#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kct n ALA 44 N 0.00 2.20 -1.90 3.04 0.00 -1.26 -5.02 120.51 117.57 2kct n ALA 44 Ca 0.00 -1.06 -0.42 0.00 0.00 0.00 0.00 53.44 51.96 2kct n ALA 44 Cb 0.00 -0.39 -0.03 0.00 0.00 0.00 0.00 19.45 19.03 2kct n ALA 44 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2kct s THR 45 N -0.98 3.34 -0.39 0.00 -4.23 -1.26 -4.90 115.64 107.23 2kct s THR 45 Ca 0.20 0.33 0.04 0.00 -1.18 0.00 0.00 61.69 61.09 2kct s THR 45 Cb 0.11 -3.51 0.40 0.00 1.34 0.00 0.00 72.50 70.83 2kct s THR 45 CO 0.14 -0.35 1.36 -0.81 -0.54 0.00 0.00 174.62 174.42 2kct n PRO 46 N 8.60 2.28 -2.84 3.99 -0.04 -1.26 -4.85 135.00 140.87 2kct n PRO 46 Ca 0.25 -1.66 -0.22 0.00 -0.04 0.00 0.00 63.50 61.83 2kct n PRO 46 Cb 0.47 -1.75 0.02 0.00 -0.04 0.00 0.00 33.50 32.20 2kct n PRO 46 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2kct n GLN 47 N -0.09 -4.01 0.12 0.54 3.00 -1.26 -4.91 117.38 110.78 2kct n GLN 47 Ca 0.25 0.93 -0.02 0.00 -0.01 0.00 0.00 57.00 58.15 2kct n GLN 47 Cb 0.98 -5.71 0.11 0.00 0.00 0.00 0.00 30.24 25.63 2kct n GLN 47 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.06 177.44 2kct h ASP 48 N -1.02 0.00 -0.20 1.08 2.03 -1.98 -3.47 116.42 112.85 2kct h ASP 48 Ca -0.51 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 55.70 2kct h ASP 48 Cb 1.36 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.83 2kct h ASP 48 CO 0.57 0.68 -0.08 0.29 -1.03 0.00 0.00 179.24 179.66 2kct n LYS 49 N -3.61 -1.28 -0.11 4.15 5.02 -1.26 -4.81 118.16 116.26 2kct n LYS 49 Ca -0.01 0.54 0.05 0.00 -2.02 0.00 0.00 58.31 56.88 2kct n LYS 49 Cb 0.69 -4.61 0.11 0.00 -0.02 0.00 0.00 35.03 31.20 2kct n LYS 49 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2kct n LEU 50 N -0.49 2.54 -0.00 -0.35 4.77 -1.26 -4.43 117.00 117.78 2kct n LEU 50 Ca -0.04 -1.69 -0.13 0.00 -0.03 0.00 0.00 56.01 54.12 2kct n LEU 50 Cb 0.39 -0.15 -0.10 0.00 -2.33 0.00 0.00 43.42 41.23 2kct n LEU 50 CO 0.07 0.60 0.60 -0.74 -1.33 0.00 0.00 177.39 176.59 2kct h HIS 51 N 1.89 -0.04 -3.63 -1.77 2.76 -1.96 -3.40 115.15 109.01 2kct h HIS 51 Ca 0.00 -0.00 -0.67 0.00 -2.20 0.00 0.00 60.37 57.50 2kct h HIS 51 Cb 0.62 0.01 -0.24 0.00 1.55 0.00 0.00 27.41 29.36 2kct h HIS 51 CO 0.15 0.46 -0.60 0.99 -1.30 0.00 0.00 177.93 177.63 2kct s THR 52 N -4.12 4.27 -0.01 6.26 2.01 -1.26 -4.81 115.64 117.98 2kct s THR 52 Ca -0.16 -0.49 -0.02 0.00 0.31 0.00 0.00 61.69 61.33 2kct s THR 52 Cb 0.01 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.33 2kct s THR 52 CO 0.65 0.12 0.12 -0.69 -0.69 0.00 0.00 174.62 174.13 2kct s VAL 53 N 1.56 5.01 -0.18 3.82 1.01 -0.02 -4.87 120.40 126.74 2kct s VAL 53 Ca 0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 2kct s VAL 53 Cb -0.17 -3.30 -0.00 0.00 0.00 0.00 0.00 36.38 32.91 2kct s VAL 53 CO 0.04 0.36 -0.13 -0.60 0.00 0.00 0.00 175.10 174.78 2kct s ARG 54 N -1.75 3.23 0.08 2.72 3.52 -1.26 -1.62 118.95 123.87 2kct s ARG 54 Ca 0.24 -0.72 0.08 0.00 -0.13 0.00 0.00 55.73 55.19 2kct s ARG 54 Cb -0.12 -2.73 -0.04 0.00 -1.56 0.00 0.00 34.95 30.51 2kct s ARG 54 CO 0.15 -0.07 -0.19 -0.51 -0.81 0.00 0.00 175.30 173.87 2kct s LEU 55 N 1.06 2.63 -0.22 -0.88 1.43 -0.43 -4.98 118.68 117.28 2kct s LEU 55 Ca -0.00 -0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 52.59 2kct s LEU 55 Cb -0.15 -1.51 0.06 0.00 0.03 0.00 0.00 46.19 44.62 2kct s LEU 55 CO -0.03 0.22 -0.00 -0.36 0.23 0.00 0.00 176.35 176.41 2kct s PHE 56 N -1.02 1.77 0.00 0.29 0.40 -1.26 -1.77 117.98 116.39 2kct s PHE 56 Ca 0.16 -1.38 0.00 0.00 -0.60 0.00 0.00 56.93 55.11 2kct s PHE 56 Cb -0.10 -1.37 0.00 0.00 0.51 0.00 0.00 43.02 42.06 2kct s PHE 56 CO 0.07 -0.71 0.00 0.41 0.70 0.00 0.00 175.22 175.69 2kct n GLY 57 N 4.84 3.74 3.43 4.36 0.00 -1.09 -4.34 105.19 116.13 2kct n GLY 57 Ca -0.10 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 2kct n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kct s THR 58 N -2.05 2.64 -0.22 2.61 2.01 -0.52 -1.06 115.64 119.05 2kct s THR 58 Ca 0.00 -1.29 -0.28 0.00 0.31 0.00 0.00 61.69 60.43 2kct s THR 58 Cb 0.00 -2.11 0.01 0.00 0.01 0.00 0.00 72.50 70.41 2kct s THR 58 CO 0.00 0.31 1.00 -0.69 -0.69 0.00 0.00 174.62 174.55 2kct s VAL 59 N -0.93 4.72 0.20 3.82 1.01 -0.36 -0.66 120.40 128.20 2kct s VAL 59 Ca 0.14 1.95 -0.31 0.00 0.00 0.00 0.00 61.98 63.76 2kct s VAL 59 Cb -0.10 -4.28 -0.11 0.00 0.00 0.00 0.00 36.38 31.89 2kct s VAL 59 CO 0.05 -0.15 1.63 0.00 0.00 0.00 0.00 175.10 176.64 2kct s ALA 60 N 3.04 3.84 0.29 5.51 0.00 -1.18 -1.16 121.76 132.09 2kct s ALA 60 Ca 0.43 1.49 0.14 0.00 0.00 0.00 0.00 51.96 54.01 2kct s ALA 60 Cb -0.15 -3.65 0.61 0.00 0.00 0.00 0.00 23.12 19.92 2kct s ALA 60 CO 0.07 -0.86 1.74 0.00 0.00 0.00 0.00 175.76 176.70 2kct h ALA 61 N 6.47 1.13 -0.95 0.00 0.00 -1.94 -2.73 119.26 121.24 2kct h ALA 61 Ca -0.43 -0.41 -0.62 0.00 0.00 0.00 0.00 54.91 53.44 2kct h ALA 61 Cb 1.21 -0.07 -0.36 0.00 0.00 0.00 0.00 17.79 18.56 2kct h ALA 61 CO 0.91 0.57 0.01 -0.25 0.00 0.00 0.00 179.25 180.49 2kct n ASP 62 N -3.83 6.20 -2.68 0.00 8.00 -1.26 -4.65 116.55 118.33 2kct n ASP 62 Ca -0.01 -3.77 -0.05 0.00 0.71 0.00 0.00 54.79 51.66 2kct n ASP 62 Cb 0.50 -0.66 0.06 0.00 -0.02 0.00 0.00 41.12 41.00 2kct n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kct n GLY 63 N -0.74 0.15 2.75 0.44 0.00 -1.03 -5.08 105.19 101.67 2kct n GLY 63 Ca 0.51 0.03 -0.28 0.00 0.00 0.00 0.00 46.02 46.28 2kct n GLY 63 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kct s LEU 64 N -2.50 1.42 -0.21 0.99 0.20 -1.23 -1.75 118.68 115.60 2kct s LEU 64 Ca 0.14 -0.97 -0.02 0.00 0.69 0.00 0.00 54.13 53.97 2kct s LEU 64 Cb 0.24 -0.67 0.00 0.00 -0.43 0.00 0.00 46.19 45.33 2kct s LEU 64 CO -0.07 -0.32 -0.09 -0.89 -0.29 0.00 0.00 176.35 174.70 2kct s THR 65 N 1.80 2.97 0.29 3.68 2.01 -0.17 -5.02 115.64 121.19 2kct s THR 65 Ca 0.00 -0.67 -0.26 0.00 0.31 0.00 0.00 61.69 61.08 2kct s THR 65 Cb -0.17 -2.35 -0.09 0.00 0.01 0.00 0.00 72.50 69.90 2kct s THR 65 CO -0.11 0.43 0.91 -0.04 -0.69 0.00 0.00 174.62 175.12 2kct s MET 66 N 1.41 4.58 0.09 4.92 -1.94 -1.26 -1.08 119.30 126.02 2kct s MET 66 Ca 0.05 1.28 -0.30 0.00 -1.71 0.00 0.00 55.69 55.01 2kct s MET 66 Cb -0.14 -2.89 -0.06 0.00 2.01 0.00 0.00 34.83 33.75 2kct s MET 66 CO -0.06 0.34 1.12 -0.51 -0.01 0.00 0.00 175.02 175.90 2kct s LEU 67 N -1.89 4.41 -0.12 -0.03 1.43 -1.09 -4.89 118.68 116.50 2kct s LEU 67 Ca 0.47 1.96 -0.07 0.00 -1.03 0.00 0.00 54.13 55.47 2kct s LEU 67 Cb -0.20 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 2kct s LEU 67 CO 0.25 -0.34 0.13 -1.81 0.23 0.00 0.00 176.35 174.81 2kct s ASP 68 N 0.65 6.32 -1.73 2.29 1.01 -1.26 -4.27 116.67 119.68 2kct s ASP 68 Ca 0.54 0.44 0.00 0.00 0.71 0.00 0.00 52.55 54.24 2kct s ASP 68 Cb -0.28 -2.04 0.00 0.00 1.01 0.00 0.00 42.92 41.62 2kct s ASP 68 CO 0.31 0.40 0.00 0.61 0.21 0.00 0.00 175.17 176.69 2kct n GLY 69 N 2.07 1.63 3.64 0.21 0.00 -1.26 -4.96 105.19 106.52 2kct n GLY 69 Ca -0.20 -0.23 -0.06 0.00 0.00 0.00 0.00 46.02 45.54 2kct n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kct s ALA 70 N -2.59 -1.98 -0.06 4.61 0.00 -1.26 -5.15 121.76 115.34 2kct s ALA 70 Ca 0.00 2.38 -0.30 0.00 0.00 0.00 0.00 51.96 54.04 2kct s ALA 70 Cb 0.00 -1.51 -0.05 0.00 0.00 0.00 0.00 23.12 21.56 2kct s ALA 70 CO 0.00 -0.41 1.49 -1.25 0.00 0.00 0.00 175.76 175.58 2kct s PRO 71 N 1.67 4.22 0.00 0.00 0.04 -1.26 -4.54 135.00 135.13 2kct s PRO 71 Ca -0.09 2.01 0.00 0.00 0.04 0.00 0.00 61.00 62.95 2kct s PRO 71 Cb -0.05 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.70 2kct s PRO 71 CO -0.19 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 176.53 2kct n GLY 72 N 3.86 -0.51 3.60 0.56 0.00 -0.98 -1.11 105.19 110.61 2kct n GLY 72 Ca 0.15 -1.57 -0.14 0.00 0.00 0.00 0.00 46.02 44.46 2kct n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kct s VAL 73 N -2.23 -0.00 -0.06 1.61 0.11 -0.12 -2.67 120.40 117.03 2kct s VAL 73 Ca 0.00 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.07 2kct s VAL 73 Cb 0.00 -0.96 -0.03 0.00 -1.53 0.00 0.00 36.38 33.87 2kct s VAL 73 CO 0.00 0.00 -0.10 -0.60 -3.33 0.00 0.00 175.10 171.07 2kct s ARG 74 N 0.40 2.66 0.01 1.54 3.52 -0.24 -1.24 118.95 125.61 2kct s ARG 74 Ca -0.00 -0.60 -0.21 0.00 -0.13 0.00 0.00 55.73 54.79 2kct s ARG 74 Cb -0.05 -2.51 0.04 0.00 -1.56 0.00 0.00 34.95 30.87 2kct s ARG 74 CO 0.00 0.64 0.46 -0.59 -0.81 0.00 0.00 175.30 175.01 2kct s PHE 75 N -0.77 -0.36 -0.47 5.12 -0.71 -0.87 -1.00 117.98 118.93 2kct s PHE 75 Ca 0.12 0.47 -0.19 0.00 -1.04 0.00 0.00 56.93 56.29 2kct s PHE 75 Cb -0.11 0.25 0.04 0.00 -1.21 0.00 0.00 43.02 42.00 2kct s PHE 75 CO 0.01 -0.55 0.57 -0.98 -1.34 0.00 0.00 175.22 172.94 2kct s ARG 76 N -1.92 3.14 -0.29 1.99 1.70 -0.72 0.16 118.95 123.02 2kct s ARG 76 Ca -0.09 -0.80 -0.29 0.00 -0.47 0.00 0.00 55.73 54.09 2kct s ARG 76 Cb -0.02 -4.05 -0.01 0.00 -0.57 0.00 0.00 34.95 30.31 2kct s ARG 76 CO 0.02 -1.09 1.44 -1.17 -1.08 0.00 0.00 175.30 173.42 2kct s LEU 77 N 2.50 3.84 -1.07 -1.89 2.96 -0.04 -3.12 118.68 121.86 2kct s LEU 77 Ca 0.15 1.31 -0.21 0.00 -0.22 0.00 0.00 54.13 55.16 2kct s LEU 77 Cb -0.18 -3.54 0.07 0.00 0.50 0.00 0.00 46.19 43.04 2kct s LEU 77 CO 0.13 -1.20 1.46 -1.61 -1.32 0.00 0.00 176.35 173.81 2kct s GLU 78 N 4.48 3.69 -0.69 1.98 2.02 0.16 -3.61 118.70 126.74 2kct s GLU 78 Ca 0.63 -1.45 -0.26 0.00 0.02 0.00 0.00 54.97 53.91 2kct s GLU 78 Cb -0.19 -5.32 -0.09 0.00 0.10 0.00 0.00 34.13 28.63 2kct s GLU 78 CO 0.27 -2.14 2.28 -0.51 0.02 0.00 0.00 175.26 175.18 2kct s ASP 79 N 4.55 4.40 -1.16 -0.19 1.11 -1.26 -1.44 116.67 122.67 2kct s ASP 79 Ca 0.46 0.31 -0.15 0.00 0.18 0.00 0.00 52.55 53.35 2kct s ASP 79 Cb 0.00 -2.53 -0.02 0.00 1.07 0.00 0.00 42.92 41.44 2kct s ASP 79 CO -0.06 -3.23 0.78 1.17 1.18 0.00 0.00 175.17 175.01 2kct n LYS 80 N 8.93 -1.95 -2.47 8.23 4.81 -1.26 -2.82 118.16 131.63 2kct n LYS 80 Ca 0.40 0.53 -0.17 0.00 -0.87 0.00 0.00 58.31 58.20 2kct n LYS 80 Cb 0.49 -4.53 0.00 0.00 0.02 0.00 0.00 35.03 31.01 2kct n LYS 80 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2kct n ASP 81 N -2.82 -5.07 -2.18 3.14 9.92 -1.22 -4.91 116.55 113.41 2kct n ASP 81 Ca -0.13 -0.08 -0.17 0.00 -0.53 0.00 0.00 54.79 53.88 2kct n ASP 81 Cb 0.61 -4.09 -0.13 0.00 -0.64 0.00 0.00 41.12 36.87 2kct n ASP 81 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2kct n ASN 82 N -1.36 5.69 0.32 -2.24 6.94 -1.13 -4.68 115.26 118.81 2kct n ASN 82 Ca -0.17 -2.73 0.20 0.00 -0.02 0.00 0.00 54.58 51.86 2kct n ASN 82 Cb 0.64 -1.36 1.09 0.00 -2.36 0.00 0.00 39.78 37.79 2kct n ASN 82 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kct h THR 83 N 2.01 0.19 -0.00 5.53 1.03 -1.91 -0.31 112.91 119.45 2kct h THR 83 Ca 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.67 2kct h THR 83 Cb 1.23 0.97 0.00 0.00 -1.07 0.00 0.00 68.15 69.29 2kct h THR 83 CO 0.47 0.00 -0.19 -1.20 -0.01 0.00 0.00 175.52 174.58 2kct n SER 84 N -3.35 0.49 -2.69 0.00 7.64 -1.26 -4.22 113.62 110.22 2kct n SER 84 Ca -0.03 -0.39 -0.06 0.00 1.01 0.00 0.00 58.87 59.40 2kct n SER 84 Cb 0.10 -0.04 0.11 0.00 -1.01 0.00 0.00 64.21 63.37 2kct n SER 84 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2kct n LYS 85 N -1.10 1.23 -2.54 1.43 2.85 -0.15 -5.14 118.16 114.74 2kct n LYS 85 Ca 0.11 -2.00 -0.41 0.00 -1.05 0.00 0.00 58.31 54.96 2kct n LYS 85 Cb 0.31 -0.20 -0.04 0.00 -0.65 0.00 0.00 35.03 34.44 2kct n LYS 85 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2kct s THR 86 N -0.44 3.84 -0.15 0.58 -4.23 -1.03 -5.00 115.64 109.21 2kct s THR 86 Ca 0.21 1.66 -0.08 0.00 -1.18 0.00 0.00 61.69 62.30 2kct s THR 86 Cb 0.41 -4.06 -0.04 0.00 1.34 0.00 0.00 72.50 70.15 2kct s THR 86 CO -0.07 0.32 0.13 -0.69 -0.54 0.00 0.00 174.62 173.76 2kct s VAL 87 N -0.50 5.38 0.74 2.29 1.01 -1.24 -4.89 120.40 123.20 2kct s VAL 87 Ca 0.47 0.17 -0.11 0.00 0.00 0.00 0.00 61.98 62.51 2kct s VAL 87 Cb -0.29 -3.39 0.04 0.00 0.00 0.00 0.00 36.38 32.74 2kct s VAL 87 CO 0.36 0.54 1.08 0.26 0.00 0.00 0.00 175.10 177.33 2kct s TRP 88 N -0.41 2.97 -0.11 5.22 0.52 -0.30 -0.86 118.94 125.96 2kct s TRP 88 Ca 0.12 1.32 -0.03 0.00 0.02 0.00 0.00 56.10 57.52 2kct s TRP 88 Cb -0.12 -2.99 0.04 0.00 -1.15 0.00 0.00 33.47 29.26 2kct s TRP 88 CO 0.01 -1.49 0.05 0.08 0.02 0.00 0.00 176.95 175.63 2kct s VAL 89 N -3.08 0.10 -0.65 4.03 1.01 0.12 -0.28 120.40 121.65 2kct s VAL 89 Ca 0.59 0.01 -0.19 0.00 0.00 0.00 0.00 61.98 62.39 2kct s VAL 89 Cb -0.14 -0.51 0.11 0.00 0.00 0.00 0.00 36.38 35.83 2kct s VAL 89 CO 0.55 -0.02 0.80 -0.22 0.00 0.00 0.00 175.10 176.21 2kct s LEU 90 N 2.07 5.23 -0.21 3.92 2.96 -0.14 -2.05 118.68 130.47 2kct s LEU 90 Ca 0.03 -1.48 -0.14 0.00 -0.22 0.00 0.00 54.13 52.32 2kct s LEU 90 Cb -0.14 -2.33 -0.04 0.00 0.50 0.00 0.00 46.19 44.18 2kct s LEU 90 CO -0.06 -1.15 0.33 -0.47 -1.32 0.00 0.00 176.35 173.68 2kct s TYR 91 N 2.83 3.36 -0.20 5.38 5.04 -0.37 -0.96 117.35 132.42 2kct s TYR 91 Ca 0.16 0.50 0.01 0.00 -2.44 0.00 0.00 57.07 55.30 2kct s TYR 91 Cb -0.20 -2.45 0.03 0.00 0.35 0.00 0.00 41.96 39.69 2kct s TYR 91 CO 0.05 0.01 -0.17 0.15 -1.34 0.00 0.00 175.55 174.25 2kct s LYS 92 N 1.23 2.83 0.00 4.97 1.02 -1.26 -0.95 119.74 127.58 2kct s LYS 92 Ca 0.16 -0.95 0.00 0.00 0.02 0.00 0.00 55.97 55.20 2kct s LYS 92 Cb -0.14 -2.68 0.00 0.00 -0.52 0.00 0.00 37.83 34.49 2kct s LYS 92 CO 0.07 -0.30 0.00 0.41 -0.92 0.00 0.00 175.35 174.61 2kct n GLY 93 N 4.59 -0.10 3.63 -3.33 0.00 -0.26 -4.93 105.19 104.79 2kct n GLY 93 Ca -0.19 -1.48 -0.43 0.00 0.00 0.00 0.00 46.02 43.92 2kct n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kct s ALA 94 N -1.00 3.31 0.00 4.61 0.00 -1.26 -2.31 121.76 125.11 2kct s ALA 94 Ca 0.00 0.44 -0.30 0.00 0.00 0.00 0.00 51.96 52.10 2kct s ALA 94 Cb 0.00 -3.83 -0.03 0.00 0.00 0.00 0.00 23.12 19.26 2kct s ALA 94 CO 0.00 -1.89 0.96 0.08 0.00 0.00 0.00 175.76 174.91 2kct s VAL 95 N 5.01 4.86 0.50 0.00 1.01 -1.26 -5.00 120.40 125.52 2kct s VAL 95 Ca 0.69 2.02 -0.23 0.00 0.00 0.00 0.00 61.98 64.46 2kct s VAL 95 Cb -0.24 -4.30 -0.06 0.00 0.00 0.00 0.00 36.38 31.77 2kct s VAL 95 CO 0.28 0.17 1.37 -2.16 0.00 0.00 0.00 175.10 174.76 2kct s PRO 96 N 0.94 3.41 0.44 2.72 0.04 -1.26 -4.93 135.00 136.36 2kct s PRO 96 Ca 0.51 2.27 0.19 0.00 0.04 0.00 0.00 61.00 64.01 2kct s PRO 96 Cb -0.21 -2.43 1.01 0.00 0.04 0.00 0.00 34.50 32.91 2kct s PRO 96 CO 0.27 -0.98 1.92 0.22 0.04 0.00 0.00 177.00 178.47 2kct h ASP 97 N 1.86 0.00 1.36 6.66 3.58 -2.00 -2.17 116.42 125.71 2kct h ASP 97 Ca -0.51 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.94 2kct h ASP 97 Cb 1.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.33 2kct h ASP 97 CO 0.59 0.25 0.00 0.35 -2.88 0.00 0.00 179.24 177.55 2kct n THR 98 N -3.87 0.60 -2.09 2.25 -2.24 -1.26 -4.78 114.28 102.90 2kct n THR 98 Ca -0.02 -0.21 -0.42 0.00 -2.27 0.00 0.00 64.05 61.13 2kct n THR 98 Cb 0.34 -0.65 -0.03 0.00 -2.10 0.00 0.00 70.33 67.89 2kct n THR 98 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2kct s PHE 99 N -3.12 2.14 0.13 4.78 5.36 -0.82 -4.93 117.98 121.52 2kct s PHE 99 Ca 0.10 0.35 -0.14 0.00 -0.96 0.00 0.00 56.93 56.27 2kct s PHE 99 Cb 0.12 -3.84 0.02 0.00 -0.34 0.00 0.00 43.02 38.99 2kct s PHE 99 CO 0.57 -3.45 0.37 -1.59 -1.46 0.00 0.00 175.22 169.66 2kct s LYS 100 N 3.94 1.08 -0.28 10.12 -2.85 -1.26 -4.97 119.74 125.53 2kct s LYS 100 Ca 0.70 -0.81 -0.28 0.00 -1.00 0.00 0.00 55.97 54.58 2kct s LYS 100 Cb -0.31 0.45 -0.03 0.00 -2.06 0.00 0.00 37.83 35.88 2kct s LYS 100 CO 0.27 -0.42 1.84 -1.25 0.10 0.00 0.00 175.35 175.89 2kct s PRO 101 N -3.84 3.42 0.00 1.78 0.04 -1.26 -2.73 135.00 132.41 2kct s PRO 101 Ca 0.05 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.70 2kct s PRO 101 Cb 0.02 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.37 2kct s PRO 101 CO -0.10 -1.76 0.00 0.41 0.04 0.00 0.00 177.00 175.59 2kct n GLY 102 N 5.32 1.42 3.81 0.56 0.00 -0.31 -4.74 105.19 111.25 2kct n GLY 102 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 2kct n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kct s VAL 103 N -2.03 4.37 0.20 1.61 0.11 -1.10 -4.75 120.40 118.81 2kct s VAL 103 Ca 0.00 1.53 -0.26 0.00 -2.93 0.00 0.00 61.98 60.33 2kct s VAL 103 Cb 0.00 -3.66 -0.08 0.00 -1.53 0.00 0.00 36.38 31.11 2kct s VAL 103 CO 0.00 -0.25 0.81 -1.61 -3.33 0.00 0.00 175.10 170.72 2kct s GLU 104 N -3.01 4.58 0.28 1.54 2.02 -1.26 -1.22 118.70 121.63 2kct s GLU 104 Ca 0.60 1.20 0.03 0.00 0.02 0.00 0.00 54.97 56.82 2kct s GLU 104 Cb -0.10 -3.17 -0.06 0.00 0.10 0.00 0.00 34.13 30.89 2kct s GLU 104 CO 0.15 0.51 0.04 0.14 0.02 0.00 0.00 175.26 176.12 2kct s VAL 105 N -1.24 1.04 -0.08 2.63 -7.23 -0.22 -1.02 120.40 114.28 2kct s VAL 105 Ca 0.39 -2.02 -0.00 0.00 -1.81 0.00 0.00 61.98 58.54 2kct s VAL 105 Cb -0.22 -2.62 0.02 0.00 0.56 0.00 0.00 36.38 34.12 2kct s VAL 105 CO 0.26 -0.11 -0.04 -0.63 -0.31 0.00 0.00 175.10 174.27 2kct s ILE 106 N -3.41 0.68 -0.02 -0.62 1.01 0.35 -2.68 121.20 116.51 2kct s ILE 106 Ca 0.34 -0.10 0.06 0.00 0.00 0.00 0.00 60.65 60.95 2kct s ILE 106 Cb 0.07 -0.74 -0.01 0.00 0.01 0.00 0.00 42.46 41.79 2kct s ILE 106 CO 0.13 0.30 -0.20 0.27 0.00 0.00 0.00 174.94 175.44 2kct s ILE 107 N 1.57 1.58 -0.11 2.92 -4.36 -0.73 -1.99 121.20 120.08 2kct s ILE 107 Ca 0.00 -0.85 0.01 0.00 -0.26 0.00 0.00 60.65 59.55 2kct s ILE 107 Cb -0.13 -1.31 -0.02 0.00 1.25 0.00 0.00 42.46 42.25 2kct s ILE 107 CO -0.04 0.45 -0.14 -0.70 0.24 0.00 0.00 174.94 174.74 2kct s GLU 108 N -0.43 3.15 0.00 0.37 2.56 -1.24 -1.32 118.70 121.80 2kct s GLU 108 Ca 0.07 -0.70 0.00 0.00 0.00 0.00 0.00 54.97 54.34 2kct s GLU 108 Cb -0.08 -2.55 0.00 0.00 2.00 0.00 0.00 34.13 33.50 2kct s GLU 108 CO -0.00 0.31 0.00 0.41 -0.56 0.00 0.00 175.26 175.42 2kct n GLY 109 N 3.22 -0.82 3.59 -1.50 0.00 -0.64 -0.38 105.19 108.65 2kct n GLY 109 Ca -0.18 -0.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 2kct n GLY 109 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kct s GLY 110 N 0.00 -0.54 -0.07 -0.02 0.00 -0.60 -0.84 107.32 105.25 2kct s GLY 110 Ca 0.00 2.06 -0.16 0.00 0.00 0.00 0.00 44.72 46.62 2kct s GLY 110 CO 0.00 1.90 0.42 -2.27 0.00 0.00 0.00 173.10 173.15 2kct s LEU 111 N 0.84 4.36 0.20 0.66 2.96 -1.26 -1.24 118.68 125.20 2kct s LEU 111 Ca -0.04 0.84 -0.14 0.00 -0.22 0.00 0.00 54.13 54.57 2kct s LEU 111 Cb -0.05 -2.60 -0.08 0.00 0.50 0.00 0.00 46.19 43.96 2kct s LEU 111 CO -0.07 0.16 0.61 0.00 -1.32 0.00 0.00 176.35 175.73 2kct s ALA 112 N -0.15 3.51 -0.04 5.97 0.00 -1.26 -4.99 121.76 124.79 2kct s ALA 112 Ca 0.24 -0.08 -0.30 0.00 0.00 0.00 0.00 51.96 51.82 2kct s ALA 112 Cb -0.16 -2.60 -0.06 0.00 0.00 0.00 0.00 23.12 20.31 2kct s ALA 112 CO 0.11 0.42 1.67 -2.14 0.00 0.00 0.00 175.76 175.82 2kct s PRO 113 N -2.28 4.18 0.00 0.00 0.02 -1.26 -2.00 135.00 133.67 2kct s PRO 113 Ca 0.43 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.67 2kct s PRO 113 Cb -0.14 -3.98 0.00 0.00 0.02 0.00 0.00 34.50 30.40 2kct s PRO 113 CO 0.20 -0.84 0.00 0.41 -0.33 0.00 0.00 177.00 176.43 2kct n GLY 114 N 4.14 0.75 3.90 0.52 0.00 -1.26 -5.07 105.19 108.17 2kct n GLY 114 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 2kct n GLY 114 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kct s GLU 115 N -0.49 3.34 -0.13 1.61 0.41 -0.85 -5.02 118.70 117.58 2kct s GLU 115 Ca 0.00 -0.53 0.16 0.00 -0.41 0.00 0.00 54.97 54.19 2kct s GLU 115 Cb 0.00 -2.96 0.58 0.00 -1.78 0.00 0.00 34.13 29.97 2kct s GLU 115 CO 0.00 0.58 1.49 -0.40 -0.49 0.00 0.00 175.26 176.44 2kct n ASP 116 N 0.10 4.19 -3.74 -0.19 5.75 -1.26 -4.84 116.55 116.56 2kct n ASP 116 Ca -0.06 -2.64 -0.27 0.00 -0.01 0.00 0.00 54.79 51.81 2kct n ASP 116 Cb 0.52 -0.51 -0.17 0.00 -1.03 0.00 0.00 41.12 39.93 2kct n ASP 116 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2kct s THR 117 N -2.17 0.50 -0.43 2.12 -1.32 -1.26 -1.15 115.64 111.93 2kct s THR 117 Ca 0.43 -0.44 -0.29 0.00 -1.21 0.00 0.00 61.69 60.18 2kct s THR 117 Cb 0.30 -0.95 0.01 0.00 -1.51 0.00 0.00 72.50 70.35 2kct s THR 117 CO 0.16 -0.13 1.43 0.12 -2.21 0.00 0.00 174.62 173.99 2kct s PHE 118 N 1.88 2.35 -0.75 9.09 2.19 0.61 -4.41 117.98 128.94 2kct s PHE 118 Ca 0.00 0.65 -0.26 0.00 0.33 0.00 0.00 56.93 57.65 2kct s PHE 118 Cb -0.16 -4.31 0.02 0.00 -1.31 0.00 0.00 43.02 37.25 2kct s PHE 118 CO -0.08 -2.03 1.43 0.15 1.83 0.00 0.00 175.22 176.52 2kct s LYS 119 N 5.07 3.10 0.85 10.12 1.02 -0.37 -0.96 119.74 138.57 2kct s LYS 119 Ca 0.61 -0.17 -0.11 0.00 0.02 0.00 0.00 55.97 56.32 2kct s LYS 119 Cb -0.14 -4.36 0.10 0.00 -0.52 0.00 0.00 37.83 32.92 2kct s LYS 119 CO 0.32 -2.30 1.09 0.00 -0.92 0.00 0.00 175.35 173.54 2kct s ALA 120 N 6.42 1.82 0.00 5.17 0.00 -0.13 -1.55 121.76 133.48 2kct s ALA 120 Ca 0.43 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.41 2kct s ALA 120 Cb -0.08 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.83 2kct s ALA 120 CO 0.13 -2.12 0.00 -2.13 0.00 0.00 0.00 175.76 171.64 2kct n ARG 121 N -3.73 1.05 -4.29 0.00 0.63 0.49 -4.65 116.66 106.16 2kct n ARG 121 Ca 0.08 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.85 2kct n ARG 121 Cb 0.55 -0.87 -0.10 0.00 0.45 0.00 0.00 32.46 32.48 2kct n ARG 121 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2kct s THR 122 N -1.74 0.95 -0.26 5.15 -4.23 -0.93 -4.99 115.64 109.58 2kct s THR 122 Ca 0.00 -2.02 -0.07 0.00 -1.18 0.00 0.00 61.69 58.41 2kct s THR 122 Cb 0.00 -2.19 0.12 0.00 1.34 0.00 0.00 72.50 71.77 2kct s THR 122 CO 0.00 -0.44 0.55 -0.22 -0.54 0.00 0.00 174.62 173.97 2kct s LEU 123 N -3.24 -0.97 0.03 4.79 2.96 -1.26 -3.59 118.68 117.40 2kct s LEU 123 Ca 0.25 1.19 0.01 0.00 -0.22 0.00 0.00 54.13 55.36 2kct s LEU 123 Cb 0.05 1.88 -0.02 0.00 0.50 0.00 0.00 46.19 48.60 2kct s LEU 123 CO 0.06 -0.24 -0.06 0.00 -1.32 0.00 0.00 176.35 174.80 2kct s MET 124 N 2.77 0.41 0.08 1.98 0.23 -0.84 -4.75 119.30 119.18 2kct s MET 124 Ca 0.00 -0.58 -0.14 0.00 -1.03 0.00 0.00 55.69 53.94 2kct s MET 124 Cb -0.13 -0.18 -0.06 0.00 -1.53 0.00 0.00 34.83 32.93 2kct s MET 124 CO -0.17 0.03 0.49 0.95 -2.03 0.00 0.00 175.02 174.29 2kct s THR 125 N -1.12 4.92 0.34 3.16 -4.23 -1.26 -0.50 115.64 116.95 2kct s THR 125 Ca -0.09 0.83 0.12 0.00 -1.18 0.00 0.00 61.69 61.37 2kct s THR 125 Cb -0.08 -3.74 0.06 0.00 1.34 0.00 0.00 72.50 70.08 2kct s THR 125 CO -0.00 0.39 1.77 0.11 -0.54 0.00 0.00 174.62 176.35 2kct h LYS 126 N 4.05 0.01 -6.13 3.99 1.57 -1.39 -3.39 116.57 115.28 2kct h LYS 126 Ca -0.50 -0.01 -0.59 0.00 -1.87 0.00 0.00 60.65 57.68 2kct h LYS 126 Cb 1.20 -0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.41 2kct h LYS 126 CO 0.64 0.45 0.66 0.00 -0.57 0.00 0.00 179.45 180.63 2kct s PRO 128 N 4.09 2.67 0.06 0.00 0.02 -1.26 -4.97 135.00 135.61 2kct s PRO 128 Ca 0.36 1.00 -0.30 0.00 0.02 0.00 0.00 61.00 62.07 2kct s PRO 128 Cb -0.10 -1.96 -0.09 0.00 0.02 0.00 0.00 34.50 32.37 2kct s PRO 128 CO 0.23 -1.30 1.77 -1.17 -0.33 0.00 0.00 177.00 176.21 2kct s LEU 129 N -5.68 4.38 0.00 -5.54 2.96 -1.26 -5.11 118.68 108.44 2kct s LEU 129 Ca 0.59 2.57 0.09 0.00 -0.22 0.00 0.00 54.13 57.16 2kct s LEU 129 Cb -0.15 -3.55 0.53 0.00 0.50 0.00 0.00 46.19 43.51 2kct s LEU 129 CO 0.55 -0.96 0.98 -1.84 -1.32 0.00 0.00 176.35 173.76