#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jer s GLN 1 N 0.00 3.88 0.86 0.00 -1.52 -1.26 -5.05 119.66 116.56 1jer s GLN 1 Ca 0.00 1.50 -0.12 0.00 -1.95 0.00 0.00 55.36 54.80 1jer s GLN 1 Cb 0.00 -2.29 0.10 0.00 -0.22 0.00 0.00 33.01 30.60 1jer s GLN 1 CO 0.00 -0.39 1.10 -1.12 -0.25 0.00 0.00 175.29 174.63 1jer s SER 2 N -1.72 3.93 -0.01 5.90 0.01 -1.26 -5.06 113.70 115.50 1jer s SER 2 Ca 0.64 1.29 -0.01 0.00 1.31 0.00 0.00 55.95 59.18 1jer s SER 2 Cb -0.21 -1.98 -0.04 0.00 0.21 0.00 0.00 66.02 64.00 1jer s SER 2 CO 0.25 -2.32 0.11 -0.89 0.41 0.00 0.00 173.24 170.80 1jer s THR 3 N -3.10 4.94 -0.35 1.44 2.01 -1.26 -4.98 115.64 114.34 1jer s THR 3 Ca 0.62 -0.33 -0.09 0.00 0.31 0.00 0.00 61.69 62.20 1jer s THR 3 Cb -0.16 -3.28 0.02 0.00 0.01 0.00 0.00 72.50 69.10 1jer s THR 3 CO 0.55 0.34 0.16 -0.69 -0.69 0.00 0.00 174.62 174.29 1jer s VAL 4 N -1.23 4.32 0.10 3.82 1.01 -1.26 -1.28 120.40 125.87 1jer s VAL 4 Ca 0.24 -0.85 -0.19 0.00 0.00 0.00 0.00 61.98 61.18 1jer s VAL 4 Cb -0.12 -3.37 -0.07 0.00 0.00 0.00 0.00 36.38 32.82 1jer s VAL 4 CO 0.15 -0.15 0.59 -1.00 0.00 0.00 0.00 175.10 174.70 1jer s HIS 5 N 1.52 3.79 -0.42 5.22 3.76 0.48 -4.90 115.29 124.73 1jer s HIS 5 Ca 0.01 1.29 -0.16 0.00 -0.15 0.00 0.00 55.06 56.05 1jer s HIS 5 Cb -0.19 -2.51 0.02 0.00 1.11 0.00 0.00 32.58 31.01 1jer s HIS 5 CO 0.05 0.55 0.39 0.42 -0.85 0.00 0.00 174.74 175.31 1jer s ILE 6 N -1.17 5.15 0.07 0.60 -1.09 -1.26 -0.43 121.20 123.06 1jer s ILE 6 Ca 0.31 -0.49 -0.32 0.00 -2.23 0.00 0.00 60.65 57.92 1jer s ILE 6 Cb -0.19 -4.01 -0.11 0.00 -1.58 0.00 0.00 42.46 36.57 1jer s ILE 6 CO 0.20 -0.40 1.85 0.52 -1.23 0.00 0.00 174.94 175.88 1jer n VAL 7 N 5.34 0.46 -1.01 2.92 0.31 -0.47 -0.66 118.33 125.22 1jer n VAL 7 Ca -0.09 -0.08 -0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1jer n VAL 7 Cb 0.47 -2.06 -0.00 0.00 -0.91 0.00 0.00 33.84 31.34 1jer n VAL 7 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jer n GLY 8 N 4.25 0.40 7.00 2.92 0.00 -1.26 -3.43 105.19 115.07 1jer n GLY 8 Ca 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1jer n GLY 8 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jer n ASP 9 N -0.18 0.00 0.28 1.61 8.00 0.16 -1.25 116.55 125.17 1jer n ASP 9 Ca -0.00 0.00 0.18 0.00 0.71 0.00 0.00 54.79 55.68 1jer n ASP 9 Cb 0.12 0.00 0.80 0.00 -0.02 0.00 0.00 41.12 42.03 1jer n ASP 9 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1jer h ASN 10 N 0.00 0.00 0.69 -2.24 -0.26 -1.88 -2.38 115.58 109.51 1jer h ASN 10 Ca 0.00 0.00 -0.17 0.00 -0.56 0.00 0.00 56.30 55.57 1jer h ASN 10 Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.24 1jer h ASN 10 CO 0.00 0.00 -0.77 0.74 -1.06 0.00 0.00 177.43 176.34 1jer h THR 11 N 0.00 1.52 -0.24 2.81 2.02 -1.48 -3.49 112.91 114.04 1jer h THR 11 Ca 0.00 -2.54 0.00 0.00 0.77 0.00 0.00 66.41 64.64 1jer h THR 11 Cb 0.35 2.38 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 1jer h THR 11 CO 0.00 0.73 0.00 0.61 0.37 0.00 0.00 175.52 177.23 1jer n GLY 12 N 0.66 -1.41 3.35 2.16 0.00 -0.90 -4.67 105.19 104.38 1jer n GLY 12 Ca -0.01 -1.28 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 1jer n GLY 12 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1jer s TRP 13 N 0.00 3.27 0.37 1.61 -0.00 -0.22 -4.37 118.94 119.60 1jer s TRP 13 Ca 0.00 -1.09 -0.09 0.00 -0.00 0.00 0.00 56.10 54.92 1jer s TRP 13 Cb 0.00 -2.68 0.04 0.00 -0.00 0.00 0.00 33.47 30.83 1jer s TRP 13 CO 0.00 -0.72 0.65 -1.13 -0.00 0.00 0.00 176.95 175.75 1jer n SER 14 N 5.01 -1.86 -4.67 5.86 3.41 -1.26 -4.59 113.62 115.52 1jer n SER 14 Ca -0.11 -2.73 -0.43 0.00 -0.26 0.00 0.00 58.87 55.34 1jer n SER 14 Cb 0.45 3.22 -0.02 0.00 -0.26 0.00 0.00 64.21 67.60 1jer n SER 14 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1jer s VAL 15 N -2.44 4.73 0.60 -3.33 1.01 -1.26 -4.69 120.40 115.02 1jer s VAL 15 Ca 0.22 2.03 -0.09 0.00 0.00 0.00 0.00 61.98 64.14 1jer s VAL 15 Cb -0.03 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 1jer s VAL 15 CO 0.16 -0.09 0.96 -2.16 0.00 0.00 0.00 175.10 173.97 1jer s PRO 16 N 2.61 3.34 0.15 2.72 0.04 -1.26 -4.97 135.00 137.62 1jer s PRO 16 Ca 0.46 0.43 -0.03 0.00 0.04 0.00 0.00 61.00 61.90 1jer s PRO 16 Cb -0.17 -2.18 -0.02 0.00 0.04 0.00 0.00 34.50 32.18 1jer s PRO 16 CO 0.12 -0.58 1.37 0.77 0.04 0.00 0.00 177.00 178.72 1jer h SER 17 N -0.22 0.53 -3.61 6.66 0.02 -1.94 -3.43 113.55 111.57 1jer h SER 17 Ca -0.45 -0.38 -0.67 0.00 -0.84 0.00 0.00 61.79 59.45 1jer h SER 17 Cb 1.22 -0.16 -0.23 0.00 0.14 0.00 0.00 62.40 63.37 1jer h SER 17 CO 0.62 1.15 -0.73 -0.44 -1.14 0.00 0.00 176.83 176.29 1jer s SER 18 N -7.02 4.34 0.41 3.07 0.01 -1.26 -4.99 113.70 108.26 1jer s SER 18 Ca -0.06 -0.16 0.29 0.00 1.31 0.00 0.00 55.95 57.32 1jer s SER 18 Cb 0.10 -1.30 1.46 0.00 0.21 0.00 0.00 66.02 66.48 1jer s SER 18 CO 0.85 0.27 1.87 1.55 0.41 0.00 0.00 173.24 178.20 1jer h PRO 19 N 5.90 0.00 -0.25 12.44 0.13 -1.83 -1.87 132.00 146.52 1jer h PRO 19 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1jer h PRO 19 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1jer h PRO 19 CO 0.54 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.58 1jer n ASN 20 N -2.53 2.44 -0.07 1.44 2.04 -1.26 -4.58 115.26 112.74 1jer n ASN 20 Ca -0.01 -1.84 -0.08 0.00 -0.44 0.00 0.00 54.58 52.22 1jer n ASN 20 Cb 0.11 -0.16 -0.01 0.00 -2.53 0.00 0.00 39.78 37.19 1jer n ASN 20 CO 0.00 0.00 0.00 0.15 -0.44 0.00 0.00 177.26 176.97 1jer h PHE 21 N 3.23 -0.68 0.00 -2.53 3.57 -1.68 -1.17 116.94 117.68 1jer h PHE 21 Ca 0.00 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 1jer h PHE 21 Cb 0.71 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 1jer h PHE 21 CO 0.16 -0.33 -0.28 1.88 -2.23 0.00 0.00 178.31 177.50 1jer h TYR 22 N -0.24 0.00 0.00 0.41 0.05 -1.84 -2.10 116.97 113.25 1jer h TYR 22 Ca 0.15 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.81 1jer h TYR 22 Cb 0.48 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.20 1jer h TYR 22 CO -0.43 0.28 -0.58 0.66 -1.05 0.00 0.00 178.16 177.04 1jer h SER 23 N 0.00 0.00 0.19 3.88 4.64 -1.77 -0.89 113.55 119.60 1jer h SER 23 Ca -0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 1jer h SER 23 Cb 1.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1jer h SER 23 CO 0.04 0.58 -0.55 1.56 -0.87 0.00 0.00 176.83 177.58 1jer h GLN 24 N 0.00 0.39 -0.31 4.77 4.20 -1.05 -1.89 115.11 121.22 1jer h GLN 24 Ca -0.01 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.43 1jer h GLN 24 Cb 1.35 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.15 1jer h GLN 24 CO 0.08 0.84 0.07 2.35 -0.67 0.00 0.00 178.83 181.49 1jer h TRP 25 N 0.30 0.53 -0.39 2.96 7.01 -1.10 -2.96 115.95 122.29 1jer h TRP 25 Ca 0.00 -0.07 -0.07 0.00 2.11 0.00 0.00 58.89 60.87 1jer h TRP 25 Cb 1.06 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 27.95 1jer h TRP 25 CO 0.03 0.57 -0.04 0.00 -2.79 0.00 0.00 178.44 176.21 1jer h ALA 26 N 0.90 1.19 0.00 2.65 0.00 -1.11 -2.53 119.26 120.36 1jer h ALA 26 Ca 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1jer h ALA 26 Cb 0.31 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1jer h ALA 26 CO 0.00 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.78 1jer n ALA 27 N -2.48 1.67 1.50 0.00 0.00 -0.72 -2.01 120.51 118.47 1jer n ALA 27 Ca 0.02 0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.63 1jer n ALA 27 Cb 0.30 -1.33 0.54 0.00 0.00 0.00 0.00 19.45 18.96 1jer n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jer n GLY 28 N 0.01 -0.04 3.52 0.00 0.00 -0.95 -4.95 105.19 102.79 1jer n GLY 28 Ca 0.03 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.37 1jer n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jer s LYS 29 N -1.98 1.77 -0.12 1.61 -0.14 -0.85 -5.14 119.74 114.89 1jer s LYS 29 Ca 0.38 -1.94 0.03 0.00 -1.36 0.00 0.00 55.97 53.08 1jer s LYS 29 Cb 0.21 -1.48 0.01 0.00 -1.68 0.00 0.00 37.83 34.89 1jer s LYS 29 CO 0.33 0.04 -0.21 0.99 -0.76 0.00 0.00 175.35 175.74 1jer s THR 30 N -2.79 1.94 -0.17 2.17 2.01 -1.26 -5.02 115.64 112.51 1jer s THR 30 Ca 0.33 -0.92 -0.04 0.00 0.31 0.00 0.00 61.69 61.36 1jer s THR 30 Cb 0.05 -1.71 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 1jer s THR 30 CO 0.16 0.53 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.23 1jer s PHE 31 N 0.67 3.03 0.14 4.92 0.08 -1.26 -5.07 117.98 120.49 1jer s PHE 31 Ca -0.11 -0.36 0.11 0.00 0.12 0.00 0.00 56.93 56.68 1jer s PHE 31 Cb -0.16 -2.01 -0.04 0.00 -0.57 0.00 0.00 43.02 40.24 1jer s PHE 31 CO 0.02 -0.11 -0.25 1.03 -0.10 0.00 0.00 175.22 175.81 1jer s ARG 32 N 0.60 1.49 0.23 0.44 0.52 -1.26 -0.73 118.95 120.23 1jer s ARG 32 Ca -0.02 -1.36 -0.31 0.00 -0.52 0.00 0.00 55.73 53.52 1jer s ARG 32 Cb -0.14 -1.93 -0.14 0.00 0.52 0.00 0.00 34.95 33.26 1jer s ARG 32 CO 0.02 0.44 1.28 0.28 0.02 0.00 0.00 175.30 177.35 1jer n VAL 33 N 0.76 1.08 0.00 3.52 0.31 0.01 -0.46 118.33 123.55 1jer n VAL 33 Ca -0.17 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 1jer n VAL 33 Cb 0.54 -1.22 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 1jer n VAL 33 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jer n GLY 34 N 1.95 2.78 3.82 2.92 0.00 0.98 -4.58 105.19 113.07 1jer n GLY 34 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1jer n GLY 34 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jer s ASP 35 N 0.07 3.74 0.20 1.61 1.01 0.39 -4.68 116.67 119.02 1jer s ASP 35 Ca 0.00 0.87 0.04 0.00 0.71 0.00 0.00 52.55 54.17 1jer s ASP 35 Cb 0.00 -1.40 -0.05 0.00 1.01 0.00 0.00 42.92 42.48 1jer s ASP 35 CO 0.00 -2.39 -0.04 -0.44 0.21 0.00 0.00 175.17 172.51 1jer s SER 36 N -4.23 1.83 -0.12 0.27 0.01 -0.41 -0.48 113.70 110.57 1jer s SER 36 Ca 0.64 -1.15 0.03 0.00 1.31 0.00 0.00 55.95 56.78 1jer s SER 36 Cb -0.13 0.00 0.01 0.00 0.21 0.00 0.00 66.02 66.11 1jer s SER 36 CO 0.52 -0.45 -0.23 -0.76 0.41 0.00 0.00 173.24 172.73 1jer s LEU 37 N -3.26 2.10 -0.22 2.44 1.43 0.71 -0.39 118.68 121.49 1jer s LEU 37 Ca 0.25 -0.59 -0.07 0.00 -1.03 0.00 0.00 54.13 52.69 1jer s LEU 37 Cb 0.05 -1.43 -0.03 0.00 0.03 0.00 0.00 46.19 44.81 1jer s LEU 37 CO 0.06 0.11 0.05 -1.58 0.23 0.00 0.00 176.35 175.22 1jer s GLN 38 N 0.63 3.69 -0.24 1.70 0.74 0.43 -0.06 119.66 126.54 1jer s GLN 38 Ca -0.12 -0.47 -0.06 0.00 0.05 0.00 0.00 55.36 54.76 1jer s GLN 38 Cb -0.16 -3.23 -0.02 0.00 1.10 0.00 0.00 33.01 30.69 1jer s GLN 38 CO 0.02 -0.06 0.04 -0.06 -0.55 0.00 0.00 175.29 174.68 1jer s PHE 39 N 1.25 3.05 -0.16 1.67 0.40 0.74 -1.36 117.98 123.57 1jer s PHE 39 Ca 0.04 -0.62 -0.03 0.00 -0.60 0.00 0.00 56.93 55.72 1jer s PHE 39 Cb -0.15 -2.20 -0.02 0.00 0.51 0.00 0.00 43.02 41.16 1jer s PHE 39 CO 0.03 -0.43 -0.07 -0.80 0.70 0.00 0.00 175.22 174.65 1jer s ASN 40 N 1.56 4.48 0.20 1.36 0.01 -1.26 -1.53 114.94 119.76 1jer s ASN 40 Ca 0.06 -0.23 -0.20 0.00 -0.71 0.00 0.00 52.86 51.78 1jer s ASN 40 Cb -0.15 -1.72 0.04 0.00 0.41 0.00 0.00 41.25 39.83 1jer s ASN 40 CO 0.01 0.14 0.59 0.72 -1.51 0.00 0.00 177.10 177.05 1jer s PHE 41 N 0.55 -0.26 0.13 2.20 -0.71 -1.26 -1.05 117.98 117.58 1jer s PHE 41 Ca -0.05 -0.06 -0.31 0.00 -1.04 0.00 0.00 56.93 55.47 1jer s PHE 41 Cb -0.15 0.51 -0.08 0.00 -1.21 0.00 0.00 43.02 42.09 1jer s PHE 41 CO 0.03 -0.96 1.43 -1.25 -1.34 0.00 0.00 175.22 173.12 1jer s PRO 42 N -3.84 4.30 0.55 1.99 0.04 -1.26 -4.63 135.00 132.14 1jer s PRO 42 Ca 0.07 2.14 -0.18 0.00 0.04 0.00 0.00 61.00 63.07 1jer s PRO 42 Cb -0.02 -3.22 -0.10 0.00 0.04 0.00 0.00 34.50 31.20 1jer s PRO 42 CO -0.04 -0.46 0.38 0.00 0.04 0.00 0.00 177.00 176.92 1jer n ALA 43 N 3.83 -1.59 0.00 8.56 0.00 -1.26 -2.00 120.51 128.04 1jer n ALA 43 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1jer n ALA 43 Cb 0.41 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1jer n ALA 43 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jer n ASN 44 N 0.98 0.00 -0.01 0.00 4.13 -0.43 -4.73 115.26 115.21 1jer n ASN 44 Ca 0.11 0.00 -0.05 0.00 1.68 0.00 0.00 54.58 56.32 1jer n ASN 44 Cb 0.47 -0.89 -0.12 0.00 -1.54 0.00 0.00 39.78 37.70 1jer n ASN 44 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jer n ALA 45 N 0.61 1.71 -3.54 5.41 0.00 -0.85 -5.00 120.51 118.85 1jer n ALA 45 Ca 0.00 -0.71 -0.10 0.00 0.00 0.00 0.00 53.44 52.63 1jer n ALA 45 Cb 0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 1jer n ALA 45 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1jer n HIS 46 N -2.93 -0.48 -3.95 0.00 8.25 -1.26 -4.96 115.22 109.88 1jer n HIS 46 Ca -0.15 -1.22 -0.12 0.00 -0.26 0.00 0.00 57.72 55.97 1jer n HIS 46 Cb 0.96 0.16 -0.01 0.00 1.12 0.00 0.00 29.99 32.22 1jer n HIS 46 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1jer n ASN 47 N -2.29 -1.63 -3.81 0.41 2.04 -1.26 -4.69 115.26 104.03 1jer n ASN 47 Ca 0.03 -2.75 -0.22 0.00 -0.44 0.00 0.00 54.58 51.19 1jer n ASN 47 Cb 0.27 2.89 -0.17 0.00 -2.53 0.00 0.00 39.78 40.24 1jer n ASN 47 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1jer s VAL 48 N -2.59 0.44 -0.04 3.53 1.01 -1.26 -4.22 120.40 117.27 1jer s VAL 48 Ca 0.24 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.27 1jer s VAL 48 Cb -0.02 -0.55 0.01 0.00 0.00 0.00 0.00 36.38 35.82 1jer s VAL 48 CO 0.17 0.25 -0.07 -1.00 0.00 0.00 0.00 175.10 174.45 1jer s HIS 49 N 1.61 0.89 0.02 5.22 3.76 -0.03 -4.96 115.29 121.79 1jer s HIS 49 Ca -0.00 -0.24 -0.20 0.00 -0.15 0.00 0.00 55.06 54.46 1jer s HIS 49 Cb -0.13 -0.68 -0.06 0.00 1.11 0.00 0.00 32.58 32.82 1jer s HIS 49 CO -0.04 -0.15 0.58 -2.00 -0.85 0.00 0.00 174.74 172.29 1jer s GLU 50 N 0.49 4.28 0.17 1.40 2.12 -1.26 -0.64 118.70 125.26 1jer s GLU 50 Ca -0.07 0.73 0.04 0.00 0.36 0.00 0.00 54.97 56.03 1jer s GLU 50 Cb -0.11 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.93 1jer s GLU 50 CO 0.01 0.45 0.19 -1.64 -0.54 0.00 0.00 175.26 173.73 1jer s MET 51 N -0.46 3.07 -0.08 4.30 -1.94 0.34 -4.97 119.30 119.55 1jer s MET 51 Ca 0.30 -0.81 -0.26 0.00 -1.71 0.00 0.00 55.69 53.22 1jer s MET 51 Cb -0.19 -2.73 -0.25 0.00 2.01 0.00 0.00 34.83 33.67 1jer s MET 51 CO 0.18 0.49 0.93 0.93 -0.01 0.00 0.00 175.02 177.53 1jer h GLU 52 N 2.22 0.12 -6.48 2.03 3.07 -1.98 -3.38 114.58 110.19 1jer h GLU 52 Ca -0.48 -0.15 -0.63 0.00 -0.50 0.00 0.00 59.36 57.60 1jer h GLU 52 Cb 1.20 0.05 -0.18 0.00 -0.84 0.00 0.00 28.75 28.98 1jer h GLU 52 CO 0.64 0.97 -0.81 0.99 -1.40 0.00 0.00 179.01 179.40 1jer s THR 53 N -2.77 2.25 0.34 1.13 2.01 -1.26 -4.99 115.64 112.36 1jer s THR 53 Ca -0.17 -2.02 0.05 0.00 0.31 0.00 0.00 61.69 59.87 1jer s THR 53 Cb -0.00 -2.07 0.15 0.00 0.01 0.00 0.00 72.50 70.59 1jer s THR 53 CO 0.73 -0.16 1.87 0.50 -0.69 0.00 0.00 174.62 176.87 1jer h LYS 54 N 3.20 0.47 -0.07 4.92 3.64 -1.99 -2.44 116.57 124.30 1jer h LYS 54 Ca -0.45 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 58.81 1jer h LYS 54 Cb 1.21 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1jer h LYS 54 CO 0.49 0.53 0.02 1.96 -2.27 0.00 0.00 179.45 180.18 1jer h GLN 55 N 0.45 0.12 -0.47 1.90 7.50 -1.98 0.35 115.11 122.98 1jer h GLN 55 Ca 0.09 -0.02 -0.02 0.00 0.50 0.00 0.00 58.65 59.20 1jer h GLN 55 Cb 0.36 -0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.85 1jer h GLN 55 CO 0.01 0.28 0.22 0.77 -1.50 0.00 0.00 178.83 178.62 1jer h SER 56 N -0.07 0.61 -0.34 1.46 0.02 -1.87 -0.57 113.55 112.80 1jer h SER 56 Ca 0.02 -0.13 0.02 0.00 -0.84 0.00 0.00 61.79 60.86 1jer h SER 56 Cb 0.21 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1jer h SER 56 CO -0.00 0.57 0.19 0.15 -1.14 0.00 0.00 176.83 176.60 1jer h PHE 57 N 0.61 0.36 -0.77 3.45 3.57 -1.31 0.43 116.94 123.29 1jer h PHE 57 Ca 0.16 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 1jer h PHE 57 Cb 0.12 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 1jer h PHE 57 CO -0.01 0.21 0.41 -0.44 -2.23 0.00 0.00 178.31 176.25 1jer h ASP 58 N 0.40 0.96 0.04 0.41 3.32 0.07 -2.39 116.42 119.23 1jer h ASP 58 Ca 0.13 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1jer h ASP 58 Cb 0.01 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.31 1jer h ASP 58 CO -0.07 0.78 -0.05 0.00 -1.72 0.00 0.00 179.24 178.18 1jer n ALA 59 N -2.43 2.68 -3.88 3.45 0.00 -0.26 -4.91 120.51 115.16 1jer n ALA 59 Ca 0.08 -0.42 -0.27 0.00 0.00 0.00 0.00 53.44 52.83 1jer n ALA 59 Cb 0.11 -1.18 0.01 0.00 0.00 0.00 0.00 19.45 18.39 1jer n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jer s ASN 61 N -3.92 5.95 -0.26 0.00 3.04 -0.34 -4.95 114.94 114.46 1jer s ASN 61 Ca 0.29 -0.61 0.13 0.00 0.04 0.00 0.00 52.86 52.71 1jer s ASN 61 Cb -0.15 -2.11 0.65 0.00 -1.54 0.00 0.00 41.25 38.10 1jer s ASN 61 CO 0.85 -0.29 1.62 0.49 -3.04 0.00 0.00 177.10 176.72 1jer n PHE 62 N 5.09 1.68 0.00 0.43 3.72 -1.26 -4.59 117.46 122.54 1jer n PHE 62 Ca -0.12 -1.08 0.15 0.00 -0.05 0.00 0.00 57.45 56.34 1jer n PHE 62 Cb 0.49 -0.51 0.60 0.00 -0.94 0.00 0.00 39.48 39.12 1jer n PHE 62 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 176.76 176.47 1jer h VAL 63 N 2.30 0.84 -0.53 -4.37 3.04 -1.98 0.17 116.25 115.72 1jer h VAL 63 Ca 0.13 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.76 1jer h VAL 63 Cb 1.89 0.65 0.00 0.00 -2.01 0.00 0.00 31.29 31.82 1jer h VAL 63 CO 0.48 0.03 0.00 0.59 -1.01 0.00 0.00 177.57 177.66 1jer n ASN 64 N -4.44 4.42 -4.89 3.17 5.03 -1.26 -4.94 115.26 112.35 1jer n ASN 64 Ca 0.08 -2.51 -0.29 0.00 0.87 0.00 0.00 54.58 52.72 1jer n ASN 64 Cb 0.43 -0.57 -0.02 0.00 -1.02 0.00 0.00 39.78 38.60 1jer n ASN 64 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1jer s SER 65 N -0.77 6.42 -0.53 6.41 0.01 0.61 -5.01 113.70 120.83 1jer s SER 65 Ca 0.44 1.07 -0.18 0.00 1.31 0.00 0.00 55.95 58.59 1jer s SER 65 Cb 0.30 -2.30 0.08 0.00 0.21 0.00 0.00 66.02 64.31 1jer s SER 65 CO 0.19 -0.48 0.61 -0.62 0.41 0.00 0.00 173.24 173.35 1jer s ASP 66 N -3.52 6.20 0.00 2.44 -1.08 -1.26 -4.83 116.67 114.62 1jer s ASP 66 Ca 0.50 -1.20 0.00 0.00 -0.52 0.00 0.00 52.55 51.33 1jer s ASP 66 Cb -0.10 -2.27 0.00 0.00 -1.46 0.00 0.00 42.92 39.08 1jer s ASP 66 CO 0.37 -0.93 0.00 -0.46 0.52 0.00 0.00 175.17 174.67 1jer n ASN 67 N 6.02 0.00 0.00 -0.34 2.04 -1.26 -4.52 115.26 117.20 1jer n ASN 67 Ca -0.09 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.05 1jer n ASN 67 Cb 0.44 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.69 1jer n ASN 67 CO 0.00 0.00 0.00 -0.67 -0.44 0.00 0.00 177.26 176.15 1jer n ASP 68 N 0.00 0.00 0.00 0.53 -0.08 -1.26 -5.02 116.55 110.72 1jer n ASP 68 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1jer n ASP 68 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1jer n ASP 68 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1jer n VAL 69 N 0.00 0.00 -3.72 5.18 0.31 -1.26 -5.00 118.33 113.84 1jer n VAL 69 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.96 1jer n VAL 69 Cb 0.00 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 32.81 1jer n VAL 69 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1jer s GLU 70 N 0.00 3.81 -0.16 5.55 -1.05 -1.26 -4.94 118.70 120.65 1jer s GLU 70 Ca 0.00 -0.40 0.14 0.00 -0.15 0.00 0.00 54.97 54.56 1jer s GLU 70 Cb 0.00 -3.44 0.37 0.00 -0.44 0.00 0.00 34.13 30.62 1jer s GLU 70 CO 0.00 -0.13 1.19 0.54 0.95 0.00 0.00 175.26 177.81 1jer n ARG 71 N 4.81 1.25 -3.16 -4.83 1.74 -1.26 -4.74 116.66 110.47 1jer n ARG 71 Ca -0.15 -2.88 -0.32 0.00 -0.77 0.00 0.00 57.85 53.73 1jer n ARG 71 Cb 0.52 -1.33 -0.05 0.00 -1.02 0.00 0.00 32.46 30.57 1jer n ARG 71 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1jer s THR 72 N -2.60 4.76 0.07 0.55 -4.23 -1.26 -1.31 115.64 111.62 1jer s THR 72 Ca 0.34 0.77 0.06 0.00 -1.18 0.00 0.00 61.69 61.68 1jer s THR 72 Cb 0.34 -3.63 -0.03 0.00 1.34 0.00 0.00 72.50 70.51 1jer s THR 72 CO -0.06 -0.22 -0.17 -0.55 -0.54 0.00 0.00 174.62 173.08 1jer s SER 73 N -2.46 2.02 0.45 3.99 0.15 -1.26 -4.32 113.70 112.27 1jer s SER 73 Ca 0.52 -0.60 -0.15 0.00 0.70 0.00 0.00 55.95 56.43 1jer s SER 73 Cb -0.10 -0.10 -0.08 0.00 -1.71 0.00 0.00 66.02 64.03 1jer s SER 73 CO 0.21 0.01 0.88 -2.16 1.20 0.00 0.00 173.24 173.38 1jer s PRO 74 N -1.62 3.92 -0.21 5.44 0.04 -1.26 -4.95 135.00 136.35 1jer s PRO 74 Ca 0.02 0.77 -0.06 0.00 0.04 0.00 0.00 61.00 61.77 1jer s PRO 74 Cb -0.09 -2.26 -0.03 0.00 0.04 0.00 0.00 34.50 32.16 1jer s PRO 74 CO 0.03 -0.13 0.04 0.08 0.04 0.00 0.00 177.00 177.05 1jer s VAL 75 N -2.44 4.25 -0.19 -0.36 1.01 -0.58 -4.95 120.40 117.13 1jer s VAL 75 Ca 0.56 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.34 1jer s VAL 75 Cb -0.10 -2.94 0.02 0.00 0.00 0.00 0.00 36.38 33.36 1jer s VAL 75 CO 0.29 0.40 -0.18 -0.63 0.00 0.00 0.00 175.10 174.98 1jer s ILE 76 N 1.10 2.21 -0.12 2.22 1.01 -1.26 -0.19 121.20 126.17 1jer s ILE 76 Ca 0.03 -0.93 -0.02 0.00 0.00 0.00 0.00 60.65 59.73 1jer s ILE 76 Cb -0.14 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.34 1jer s ILE 76 CO 0.02 0.50 -0.04 -1.61 0.00 0.00 0.00 174.94 173.81 1jer s GLU 77 N 1.30 3.33 0.15 2.79 0.41 0.91 -4.90 118.70 122.69 1jer s GLU 77 Ca 0.04 -0.51 -0.23 0.00 -0.41 0.00 0.00 54.97 53.86 1jer s GLU 77 Cb -0.14 -2.81 -0.08 0.00 -1.78 0.00 0.00 34.13 29.33 1jer s GLU 77 CO -0.12 0.42 0.72 0.50 -0.49 0.00 0.00 175.26 176.30 1jer s ARG 78 N -0.13 4.45 -0.54 1.61 3.52 -1.26 -0.21 118.95 126.40 1jer s ARG 78 Ca 0.02 1.03 -0.16 0.00 -0.13 0.00 0.00 55.73 56.50 1jer s ARG 78 Cb -0.13 -3.22 0.13 0.00 -1.56 0.00 0.00 34.95 30.17 1jer s ARG 78 CO 0.03 0.57 0.49 -0.51 -0.81 0.00 0.00 175.30 175.07 1jer s LEU 79 N -1.22 6.17 0.01 -0.88 1.43 0.37 -4.86 118.68 119.70 1jer s LEU 79 Ca 0.35 -1.80 0.20 0.00 -1.03 0.00 0.00 54.13 51.84 1jer s LEU 79 Cb -0.22 -2.20 -0.20 0.00 0.03 0.00 0.00 46.19 43.61 1jer s LEU 79 CO 0.24 -0.85 0.62 0.47 0.23 0.00 0.00 176.35 177.06 1jer n ASP 80 N 5.22 0.43 -4.24 2.29 8.00 -1.26 -0.01 116.55 126.98 1jer n ASP 80 Ca -0.13 0.18 -0.19 0.00 0.71 0.00 0.00 54.79 55.36 1jer n ASP 80 Cb 0.40 0.96 -0.11 0.00 -0.02 0.00 0.00 41.12 42.35 1jer n ASP 80 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1jer s GLU 81 N -3.13 1.01 0.76 -1.24 0.41 -1.26 -4.89 118.70 110.36 1jer s GLU 81 Ca -0.05 -1.19 -0.11 0.00 -0.41 0.00 0.00 54.97 53.21 1jer s GLU 81 Cb 0.10 -0.95 0.05 0.00 -1.78 0.00 0.00 34.13 31.55 1jer s GLU 81 CO 0.84 0.19 1.08 -0.51 -0.49 0.00 0.00 175.26 176.37 1jer s LEU 82 N -2.29 2.90 0.00 1.80 1.43 -1.26 -4.76 118.68 116.50 1jer s LEU 82 Ca 0.07 1.62 0.00 0.00 -1.03 0.00 0.00 54.13 54.79 1jer s LEU 82 Cb -0.06 -4.34 0.00 0.00 0.03 0.00 0.00 46.19 41.82 1jer s LEU 82 CO 0.03 -1.88 0.00 0.61 0.23 0.00 0.00 176.35 175.34 1jer n GLY 83 N -1.64 -1.75 3.75 -3.19 0.00 -0.07 -4.88 105.19 97.42 1jer n GLY 83 Ca 0.08 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 1jer n GLY 83 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jer s MET 84 N 0.00 4.62 0.03 1.61 -1.94 -1.26 -0.82 119.30 121.54 1jer s MET 84 Ca 0.00 1.78 0.04 0.00 -1.71 0.00 0.00 55.69 55.80 1jer s MET 84 Cb 0.00 -3.22 -0.02 0.00 2.01 0.00 0.00 34.83 33.60 1jer s MET 84 CO 0.00 0.16 -0.13 -1.01 -0.01 0.00 0.00 175.02 174.03 1jer s HIS 85 N -0.84 1.13 -0.07 -0.03 3.76 0.19 -4.96 115.29 114.47 1jer s HIS 85 Ca 0.46 -0.32 0.02 0.00 -0.15 0.00 0.00 55.06 55.07 1jer s HIS 85 Cb -0.31 -0.69 0.02 0.00 1.11 0.00 0.00 32.58 32.71 1jer s HIS 85 CO 0.39 0.01 -0.11 0.71 -0.85 0.00 0.00 174.74 174.89 1jer s TYR 86 N -0.72 1.43 0.04 1.40 2.02 -1.26 -0.96 117.35 119.30 1jer s TYR 86 Ca 0.02 -0.57 0.05 0.00 -0.37 0.00 0.00 57.07 56.20 1jer s TYR 86 Cb -0.07 -1.09 -0.02 0.00 -0.40 0.00 0.00 41.96 40.38 1jer s TYR 86 CO 0.01 -0.32 -0.15 -0.06 -1.57 0.00 0.00 175.55 173.46 1jer s PHE 87 N 0.89 1.28 0.20 2.71 0.08 0.31 -0.51 117.98 122.95 1jer s PHE 87 Ca -0.10 -0.35 -0.04 0.00 0.12 0.00 0.00 56.93 56.56 1jer s PHE 87 Cb -0.15 -0.76 -0.03 0.00 -0.57 0.00 0.00 43.02 41.51 1jer s PHE 87 CO 0.01 0.04 0.20 0.14 -0.10 0.00 0.00 175.22 175.51 1jer s VAL 88 N -0.84 0.01 -0.19 -0.44 -7.23 0.18 -0.51 120.40 111.39 1jer s VAL 88 Ca 0.02 -1.86 -0.07 0.00 -1.81 0.00 0.00 61.98 58.26 1jer s VAL 88 Cb -0.08 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 1jer s VAL 88 CO 0.01 -0.04 0.06 0.00 -0.31 0.00 0.00 175.10 174.82 1jer n THR 90 N 3.68 0.71 -2.58 0.00 -2.24 -1.26 -3.46 114.28 109.13 1jer n THR 90 Ca -0.17 -0.78 -0.42 0.00 -2.27 0.00 0.00 64.05 60.42 1jer n THR 90 Cb 0.52 0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 69.26 1jer n THR 90 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1jer s VAL 91 N -1.29 4.40 0.00 2.28 1.01 -1.26 -4.91 120.40 120.63 1jer s VAL 91 Ca 0.40 1.79 0.00 0.00 0.00 0.00 0.00 61.98 64.17 1jer s VAL 91 Cb 0.22 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1jer s VAL 91 CO 0.29 0.17 0.00 0.61 0.00 0.00 0.00 175.10 176.18 1jer n GLY 92 N 2.84 2.74 1.46 4.51 0.00 -1.26 -1.51 105.19 113.96 1jer n GLY 92 Ca 0.06 0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.26 1jer n GLY 92 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jer n THR 93 N 0.00 1.95 -0.27 2.61 -2.24 -1.26 -4.66 114.28 110.41 1jer n THR 93 Ca 0.00 -1.30 -0.02 0.00 -2.27 0.00 0.00 64.05 60.46 1jer n THR 93 Cb 0.00 0.06 0.10 0.00 -2.10 0.00 0.00 70.33 68.39 1jer n THR 93 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1jer h HIS 94 N 3.61 0.86 -0.37 4.78 -0.00 -1.55 -1.64 115.15 120.85 1jer h HIS 94 Ca 0.00 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.36 1jer h HIS 94 Cb 1.46 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 28.58 1jer h HIS 94 CO 0.73 0.47 0.10 0.00 -0.00 0.00 0.00 177.93 179.23 1jer h SER 96 N 0.44 0.00 -0.43 0.00 0.02 -1.75 -0.67 113.55 111.17 1jer h SER 96 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1jer h SER 96 Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1jer h SER 96 CO -0.00 0.03 0.00 0.59 -1.14 0.00 0.00 176.83 176.31 1jer n ASN 97 N -3.40 2.65 0.00 3.07 5.03 -0.67 -4.92 115.26 117.02 1jer n ASN 97 Ca -0.02 -2.10 0.00 0.00 0.87 0.00 0.00 54.58 53.33 1jer n ASN 97 Cb 0.14 -0.35 0.00 0.00 -1.02 0.00 0.00 39.78 38.54 1jer n ASN 97 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jer n GLY 98 N 1.07 0.68 3.30 7.41 0.00 -0.26 -4.46 105.19 112.93 1jer n GLY 98 Ca 0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 1jer n GLY 98 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1jer n GLN 99 N -1.67 3.42 -3.57 1.61 7.27 -0.36 -4.72 117.38 119.37 1jer n GLN 99 Ca 0.00 -3.72 -0.16 0.00 0.07 0.00 0.00 57.00 53.20 1jer n GLN 99 Cb 0.00 -3.04 -0.06 0.00 2.41 0.00 0.00 30.24 29.55 1jer n GLN 99 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 1jer s LYS 100 N 1.42 1.00 -0.07 3.69 -2.85 -1.26 -2.58 119.74 119.08 1jer s LYS 100 Ca 0.43 -0.01 -0.03 0.00 -1.00 0.00 0.00 55.97 55.35 1jer s LYS 100 Cb 0.01 0.46 0.04 0.00 -2.06 0.00 0.00 37.83 36.28 1jer s LYS 100 CO 0.01 -0.33 0.17 -1.17 0.10 0.00 0.00 175.35 174.12 1jer s LEU 101 N -1.55 0.70 -0.07 2.77 2.96 0.34 -4.72 118.68 119.11 1jer s LEU 101 Ca -0.09 0.34 0.04 0.00 -0.22 0.00 0.00 54.13 54.20 1jer s LEU 101 Cb -0.01 0.44 0.00 0.00 0.50 0.00 0.00 46.19 47.12 1jer s LEU 101 CO 0.04 -0.15 -0.20 -0.94 -1.32 0.00 0.00 176.35 173.78 1jer s SER 102 N 1.12 2.59 0.08 3.68 1.04 -1.26 -0.53 113.70 120.43 1jer s SER 102 Ca -0.09 -0.45 0.02 0.00 0.48 0.00 0.00 55.95 55.92 1jer s SER 102 Cb -0.11 -1.02 -0.03 0.00 0.10 0.00 0.00 66.02 64.96 1jer s SER 102 CO -0.06 0.14 -0.08 0.27 0.98 0.00 0.00 173.24 174.49 1jer s ILE 103 N 0.28 0.73 -0.22 -1.02 -4.36 -0.13 -4.94 121.20 111.53 1jer s ILE 103 Ca -0.13 -1.60 -0.05 0.00 -0.26 0.00 0.00 60.65 58.62 1jer s ILE 103 Cb -0.16 -1.28 -0.01 0.00 1.25 0.00 0.00 42.46 42.26 1jer s ILE 103 CO 0.06 -0.63 -0.02 0.21 0.24 0.00 0.00 174.94 174.79 1jer s ASN 104 N -2.44 4.51 -0.20 4.36 3.04 -1.26 -0.63 114.94 122.31 1jer s ASN 104 Ca 0.04 -0.34 -0.12 0.00 0.04 0.00 0.00 52.86 52.48 1jer s ASN 104 Cb -0.02 -1.78 -0.05 0.00 -1.54 0.00 0.00 41.25 37.86 1jer s ASN 104 CO -0.02 -0.01 0.22 -0.69 -3.04 0.00 0.00 177.10 173.56 1jer s VAL 105 N 1.45 5.33 0.43 -5.21 1.01 -0.00 -4.23 120.40 119.17 1jer s VAL 105 Ca 0.05 0.36 0.07 0.00 0.00 0.00 0.00 61.98 62.46 1jer s VAL 105 Cb -0.14 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1jer s VAL 105 CO -0.01 0.37 0.22 0.68 0.00 0.00 0.00 175.10 176.35 1jer s VAL 106 N 0.76 2.28 1.06 2.92 -7.23 0.09 -0.89 120.40 119.39 1jer s VAL 106 Ca 0.12 -1.64 -0.12 0.00 -1.81 0.00 0.00 61.98 58.53 1jer s VAL 106 Cb -0.13 -2.92 0.22 0.00 0.56 0.00 0.00 36.38 34.12 1jer s VAL 106 CO 0.03 0.00 1.07 0.00 -0.31 0.00 0.00 175.10 175.89 1jer s ALA 107 N -2.60 0.44 -0.15 1.32 0.00 -1.26 -0.81 121.76 118.70 1jer s ALA 107 Ca 0.41 -0.21 0.07 0.00 0.00 0.00 0.00 51.96 52.23 1jer s ALA 107 Cb 0.02 -3.18 -0.23 0.00 0.00 0.00 0.00 23.12 19.73 1jer s ALA 107 CO 0.23 -3.21 0.25 0.00 0.00 0.00 0.00 175.76 173.03 1jer n ALA 108 N -4.46 1.34 0.77 0.00 0.00 -1.26 -4.52 120.51 112.38 1jer n ALA 108 Ca 0.05 -0.95 0.06 0.00 0.00 0.00 0.00 53.44 52.60 1jer n ALA 108 Cb 0.56 -0.48 0.36 0.00 0.00 0.00 0.00 19.45 19.89 1jer n ALA 108 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59