moy h LYS 132 CO 0.65 0.00 -0.72 0.14 -0.57 0.00 0.00 179.45 178.95 1moy s VAL 133 N -3.18 0.88 0.04 0.50 -7.23 -1.26 -4.85 120.40 105.29 1moy s VAL 133 Ca 0.07 -1.79 0.00 0.00 -1.81 0.00 0.00 61.98 58.45 1moy s VAL 133 Cb 0.10 -1.52 -0.03 0.00 0.56 0.00 0.00 36.38 35.49 1moy s VAL 133 CO 0.68 -0.69 -0.04 -1.59 -0.31 0.00 0.00 175.10 173.15 1moy s LYS 134 N -3.26 0.48 0.36 4.82 -2.85 -1.26 -4.91 119.74 113.11 1moy s LYS 134 Ca 0.09 -0.89 -0.27 0.00 -1.00 0.00 0.00 55.97 53.90 1moy s LYS 134 Cb 0.01 0.07 -0.12 0.00 -2.06 0.00 0.00 37.83 35.73 1moy s LYS 134 CO -0.01 -0.06 1.19 -2.30 0.10 0.00 0.00 175.35 174.28 1moy n PRO 135 N 0.96 1.84 -3.96 1.78 -0.02 -1.26 -4.98 135.00 129.37 1moy n PRO 135 Ca -0.20 0.65 -0.08 0.00 -2.02 0.00 0.00 63.50 61.85 1moy n PRO 135 Cb 0.57 -2.21 -0.09 0.00 -0.02 0.00 0.00 33.50 31.75 1moy n PRO 135 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1moy s SER 136 N -0.46 0.27 0.04 2.55 1.04 -1.26 -5.18 113.70 110.70 1moy s SER 136 Ca 0.58 -0.74 -0.27 0.00 0.48 0.00 0.00 55.95 56.00 1moy s SER 136 Cb -0.58 0.26 0.07 0.00 0.10 0.00 0.00 66.02 65.88 1moy s SER 136 CO 0.60 -0.62 0.67 0.00 0.98 0.00 0.00 173.24 174.88 1moy s ALA 137 N -3.52 -1.71 0.80 5.32 0.00 -1.26 -5.14 121.76 116.24 1moy s ALA 137 Ca 0.03 0.96 -0.12 0.00 0.00 0.00 0.00 51.96 52.82 1moy s ALA 137 Cb 0.04 0.37 0.08 0.00 0.00 0.00 0.00 23.12 23.61 1moy s ALA 137 CO -0.09 -0.56 1.15 0.00 0.00 0.00 0.00 175.76 176.27 1moy s ALA 138 N -2.41 1.95 -2.00 0.00 0.00 -1.26 -5.32 121.76 112.72 1moy s ALA 138 Ca -0.04 0.63 0.11 0.00 0.00 0.00 0.00 51.96 52.65 1moy s ALA 138 Cb -0.01 -3.41 0.65 0.00 0.00 0.00 0.00 23.12 20.35 1moy s ALA 138 CO -0.02 -2.11 1.09 0.43 0.00 0.00 0.00 175.76 175.15