#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jnc n HIS 46 N -0.84 -2.49 -3.37 0.00 -0.00 -1.26 -4.89 115.22 102.37 2jnc n HIS 46 Ca -0.05 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 57.94 2jnc n HIS 46 Cb 0.62 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.48 2jnc n HIS 46 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 2jnc s ARG 47 N -1.43 2.61 0.00 1.57 3.00 -1.26 -4.70 118.95 118.74 2jnc s ARG 47 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 55.73 54.27 2jnc s ARG 47 Cb 0.00 -2.50 0.00 0.00 0.00 0.00 0.00 34.95 32.45 2jnc s ARG 47 CO 0.00 -0.26 0.00 0.25 0.00 0.00 0.00 175.30 175.29 2jnc n THR 48 N -1.68 0.00 -3.13 0.02 -2.24 -1.26 -4.97 114.28 101.02 2jnc n THR 48 Ca 0.05 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.61 2jnc n THR 48 Cb 0.61 -0.26 0.03 0.00 -2.10 0.00 0.00 70.33 68.61 2jnc n THR 48 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2jnc n THR 49 N -0.28 -1.80 -1.48 4.28 -2.24 -1.26 -4.74 114.28 106.77 2jnc n THR 49 Ca 0.00 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.92 2jnc n THR 49 Cb 0.00 -3.09 -0.04 0.00 -2.10 0.00 0.00 70.33 65.11 2jnc n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jnc n ILE 50 N -4.39 0.00 0.29 2.28 3.06 -1.26 -4.02 119.36 115.32 2jnc n ILE 50 Ca -0.08 0.00 -0.12 0.00 -2.50 0.00 0.00 62.75 60.04 2jnc n ILE 50 Cb 0.60 -0.35 -0.06 0.00 0.54 0.00 0.00 39.64 40.37 2jnc n ILE 50 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 2jnc h GLY 51 N -0.96 -0.83 -6.87 4.50 0.00 -2.01 -3.41 103.07 93.49 2jnc h GLY 51 Ca 0.02 0.31 -0.56 0.00 0.00 0.00 0.00 47.33 47.10 2jnc h GLY 51 CO 0.01 -0.30 1.03 -1.31 0.00 0.00 0.00 176.54 175.97 2jnc s ASN 52 N -4.53 6.37 -0.03 0.19 0.01 -1.26 -4.94 114.94 110.75 2jnc s ASN 52 Ca -0.12 0.50 -0.40 0.00 -0.71 0.00 0.00 52.86 52.14 2jnc s ASN 52 Cb 0.01 -2.55 -0.20 0.00 0.41 0.00 0.00 41.25 38.93 2jnc s ASN 52 CO 0.35 -1.47 1.09 0.33 -1.51 0.00 0.00 177.10 175.89 2jnc n PHE 53 N 8.73 0.70 -2.09 2.20 7.35 -1.26 -3.94 117.46 129.15 2jnc n PHE 53 Ca 0.13 1.05 -0.00 0.00 -0.76 0.00 0.00 57.45 57.87 2jnc n PHE 53 Cb 0.49 -2.08 -0.00 0.00 0.35 0.00 0.00 39.48 38.24 2jnc n PHE 53 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 2jnc n SER 54 N 1.63 -4.67 0.00 -2.13 7.64 -1.26 -5.10 113.62 109.73 2jnc n SER 54 Ca 0.20 0.71 0.00 0.00 1.01 0.00 0.00 58.87 60.79 2jnc n SER 54 Cb 0.07 -3.14 0.00 0.00 -1.01 0.00 0.00 64.21 60.13 2jnc n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jnc n GLY 55 N 0.39 0.24 2.58 0.23 0.00 -1.25 -5.11 105.19 102.27 2jnc n GLY 55 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 2jnc n GLY 55 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jnc n PRO 56 N 0.00 -1.03 -0.18 1.61 -0.04 -1.26 -5.08 135.00 129.03 2jnc n PRO 56 Ca 0.00 -1.37 -0.08 0.00 -0.04 0.00 0.00 63.50 62.02 2jnc n PRO 56 Cb 0.00 -0.94 0.07 0.00 -0.04 0.00 0.00 33.50 32.58 2jnc n PRO 56 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2jnc n TYR 57 N -3.32 -2.90 -1.53 0.54 9.36 -1.26 -4.72 117.16 113.32 2jnc n TYR 57 Ca 0.11 -0.23 -0.14 0.00 3.32 0.00 0.00 57.90 60.96 2jnc n TYR 57 Cb 0.39 -0.29 -0.10 0.00 -0.63 0.00 0.00 39.34 38.71 2jnc n TYR 57 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 2jnc n THR 58 N -3.35 0.00 -0.60 2.97 -1.04 -1.26 -4.65 114.28 106.35 2jnc n THR 58 Ca 0.04 -0.41 0.08 0.00 -2.04 0.00 0.00 64.05 61.71 2jnc n THR 58 Cb 0.15 -1.64 0.26 0.00 -1.82 0.00 0.00 70.33 67.28 2jnc n THR 58 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2jnc n TYR 59 N 16.65 1.00 -0.29 -1.42 4.01 -1.26 -3.81 117.16 132.05 2jnc n TYR 59 Ca 0.47 -0.66 0.03 0.00 -0.16 0.00 0.00 57.90 57.58 2jnc n TYR 59 Cb 0.40 -0.20 -0.02 0.00 -0.31 0.00 0.00 39.34 39.21 2jnc n TYR 59 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2jnc s ASN 61 N -4.57 3.05 -0.40 0.00 3.84 -1.26 -4.28 114.94 111.31 2jnc s ASN 61 Ca 0.00 -0.55 -0.27 0.00 0.21 0.00 0.00 52.86 52.25 2jnc s ASN 61 Cb 0.00 -0.29 -0.06 0.00 -0.55 0.00 0.00 41.25 40.35 2jnc s ASN 61 CO 0.00 0.26 2.34 -0.89 -2.79 0.00 0.00 177.10 176.02 2jnc s THR 62 N -0.76 3.01 0.11 -5.21 2.01 -1.22 -4.56 115.64 109.02 2jnc s THR 62 Ca 0.11 0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.14 2jnc s THR 62 Cb -0.10 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 2jnc s THR 62 CO 0.01 -0.02 -0.08 0.28 -0.69 0.00 0.00 174.62 174.13 2jnc s THR 63 N 10.88 0.81 -0.10 -0.82 -1.32 0.13 -4.28 115.64 120.95 2jnc s THR 63 Ca 0.98 -1.89 0.02 0.00 -1.21 0.00 0.00 61.69 59.59 2jnc s THR 63 Cb -0.22 -1.64 -0.02 0.00 -1.51 0.00 0.00 72.50 69.11 2jnc s THR 63 CO 0.29 -0.79 -0.15 -0.22 -2.21 0.00 0.00 174.62 171.54 2jnc s LEU 64 N -2.94 2.64 -0.04 9.08 0.20 -1.26 0.24 118.68 126.60 2jnc s LEU 64 Ca 0.11 -0.31 -0.29 0.00 0.69 0.00 0.00 54.13 54.33 2jnc s LEU 64 Cb 0.03 -1.56 0.11 0.00 -0.43 0.00 0.00 46.19 44.33 2jnc s LEU 64 CO -0.03 0.23 0.92 -1.81 -0.29 0.00 0.00 176.35 175.37 2jnc s ASP 65 N -0.05 -0.36 0.00 3.68 1.01 -1.25 -4.99 116.67 114.71 2jnc s ASP 65 Ca -0.03 0.08 0.00 0.00 0.71 0.00 0.00 52.55 53.30 2jnc s ASP 65 Cb -0.14 0.36 0.00 0.00 1.01 0.00 0.00 42.92 44.15 2jnc s ASP 65 CO 0.04 -0.56 0.00 0.00 0.21 0.00 0.00 175.17 174.86 2jnc n GLN 66 N -0.06 0.00 -4.49 8.23 1.13 -1.26 -4.73 117.38 116.20 2jnc n GLN 66 Ca -0.09 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.74 2jnc n GLN 66 Cb 0.61 0.00 -0.11 0.00 0.11 0.00 0.00 30.24 30.85 2jnc n GLN 66 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 2jnc s ILE 67 N 0.00 1.47 -0.87 5.09 -4.36 -1.26 -5.03 121.20 116.25 2jnc s ILE 67 Ca 0.00 -2.02 -0.05 0.00 -0.26 0.00 0.00 60.65 58.31 2jnc s ILE 67 Cb 0.00 -2.79 -0.05 0.00 1.25 0.00 0.00 42.46 40.87 2jnc s ILE 67 CO 0.00 -0.05 2.06 0.61 0.24 0.00 0.00 174.94 177.79 2jnc n GLY 68 N -0.74 3.04 2.93 6.27 0.00 -1.26 -4.80 105.19 110.63 2jnc n GLY 68 Ca -0.03 -0.80 -0.11 0.00 0.00 0.00 0.00 46.02 45.08 2jnc n GLY 68 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2jnc s THR 69 N 3.48 0.05 -0.25 2.61 -1.32 -1.26 -5.09 115.64 113.85 2jnc s THR 69 Ca 0.37 -0.38 -0.20 0.00 -1.21 0.00 0.00 61.69 60.28 2jnc s THR 69 Cb 0.10 -0.14 -0.02 0.00 -1.51 0.00 0.00 72.50 70.93 2jnc s THR 69 CO -0.03 -0.21 0.59 0.00 -2.21 0.00 0.00 174.62 172.76 2jnc s TRP 71 N 2.39 3.24 0.00 0.00 0.52 0.67 -4.86 118.94 120.89 2jnc s TRP 71 Ca 0.25 -1.34 0.00 0.00 0.02 0.00 0.00 56.10 55.03 2jnc s TRP 71 Cb -0.16 -4.00 0.00 0.00 -1.15 0.00 0.00 33.47 28.16 2jnc s TRP 71 CO 0.09 -1.24 0.00 -0.35 0.02 0.00 0.00 176.95 175.47 2jnc n PRO 72 N 5.68 0.29 -1.31 4.98 -0.04 -1.26 0.22 135.00 143.56 2jnc n PRO 72 Ca 0.03 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.13 2jnc n PRO 72 Cb 0.45 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 33.98 2jnc n PRO 72 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2jnc n GLN 73 N -0.58 0.38 0.08 0.54 3.00 -1.26 -4.43 117.38 115.11 2jnc n GLN 73 Ca 0.00 0.17 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 2jnc n GLN 73 Cb 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 30.24 28.33 2jnc n GLN 73 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2jnc n SER 74 N -0.51 -0.93 0.00 1.08 2.88 0.40 -4.97 113.62 111.57 2jnc n SER 74 Ca 0.11 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 2jnc n SER 74 Cb 0.49 1.05 0.00 0.00 -0.75 0.00 0.00 64.21 65.01 2jnc n SER 74 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jnc n ALA 75 N -2.90 0.00 -2.05 -1.46 0.00 -0.97 -4.85 120.51 108.28 2jnc n ALA 75 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2jnc n ALA 75 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2jnc n ALA 75 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jnc s PRO 76 N -2.95 4.25 -0.17 0.00 0.04 -1.25 -3.29 135.00 131.63 2jnc s PRO 76 Ca 0.00 2.20 -0.01 0.00 0.04 0.00 0.00 61.00 63.23 2jnc s PRO 76 Cb 0.00 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 31.12 2jnc s PRO 76 CO 0.00 -0.60 0.15 0.41 0.04 0.00 0.00 177.00 176.99 2jnc n GLY 77 N 3.75 0.55 2.89 0.56 0.00 0.11 -4.80 105.19 108.26 2jnc n GLY 77 Ca 0.14 -0.48 -0.27 0.00 0.00 0.00 0.00 46.02 45.41 2jnc n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jnc s ALA 78 N -3.05 1.31 -0.27 4.61 0.00 -1.21 -4.98 121.76 118.18 2jnc s ALA 78 Ca 0.04 -0.57 -0.11 0.00 0.00 0.00 0.00 51.96 51.31 2jnc s ALA 78 Cb -0.02 -0.95 -0.05 0.00 0.00 0.00 0.00 23.12 22.11 2jnc s ALA 78 CO 0.10 -0.51 0.20 -1.17 0.00 0.00 0.00 175.76 174.38 2jnc s LEU 79 N 1.72 4.05 -0.08 0.00 0.20 -1.26 -1.00 118.68 122.30 2jnc s LEU 79 Ca 0.04 0.05 -0.03 0.00 0.69 0.00 0.00 54.13 54.88 2jnc s LEU 79 Cb -0.13 -2.14 -0.04 0.00 -0.43 0.00 0.00 46.19 43.45 2jnc s LEU 79 CO -0.08 -0.03 0.05 -0.69 -0.29 0.00 0.00 176.35 175.31 2jnc s VAL 80 N 1.59 4.64 0.50 1.68 1.01 0.62 -4.88 120.40 125.57 2jnc s VAL 80 Ca 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 2jnc s VAL 80 Cb -0.15 -3.00 -0.00 0.00 0.00 0.00 0.00 36.38 33.22 2jnc s VAL 80 CO 0.09 0.56 0.77 -1.61 0.00 0.00 0.00 175.10 174.91 2jnc s GLU 81 N -1.07 3.06 -0.23 2.72 8.01 -1.26 0.18 118.70 130.11 2jnc s GLU 81 Ca 0.15 -0.25 -0.12 0.00 0.01 0.00 0.00 54.97 54.77 2jnc s GLU 81 Cb -0.12 -2.44 0.08 0.00 -4.31 0.00 0.00 34.13 27.35 2jnc s GLU 81 CO 0.05 -0.42 0.54 0.50 0.01 0.00 0.00 175.26 175.94 2jnc s ARG 82 N -4.73 0.52 0.10 1.61 6.06 0.40 -4.85 118.95 118.06 2jnc s ARG 82 Ca 0.50 1.06 -0.31 0.00 -2.50 0.00 0.00 55.73 54.48 2jnc s ARG 82 Cb -0.10 0.18 -0.07 0.00 0.06 0.00 0.00 34.95 35.02 2jnc s ARG 82 CO 0.41 -0.17 1.30 -1.25 -2.50 0.00 0.00 175.30 173.09 2jnc s PRO 83 N 1.81 4.38 0.53 5.12 0.04 -1.26 0.60 135.00 146.22 2jnc s PRO 83 Ca -0.08 1.94 -0.19 0.00 0.04 0.00 0.00 61.00 62.71 2jnc s PRO 83 Cb -0.08 -3.28 -0.11 0.00 0.04 0.00 0.00 34.50 31.07 2jnc s PRO 83 CO -0.16 -0.33 0.39 0.00 0.04 0.00 0.00 177.00 176.94 2jnc n PRO 85 N 0.38 0.01 0.00 0.00 -0.02 -1.26 -4.81 135.00 129.31 2jnc n PRO 85 Ca 0.11 1.01 0.00 0.00 -2.02 0.00 0.00 63.50 62.59 2jnc n PRO 85 Cb 0.46 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 2jnc n PRO 85 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2jnc n GLU 86 N -3.29 0.00 -3.46 -0.52 2.13 -0.70 -4.69 120.64 110.11 2jnc n GLU 86 Ca 0.26 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.80 2jnc n GLU 86 Cb 1.57 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 33.16 2jnc n GLU 86 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 2jnc s TYR 87 N 0.00 0.52 0.06 4.31 6.14 -0.69 -4.31 117.35 123.38 2jnc s TYR 87 Ca 0.00 -1.39 0.07 0.00 0.64 0.00 0.00 57.07 56.39 2jnc s TYR 87 Cb 0.00 -0.84 -0.03 0.00 0.42 0.00 0.00 41.96 41.51 2jnc s TYR 87 CO 0.00 -0.85 -0.19 -0.06 0.64 0.00 0.00 175.55 175.10 2jnc s PHE 88 N 1.30 1.61 -1.15 4.97 0.40 -0.78 -4.74 117.98 119.58 2jnc s PHE 88 Ca 0.16 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 56.10 2jnc s PHE 88 Cb -0.21 -0.93 0.00 0.00 0.51 0.00 0.00 43.02 42.39 2jnc s PHE 88 CO -0.06 0.11 0.00 0.09 0.70 0.00 0.00 175.22 176.06 2jnc n ASN 89 N 1.58 -3.97 -0.08 1.36 3.02 -1.26 0.50 115.26 116.41 2jnc n ASN 89 Ca -0.18 0.20 -0.01 0.00 -0.03 0.00 0.00 54.58 54.56 2jnc n ASN 89 Cb 0.54 -3.41 -0.00 0.00 -0.61 0.00 0.00 39.78 36.29 2jnc n ASN 89 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jnc n GLY 90 N -0.74 0.47 3.57 7.41 0.00 -1.26 -5.02 105.19 109.63 2jnc n GLY 90 Ca -0.15 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 2jnc n GLY 90 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2jnc s ILE 91 N -1.87 4.60 -0.33 -0.61 -1.16 0.18 -4.99 121.20 117.03 2jnc s ILE 91 Ca 0.00 -0.09 0.17 0.00 -0.51 0.00 0.00 60.65 60.22 2jnc s ILE 91 Cb 0.00 -3.09 0.45 0.00 0.61 0.00 0.00 42.46 40.43 2jnc s ILE 91 CO 0.00 0.42 1.10 1.17 -2.81 0.00 0.00 174.94 174.82 2jnc n LYS 92 N 3.96 1.27 -4.62 3.50 3.00 -1.26 -1.96 118.16 122.05 2jnc n LYS 92 Ca -0.16 -2.88 -0.28 0.00 -0.00 0.00 0.00 58.31 54.99 2jnc n LYS 92 Cb 0.52 -0.96 -0.10 0.00 0.00 0.00 0.00 35.03 34.50 2jnc n LYS 92 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 2jnc s TYR 93 N -2.37 2.13 -1.71 5.64 2.02 -1.26 -4.76 117.35 117.04 2jnc s TYR 93 Ca 0.25 -0.88 -0.01 0.00 -0.37 0.00 0.00 57.07 56.06 2jnc s TYR 93 Cb 0.42 -1.57 0.00 0.00 -0.40 0.00 0.00 41.96 40.41 2jnc s TYR 93 CO -0.01 0.22 0.12 0.09 -1.57 0.00 0.00 175.55 174.40 2jnc n ASN 94 N -1.05 -5.89 -2.16 2.29 3.02 -1.26 -4.69 115.26 105.51 2jnc n ASN 94 Ca -0.09 -0.07 -0.11 0.00 -0.03 0.00 0.00 54.58 54.27 2jnc n ASN 94 Cb 0.67 -4.86 -0.13 0.00 -0.61 0.00 0.00 39.78 34.84 2jnc n ASN 94 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2jnc n THR 95 N -4.12 2.50 -2.16 3.41 -2.24 -1.26 -3.73 114.28 106.67 2jnc n THR 95 Ca -0.22 -1.27 0.04 0.00 -2.27 0.00 0.00 64.05 60.33 2jnc n THR 95 Cb 0.67 -1.94 0.06 0.00 -2.10 0.00 0.00 70.33 67.02 2jnc n THR 95 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2jnc n THR 96 N 2.67 0.49 -3.98 4.28 -1.04 -1.26 -5.09 114.28 110.34 2jnc n THR 96 Ca 0.37 -1.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.12 2jnc n THR 96 Cb 0.71 0.61 0.00 0.00 -1.82 0.00 0.00 70.33 69.84 2jnc n THR 96 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2jnc n ARG 97 N 0.01 0.00 -3.92 -2.82 5.12 -1.24 -5.09 116.66 108.72 2jnc n ARG 97 Ca 0.08 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.91 2jnc n ARG 97 Cb 0.95 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 32.23 2jnc n ARG 97 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 2jnc s ASN 98 N -0.99 -0.06 0.30 0.55 0.01 -1.26 -4.65 114.94 108.85 2jnc s ASN 98 Ca 0.00 -0.89 0.11 0.00 -0.71 0.00 0.00 52.86 51.37 2jnc s ASN 98 Cb 0.00 0.70 -0.05 0.00 0.41 0.00 0.00 41.25 42.30 2jnc s ASN 98 CO 0.00 -1.33 -0.11 0.00 -1.51 0.00 0.00 177.10 174.14 2jnc s ALA 99 N -3.60 2.93 0.24 0.60 0.00 0.20 -4.35 121.76 117.78 2jnc s ALA 99 Ca 0.17 -1.91 0.01 0.00 0.00 0.00 0.00 51.96 50.23 2jnc s ALA 99 Cb -0.04 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 2jnc s ALA 99 CO 0.10 0.19 0.15 0.71 0.00 0.00 0.00 175.76 176.91 2jnc s TYR 100 N -2.51 1.35 -0.29 0.00 2.02 -1.22 0.15 117.35 116.86 2jnc s TYR 100 Ca 0.32 -1.39 -0.15 0.00 -0.37 0.00 0.00 57.07 55.47 2jnc s TYR 100 Cb -0.03 -0.66 0.10 0.00 -0.40 0.00 0.00 41.96 40.98 2jnc s TYR 100 CO 0.17 -0.62 0.76 0.50 -1.57 0.00 0.00 175.55 174.79 2jnc s ARG 101 N -4.00 0.60 -0.12 -0.62 3.00 0.48 -3.12 118.95 115.18 2jnc s ARG 101 Ca 0.39 1.11 -0.04 0.00 -1.00 0.00 0.00 55.73 56.18 2jnc s ARG 101 Cb 0.06 0.23 -0.04 0.00 0.00 0.00 0.00 34.95 35.20 2jnc s ARG 101 CO 0.15 -0.14 0.04 -2.00 0.00 0.00 0.00 175.30 173.35 2jnc s GLU 102 N 1.76 3.36 -0.20 5.12 2.56 -1.16 0.23 118.70 130.37 2jnc s GLU 102 Ca -0.09 -0.35 0.08 0.00 0.00 0.00 0.00 54.97 54.60 2jnc s GLU 102 Cb -0.06 -2.97 0.54 0.00 2.00 0.00 0.00 34.13 33.64 2jnc s GLU 102 CO -0.19 0.57 1.42 0.00 -0.56 0.00 0.00 175.26 176.51 2jnc n LEU 104 N 0.18 -1.04 0.00 0.00 -0.00 -1.19 -1.46 117.00 113.49 2jnc n LEU 104 Ca 0.24 1.97 0.07 0.00 -0.00 0.00 0.00 56.01 58.29 2jnc n LEU 104 Cb 1.00 -2.72 0.35 0.00 -0.00 0.00 0.00 43.42 42.04 2jnc n LEU 104 CO 0.27 -1.01 0.69 -1.84 -0.00 0.00 0.00 177.39 175.50 2jnc n GLU 105 N -3.12 0.16 0.03 1.96 0.28 -1.26 0.06 120.64 118.75 2jnc n GLU 105 Ca -0.03 0.17 0.11 0.00 -0.16 0.00 0.00 57.16 57.25 2jnc n GLU 105 Cb 0.42 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.71 2jnc n GLU 105 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2jnc n ASN 106 N -1.33 0.43 0.00 -1.84 4.05 -1.26 -4.35 115.26 110.97 2jnc n ASN 106 Ca 0.06 -0.06 0.00 0.00 0.45 0.00 0.00 54.58 55.03 2jnc n ASN 106 Cb 0.12 1.25 0.00 0.00 1.23 0.00 0.00 39.78 42.38 2jnc n ASN 106 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2jnc n GLY 107 N 1.29 0.75 3.28 8.20 0.00 -0.95 -4.83 105.19 112.92 2jnc n GLY 107 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 2jnc n GLY 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jnc s THR 108 N -2.00 2.61 -0.08 2.61 -4.23 -0.53 -3.52 115.64 110.50 2jnc s THR 108 Ca 0.00 -0.80 -0.41 0.00 -1.18 0.00 0.00 61.69 59.30 2jnc s THR 108 Cb 0.00 -2.08 -0.20 0.00 1.34 0.00 0.00 72.50 71.56 2jnc s THR 108 CO 0.00 0.53 1.16 0.79 -0.54 0.00 0.00 174.62 176.56 2jnc n TRP 109 N 3.80 0.83 1.85 3.99 7.02 -1.25 -3.20 117.44 130.49 2jnc n TRP 109 Ca -0.19 1.07 0.14 0.00 -1.02 0.00 0.00 57.50 57.51 2jnc n TRP 109 Cb 0.52 -2.11 0.76 0.00 -2.42 0.00 0.00 31.31 28.06 2jnc n TRP 109 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2jnc n ALA 110 N 1.92 2.64 0.00 6.99 0.00 0.28 -4.79 120.51 127.55 2jnc n ALA 110 Ca 0.22 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2jnc n ALA 110 Cb 0.06 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.12 2jnc n ALA 110 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jnc n SER 111 N -0.65 0.00 -4.68 0.00 3.41 -1.26 -4.95 113.62 105.50 2jnc n SER 111 Ca 0.21 0.00 -0.48 0.00 -0.26 0.00 0.00 58.87 58.33 2jnc n SER 111 Cb 0.16 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.07 2jnc n SER 111 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2jnc n ARG 112 N 0.00 2.07 -3.79 4.33 0.63 -1.26 -4.93 116.66 113.70 2jnc n ARG 112 Ca 0.00 0.75 -0.30 0.00 -0.92 0.00 0.00 57.85 57.38 2jnc n ARG 112 Cb 0.00 -2.56 -0.15 0.00 0.45 0.00 0.00 32.46 30.20 2jnc n ARG 112 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 2jnc s VAL 113 N 3.02 1.16 -0.70 5.15 -7.23 -1.25 -2.99 120.40 117.56 2jnc s VAL 113 Ca 0.89 -1.59 -0.23 0.00 -1.81 0.00 0.00 61.98 59.24 2jnc s VAL 113 Cb -0.72 -1.87 -0.18 0.00 0.56 0.00 0.00 36.38 34.17 2jnc s VAL 113 CO 0.48 -0.66 1.89 -3.20 -0.31 0.00 0.00 175.10 173.31 2jnc n ASN 114 N 4.73 2.37 -0.19 4.85 2.85 -1.18 -4.26 115.26 124.42 2jnc n ASN 114 Ca -0.01 -2.66 0.04 0.00 -0.11 0.00 0.00 54.58 51.84 2jnc n ASN 114 Cb 0.42 -1.07 0.05 0.00 1.24 0.00 0.00 39.78 40.43 2jnc n ASN 114 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jnc n TYR 115 N 7.88 0.00 -0.15 1.20 4.11 -1.26 -3.38 117.16 125.56 2jnc n TYR 115 Ca 0.49 -0.47 -0.04 0.00 -0.00 0.00 0.00 57.90 57.89 2jnc n TYR 115 Cb 0.41 -0.08 0.05 0.00 -0.00 0.00 0.00 39.34 39.72 2jnc n TYR 115 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.86 177.63 2jnc h SER 116 N 0.00 0.15 0.57 9.48 0.02 -1.87 0.32 113.55 122.21 2jnc h SER 116 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2jnc h SER 116 Cb 1.05 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.64 2jnc h SER 116 CO 0.00 0.12 0.00 1.41 -1.14 0.00 0.00 176.83 177.22 2jnc n HIS 117 N -5.02 0.43 -0.04 3.45 8.25 -1.26 -2.83 115.22 118.20 2jnc n HIS 117 Ca 0.04 0.17 -0.16 0.00 -0.26 0.00 0.00 57.72 57.52 2jnc n HIS 117 Cb 0.19 -0.78 -0.07 0.00 1.12 0.00 0.00 29.99 30.45 2jnc n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jnc n GLU 119 N -4.07 -2.54 -1.62 0.00 2.13 -1.13 -4.75 120.64 108.65 2jnc n GLU 119 Ca -0.07 1.98 -0.49 0.00 0.66 0.00 0.00 57.16 59.24 2jnc n GLU 119 Cb 0.66 -3.00 -0.05 0.00 0.27 0.00 0.00 31.44 29.31 2jnc n GLU 119 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 2jnc n PRO 120 N -3.90 1.58 0.00 5.31 -0.04 -1.26 -5.01 135.00 131.68 2jnc n PRO 120 Ca -0.05 0.57 0.00 0.00 -0.04 0.00 0.00 63.50 63.98 2jnc n PRO 120 Cb 0.54 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 2jnc n PRO 120 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97