#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2x h GLU 2 N 0.00 0.53 -0.56 3.52 4.57 -1.60 -2.81 114.58 118.22 2k2x h GLU 2 Ca 0.00 -0.37 -0.04 0.00 -1.18 0.00 0.00 59.36 57.77 2k2x h GLU 2 Cb 0.00 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 2k2x h GLU 2 CO 0.00 0.99 0.20 0.00 -1.18 0.00 0.00 179.01 179.02 2k2x h VAL 4 N 0.81 1.29 -0.61 0.00 2.07 -1.78 -1.55 116.25 116.48 2k2x h VAL 4 Ca 0.19 -1.27 -0.03 0.00 0.82 0.00 0.00 66.70 66.41 2k2x h VAL 4 Cb 0.19 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 2k2x h VAL 4 CO -0.01 0.41 0.28 0.28 0.02 0.00 0.00 177.57 178.55 2k2x h SER 5 N 0.43 0.81 0.55 0.57 0.02 -1.24 -2.41 113.55 112.28 2k2x h SER 5 Ca 0.07 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 2k2x h SER 5 Cb 0.69 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 2k2x h SER 5 CO 0.05 0.72 -0.06 0.11 -1.14 0.00 0.00 176.83 176.51 2k2x h LYS 6 N 0.84 0.00 0.00 3.45 1.79 -1.35 -3.47 116.57 117.82 2k2x h LYS 6 Ca 0.21 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 2k2x h LYS 6 Cb 0.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 2k2x h LYS 6 CO -0.02 0.06 0.00 0.41 -1.08 0.00 0.00 179.45 178.82 2k2x n GLY 7 N -0.46 0.67 3.51 3.86 0.00 -0.91 -5.10 105.19 106.76 2k2x n GLY 7 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2k2x n GLY 7 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2k2x n PHE 8 N -2.00 -3.91 -4.21 1.61 0.99 -0.62 -4.97 117.46 104.35 2k2x n PHE 8 Ca 0.00 -1.02 -0.26 0.00 -0.00 0.00 0.00 57.45 56.17 2k2x n PHE 8 Cb 0.00 -1.07 -0.07 0.00 -1.00 0.00 0.00 39.48 37.34 2k2x n PHE 8 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 2k2x s GLY 9 N -4.85 2.43 -0.62 1.37 0.00 -1.18 -4.47 107.32 100.00 2k2x s GLY 9 Ca 0.70 -1.84 0.05 0.00 0.00 0.00 0.00 44.72 43.63 2k2x s GLY 9 CO 0.52 -1.96 0.92 0.00 0.00 0.00 0.00 173.10 172.58 2k2x s LEU 11 N -3.18 3.31 0.78 0.00 2.01 -1.24 -4.83 118.68 115.54 2k2x s LEU 11 Ca 0.46 1.95 -0.11 0.00 0.01 0.00 0.00 54.13 56.43 2k2x s LEU 11 Cb 0.23 -4.54 0.06 0.00 0.01 0.00 0.00 46.19 41.95 2k2x s LEU 11 CO -0.09 -1.70 1.09 -2.16 1.01 0.00 0.00 176.35 174.49 2k2x s PRO 12 N -4.29 2.18 0.57 1.29 0.04 -1.26 -3.95 135.00 129.57 2k2x s PRO 12 Ca 0.65 1.11 0.33 0.00 0.04 0.00 0.00 61.00 63.12 2k2x s PRO 12 Cb -0.19 -1.89 1.74 0.00 0.04 0.00 0.00 34.50 34.19 2k2x s PRO 12 CO 0.45 -1.68 2.16 1.96 0.04 0.00 0.00 177.00 179.93 2k2x h GLN 13 N -1.15 0.00 0.71 4.56 4.20 -1.91 -1.16 115.11 120.35 2k2x h GLN 13 Ca -0.44 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.23 2k2x h GLN 13 Cb 1.24 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.02 2k2x h GLN 13 CO 0.52 0.06 -0.35 1.03 -0.67 0.00 0.00 178.83 179.42 2k2x h SER 14 N 0.00 -0.82 0.08 1.46 0.87 -2.01 -3.38 113.55 109.75 2k2x h SER 14 Ca -0.00 0.03 -0.23 0.00 -1.23 0.00 0.00 61.79 60.36 2k2x h SER 14 Cb 0.22 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 2k2x h SER 14 CO 0.01 -0.58 -1.17 0.44 -0.53 0.00 0.00 176.83 174.99 2k2x h ASP 15 N -0.96 0.27 -2.67 6.23 3.45 -1.87 -3.45 116.42 117.42 2k2x h ASP 15 Ca -0.10 -0.82 -0.54 0.00 0.43 0.00 0.00 57.03 56.01 2k2x h ASP 15 Cb 0.74 -0.09 0.02 0.00 -0.56 0.00 0.00 39.33 39.43 2k2x h ASP 15 CO 0.15 1.51 1.01 0.00 -1.57 0.00 0.00 179.24 180.34 2k2x s PRO 17 N 2.87 1.85 0.00 0.00 0.04 -1.26 -4.74 135.00 133.75 2k2x s PRO 17 Ca 0.74 1.09 0.28 0.00 0.04 0.00 0.00 61.00 63.15 2k2x s PRO 17 Cb -0.39 -1.86 1.67 0.00 0.04 0.00 0.00 34.50 33.96 2k2x s PRO 17 CO 0.32 -1.91 2.03 1.04 0.04 0.00 0.00 177.00 178.52 2k2x n GLN 18 N -3.69 0.85 -0.10 4.56 6.02 -1.26 -3.12 117.38 120.63 2k2x n GLN 18 Ca 0.09 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.96 2k2x n GLN 18 Cb 0.54 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 30.18 2k2x n GLN 18 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 2k2x n GLU 19 N -1.02 0.84 0.07 -1.09 0.28 -1.26 -4.42 120.64 114.04 2k2x n GLU 19 Ca 0.21 0.06 0.11 0.00 -0.16 0.00 0.00 57.16 57.38 2k2x n GLU 19 Cb 0.11 -1.45 0.44 0.00 1.43 0.00 0.00 31.44 31.97 2k2x n GLU 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2k2x n ALA 20 N -2.91 1.85 -2.02 -1.84 0.00 -1.18 -4.83 120.51 109.58 2k2x n ALA 20 Ca -0.34 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.68 2k2x n ALA 20 Cb 0.99 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 19.05 2k2x n ALA 20 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k2x s ARG 21 N -3.15 4.19 0.72 0.00 0.52 -1.24 -1.30 118.95 118.69 2k2x s ARG 21 Ca 0.07 2.19 -0.08 0.00 -0.52 0.00 0.00 55.73 57.39 2k2x s ARG 21 Cb 0.11 -3.89 0.06 0.00 0.52 0.00 0.00 34.95 31.75 2k2x s ARG 21 CO 0.41 -0.80 1.05 -0.51 0.02 0.00 0.00 175.30 175.46 2k2x s LEU 22 N 3.68 2.77 0.22 2.53 1.43 -1.26 -4.97 118.68 123.08 2k2x s LEU 22 Ca 0.72 0.54 0.24 0.00 -1.03 0.00 0.00 54.13 54.61 2k2x s LEU 22 Cb -0.34 -3.17 0.44 0.00 0.03 0.00 0.00 46.19 43.16 2k2x s LEU 22 CO 0.30 -1.64 1.48 0.77 0.23 0.00 0.00 176.35 177.49 2k2x h SER 23 N -0.68 0.00 -4.02 2.29 4.64 -1.97 -3.47 113.55 110.35 2k2x h SER 23 Ca -0.45 -0.08 -0.45 0.00 -0.47 0.00 0.00 61.79 60.35 2k2x h SER 23 Cb 1.32 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 63.56 2k2x h SER 23 CO 0.62 0.04 0.27 -0.31 -0.87 0.00 0.00 176.83 176.57 2k2x s TYR 24 N -3.18 1.94 0.38 4.77 4.12 -1.26 -5.12 117.35 118.99 2k2x s TYR 24 Ca 0.07 0.73 0.04 0.00 0.02 0.00 0.00 57.07 57.93 2k2x s TYR 24 Cb 0.11 -3.48 -0.02 0.00 -1.52 0.00 0.00 41.96 37.05 2k2x s TYR 24 CO 0.68 -2.78 0.16 0.41 0.02 0.00 0.00 175.55 174.04 2k2x n GLY 25 N -2.01 3.23 0.00 0.71 0.00 -1.26 -4.79 105.19 101.07 2k2x n GLY 25 Ca 0.09 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 44.03 2k2x n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k2x n GLY 26 N -0.67 1.58 3.50 -0.02 0.00 -1.26 -1.57 105.19 106.74 2k2x n GLY 26 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 2k2x n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2x n SER 28 N -1.47 0.84 0.05 0.00 7.64 -1.26 -4.87 113.62 114.55 2k2x n SER 28 Ca -0.09 -0.73 0.00 0.00 1.01 0.00 0.00 58.87 59.06 2k2x n SER 28 Cb 0.63 1.14 0.00 0.00 -1.01 0.00 0.00 64.21 64.97 2k2x n SER 28 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2k2x n THR 29 N -1.51 0.03 -3.47 0.44 -2.24 -1.26 -5.16 114.28 101.11 2k2x n THR 29 Ca 0.02 0.01 -0.15 0.00 -2.27 0.00 0.00 64.05 61.66 2k2x n THR 29 Cb 0.29 -0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 68.24 2k2x n THR 29 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2k2x s VAL 30 N -1.32 0.00 0.57 2.28 0.11 -1.25 -4.93 120.40 115.86 2k2x s VAL 30 Ca 0.00 -0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 58.96 2k2x s VAL 30 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 2k2x s VAL 30 CO 0.00 -0.00 0.94 0.00 -3.33 0.00 0.00 175.10 172.71 2k2x s ASP 33 N 2.43 5.25 0.17 0.00 3.68 -0.42 -3.10 116.67 124.68 2k2x s ASP 33 Ca 0.02 0.27 0.25 0.00 2.13 0.00 0.00 52.55 55.22 2k2x s ASP 33 Cb -0.12 -2.53 0.91 0.00 -1.45 0.00 0.00 42.92 39.73 2k2x s ASP 33 CO -0.09 -2.41 1.77 0.18 0.13 0.00 0.00 175.17 174.75 2k2x n LEU 34 N 12.86 0.58 0.10 -1.34 4.77 -1.26 -2.46 117.00 130.25 2k2x n LEU 34 Ca 0.22 0.58 0.12 0.00 -0.03 0.00 0.00 56.01 56.90 2k2x n LEU 34 Cb 0.52 -0.42 0.22 0.00 -2.33 0.00 0.00 43.42 41.41 2k2x n LEU 34 CO 0.70 -0.23 0.53 -1.28 -1.33 0.00 0.00 177.39 175.78 2k2x h SER 35 N 0.00 0.00 0.00 -1.43 0.87 -1.96 -3.36 113.55 107.67 2k2x h SER 35 Ca 0.00 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 2k2x h SER 35 Cb 0.58 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 2k2x h SER 35 CO 0.00 0.05 -0.31 2.29 -0.53 0.00 0.00 176.83 178.33 2k2x n LYS 36 N -2.35 0.26 -0.34 2.24 2.85 -1.24 -4.88 118.16 114.70 2k2x n LYS 36 Ca 0.04 -1.08 -0.03 0.00 -1.05 0.00 0.00 58.31 56.19 2k2x n LYS 36 Cb 0.46 -0.63 0.09 0.00 -0.65 0.00 0.00 35.03 34.31 2k2x n LYS 36 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 2k2x h LEU 37 N 0.00 1.07 -8.74 -5.58 6.46 -1.63 -3.46 115.31 103.42 2k2x h LEU 37 Ca 0.00 -0.04 -0.30 0.00 -0.12 0.00 0.00 57.88 57.42 2k2x h LEU 37 Cb 1.23 -0.27 -0.15 0.00 -0.73 0.00 0.00 40.66 40.75 2k2x h LEU 37 CO 0.00 0.78 -0.64 0.28 -0.62 0.00 0.00 178.44 178.25 2k2x s THR 38 N -6.09 0.51 0.00 1.05 -1.32 -1.26 -5.03 115.64 103.49 2k2x s THR 38 Ca -0.13 -1.99 0.00 0.00 -1.21 0.00 0.00 61.69 58.36 2k2x s THR 38 Cb 0.17 -2.39 0.00 0.00 -1.51 0.00 0.00 72.50 68.77 2k2x s THR 38 CO 0.81 -0.21 0.00 0.61 -2.21 0.00 0.00 174.62 173.62 2k2x n GLY 39 N -0.34 2.73 0.44 6.08 0.00 -1.26 -4.97 105.19 107.88 2k2x n GLY 39 Ca -0.03 -0.52 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 2k2x n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2x n LYS 41 N -5.11 0.12 0.00 0.00 4.76 -1.26 -1.58 118.16 115.10 2k2x n LYS 41 Ca -0.11 0.45 0.12 0.00 -2.87 0.00 0.00 58.31 55.91 2k2x n LYS 41 Cb 0.41 -1.79 0.64 0.00 -1.84 0.00 0.00 35.03 32.45 2k2x n LYS 41 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k2x n GLY 42 N -0.49 -1.08 0.00 0.72 0.00 -0.98 -3.55 105.19 99.81 2k2x n GLY 42 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2k2x n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k2x n LYS 43 N -1.26 2.58 0.00 1.61 4.76 -1.13 -4.82 118.16 119.90 2k2x n LYS 43 Ca 0.12 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 2k2x n LYS 43 Cb 0.19 -0.73 0.00 0.00 -1.84 0.00 0.00 35.03 32.65 2k2x n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k2x n GLY 44 N 1.56 1.13 3.69 0.72 0.00 -1.22 -4.90 105.19 106.16 2k2x n GLY 44 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2k2x n GLY 44 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k2x s GLY 45 N -1.55 1.99 0.05 -0.02 0.00 -0.61 -4.73 107.32 102.44 2k2x s GLY 45 Ca 0.00 0.76 -0.09 0.00 0.00 0.00 0.00 44.72 45.39 2k2x s GLY 45 CO 0.00 1.18 0.18 1.85 0.00 0.00 0.00 173.10 176.31 2k2x s GLU 46 N -4.32 0.71 -0.34 2.90 2.56 -0.94 -4.78 118.70 114.48 2k2x s GLU 46 Ca 0.71 -0.71 -0.09 0.00 0.00 0.00 0.00 54.97 54.88 2k2x s GLU 46 Cb -0.27 0.29 0.02 0.00 2.00 0.00 0.00 34.13 36.17 2k2x s GLU 46 CO 0.53 -0.20 0.15 0.00 -0.56 0.00 0.00 175.26 175.17 2k2x s ASN 48 N 1.51 0.32 0.89 0.00 2.20 -0.67 -4.97 114.94 114.24 2k2x s ASN 48 Ca 0.02 -0.74 -0.11 0.00 -0.94 0.00 0.00 52.86 51.09 2k2x s ASN 48 Cb -0.19 0.19 0.13 0.00 -2.00 0.00 0.00 41.25 39.39 2k2x s ASN 48 CO 0.05 -0.52 1.11 -2.16 -2.94 0.00 0.00 177.10 172.65 2k2x s PRO 49 N -3.00 1.25 0.50 3.55 0.04 -1.26 -0.85 135.00 135.22 2k2x s PRO 49 Ca -0.02 1.31 0.33 0.00 0.04 0.00 0.00 61.00 62.66 2k2x s PRO 49 Cb 0.01 -1.77 1.51 0.00 0.04 0.00 0.00 34.50 34.29 2k2x s PRO 49 CO -0.07 -2.39 1.99 -0.07 0.04 0.00 0.00 177.00 176.50 2k2x h LEU 50 N -1.68 0.00 -1.82 -3.56 3.38 -1.62 -2.15 115.31 107.86 2k2x h LEU 50 Ca -0.45 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 2k2x h LEU 50 Cb 1.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 2k2x h LEU 50 CO 0.46 0.00 -0.08 0.44 0.09 0.00 0.00 178.44 179.35 2k2x h ASP 51 N 0.00 0.00 -3.12 -0.43 3.32 -1.91 -3.42 116.42 110.86 2k2x h ASP 51 Ca 0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 2k2x h ASP 51 Cb 0.33 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.83 2k2x h ASP 51 CO 0.00 0.08 0.71 -0.60 -1.72 0.00 0.00 179.24 177.72 2k2x s ARG 52 N -3.93 4.33 -0.51 3.56 6.06 -0.81 -4.99 118.95 122.67 2k2x s ARG 52 Ca -0.01 1.48 -0.27 0.00 -2.50 0.00 0.00 55.73 54.42 2k2x s ARG 52 Cb 0.11 -3.61 -0.02 0.00 0.06 0.00 0.00 34.95 31.50 2k2x s ARG 52 CO 0.55 -0.49 1.79 -0.65 -2.50 0.00 0.00 175.30 173.99 2k2x s GLN 53 N 2.63 2.95 0.35 5.12 -0.21 -1.26 -4.92 119.66 124.32 2k2x s GLN 53 Ca 0.49 0.88 -0.17 0.00 0.02 0.00 0.00 55.36 56.58 2k2x s GLN 53 Cb -0.19 -4.29 0.04 0.00 1.00 0.00 0.00 33.01 29.57 2k2x s GLN 53 CO 0.15 -2.34 0.76 0.00 -2.12 0.00 0.00 175.29 171.74 2k2x s LYS 55 N -2.88 4.70 -0.15 0.00 2.20 -1.26 -5.07 119.74 117.28 2k2x s LYS 55 Ca 0.14 1.53 -0.06 0.00 -0.36 0.00 0.00 55.97 57.22 2k2x s LYS 55 Cb -0.05 -3.10 -0.04 0.00 -1.51 0.00 0.00 37.83 33.13 2k2x s LYS 55 CO 0.10 0.35 0.06 -2.00 -0.36 0.00 0.00 175.35 173.50 2k2x s GLU 56 N -1.52 3.72 -0.08 4.03 -6.30 -1.26 -4.65 118.70 112.63 2k2x s GLU 56 Ca 0.45 -0.33 -0.00 0.00 -2.50 0.00 0.00 54.97 52.59 2k2x s GLU 56 Cb -0.25 -3.13 0.03 0.00 0.00 0.00 0.00 34.13 30.77 2k2x s GLU 56 CO 0.32 0.43 -0.04 -0.48 0.02 0.00 0.00 175.26 175.51 2k2x s LEU 57 N -0.07 0.94 0.37 2.70 2.34 -1.26 -5.05 118.68 118.66 2k2x s LEU 57 Ca 0.06 -0.17 0.27 0.00 0.06 0.00 0.00 54.13 54.35 2k2x s LEU 57 Cb -0.12 -0.58 1.29 0.00 -0.56 0.00 0.00 46.19 46.22 2k2x s LEU 57 CO 0.01 -0.14 1.80 1.56 -1.06 0.00 0.00 176.35 178.53 2k2x h GLN 58 N 8.02 0.00 0.00 1.48 4.20 -1.99 -0.92 115.11 125.90 2k2x h GLN 58 Ca -0.26 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.40 2k2x h GLN 58 Cb 1.13 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.91 2k2x h GLN 58 CO 0.35 0.00 -0.21 0.00 -0.67 0.00 0.00 178.83 178.30 2k2x h ALA 59 N 2.09 1.10 0.00 3.87 0.00 -2.01 -3.36 119.26 120.95 2k2x h ALA 59 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2k2x h ALA 59 Cb 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2k2x h ALA 59 CO 0.00 0.26 -0.04 0.39 0.00 0.00 0.00 179.25 179.86 2k2x n GLU 60 N -3.49 0.04 0.22 0.00 -0.58 -1.02 -4.81 120.64 111.00 2k2x n GLU 60 Ca -0.01 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.79 2k2x n GLU 60 Cb 0.38 -0.52 0.50 0.00 -0.57 0.00 0.00 31.44 31.23 2k2x n GLU 60 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2k2x h SER 61 N 0.00 0.00 0.13 1.62 0.87 -1.40 -1.67 113.55 113.09 2k2x h SER 61 Ca 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 2k2x h SER 61 Cb 0.04 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 2k2x h SER 61 CO 0.00 0.21 -0.22 0.00 -0.53 0.00 0.00 176.83 176.29 2k2x h ALA 62 N 1.79 1.43 0.07 6.23 0.00 -1.75 -1.75 119.26 125.28 2k2x h ALA 62 Ca -0.00 -0.26 -0.25 0.00 0.00 0.00 0.00 54.91 54.40 2k2x h ALA 62 Cb 0.38 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2k2x h ALA 62 CO 0.03 0.40 -1.12 0.77 0.00 0.00 0.00 179.25 179.32 2k2x h SER 63 N 0.17 0.27 -0.19 0.00 0.02 -1.67 -3.20 113.55 108.94 2k2x h SER 63 Ca 0.03 -0.28 -0.05 0.00 -0.84 0.00 0.00 61.79 60.65 2k2x h SER 63 Cb 0.49 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 2k2x h SER 63 CO 0.03 1.21 -0.01 0.00 -1.14 0.00 0.00 176.83 176.91 2k2x n GLY 65 N -0.90 -0.84 3.70 0.00 0.00 -0.67 -4.76 105.19 101.72 2k2x n GLY 65 Ca 0.01 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 2k2x n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k2x s LYS 66 N -1.92 4.15 0.00 1.61 -2.85 -1.26 -2.73 119.74 116.75 2k2x s LYS 66 Ca 0.00 2.53 0.00 0.00 -1.00 0.00 0.00 55.97 57.50 2k2x s LYS 66 Cb 0.00 -3.49 0.00 0.00 -2.06 0.00 0.00 37.83 32.28 2k2x s LYS 66 CO 0.00 -0.79 0.00 0.41 0.10 0.00 0.00 175.35 175.07 2k2x n GLY 67 N 4.12 2.54 3.30 0.59 0.00 -1.26 -5.08 105.19 109.40 2k2x n GLY 67 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 2k2x n GLY 67 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k2x s GLN 68 N -0.29 1.68 0.29 1.61 0.00 -1.10 -1.78 119.66 120.07 2k2x s GLN 68 Ca 0.00 -1.97 -0.10 0.00 -0.00 0.00 0.00 55.36 53.29 2k2x s GLN 68 Cb 0.00 0.17 0.00 0.00 0.00 0.00 0.00 33.01 33.18 2k2x s GLN 68 CO 0.00 -0.57 0.50 -1.59 0.00 0.00 0.00 175.29 173.63 2k2x s LYS 69 N -3.62 1.72 0.17 9.60 -2.85 -0.03 -4.59 119.74 120.13 2k2x s LYS 69 Ca 0.38 -1.43 -0.11 0.00 -1.00 0.00 0.00 55.97 53.81 2k2x s LYS 69 Cb 0.03 0.47 -0.07 0.00 -2.06 0.00 0.00 37.83 36.21 2k2x s LYS 69 CO 0.23 -0.72 0.51 0.00 0.10 0.00 0.00 175.35 175.47 2k2x s VAL 72 N -3.91 1.70 0.28 0.00 1.01 -1.26 -2.22 120.40 115.99 2k2x s VAL 72 Ca 0.09 -1.94 0.02 0.00 0.00 0.00 0.00 61.98 60.15 2k2x s VAL 72 Cb 0.06 -1.82 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 2k2x s VAL 72 CO -0.08 -0.40 0.07 -2.67 0.00 0.00 0.00 175.10 172.02 2k2x n TRP 73 N 0.20 0.25 -4.33 5.22 2.14 -1.26 -5.08 117.44 114.59 2k2x n TRP 73 Ca -0.13 -1.66 -0.17 0.00 2.07 0.00 0.00 57.50 57.61 2k2x n TRP 73 Cb 0.58 -0.06 -0.10 0.00 -0.81 0.00 0.00 31.31 30.92 2k2x n TRP 73 CO 0.00 0.00 0.00 -1.17 2.07 0.00 0.00 177.69 178.59 2k2x s LEU 74 N 0.00 1.80 0.00 5.67 2.96 -1.26 -4.97 118.68 122.87 2k2x s LEU 74 Ca 0.10 -1.36 0.04 0.00 -0.22 0.00 0.00 54.13 52.69 2k2x s LEU 74 Cb 0.00 -0.07 0.21 0.00 0.50 0.00 0.00 46.19 46.84 2k2x s LEU 74 CO 0.07 -0.68 0.69 1.57 -1.32 0.00 0.00 176.35 176.68