#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2x n GLU 2 N 0.00 0.16 -0.23 3.52 4.07 -0.93 -3.99 120.64 123.23 2k2x n GLU 2 Ca 0.00 0.05 -0.05 0.00 -0.06 0.00 0.00 57.16 57.09 2k2x n GLU 2 Cb 0.00 -0.99 0.10 0.00 -0.06 0.00 0.00 31.44 30.49 2k2x n GLU 2 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2k2x h VAL 4 N 1.03 1.26 -0.36 0.00 2.07 -1.82 -0.21 116.25 118.22 2k2x h VAL 4 Ca 0.22 -1.21 -0.07 0.00 0.82 0.00 0.00 66.70 66.46 2k2x h VAL 4 Cb 0.30 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 2k2x h VAL 4 CO -0.01 0.39 -0.09 -1.28 0.02 0.00 0.00 177.57 176.61 2k2x h SER 5 N 0.51 0.59 1.17 0.57 0.87 -1.61 -2.84 113.55 112.81 2k2x h SER 5 Ca 0.08 -0.15 -0.17 0.00 -1.23 0.00 0.00 61.79 60.32 2k2x h SER 5 Cb 0.63 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.41 2k2x h SER 5 CO 0.04 0.72 -0.79 0.11 -0.53 0.00 0.00 176.83 176.39 2k2x h LYS 6 N 0.56 0.00 0.00 2.24 1.79 -1.28 -3.48 116.57 116.40 2k2x h LYS 6 Ca 0.10 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 2k2x h LYS 6 Cb 0.50 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 2k2x h LYS 6 CO 0.03 0.79 0.00 0.41 -1.08 0.00 0.00 179.45 179.60 2k2x n GLY 7 N 1.24 0.71 3.62 3.86 0.00 -0.70 -5.11 105.19 108.81 2k2x n GLY 7 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 2k2x n GLY 7 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k2x s PHE 8 N -2.00 0.76 0.55 1.61 2.99 -0.17 -4.90 117.98 116.82 2k2x s PHE 8 Ca 0.00 0.55 0.05 0.00 0.00 0.00 0.00 56.93 57.54 2k2x s PHE 8 Cb 0.00 -3.45 0.04 0.00 0.00 0.00 0.00 43.02 39.61 2k2x s PHE 8 CO 0.00 -3.70 0.41 0.20 -0.00 0.00 0.00 175.22 172.13 2k2x s GLY 9 N -3.88 2.39 -0.40 4.36 0.00 -0.94 -4.07 107.32 104.78 2k2x s GLY 9 Ca 0.70 -1.20 0.11 0.00 0.00 0.00 0.00 44.72 44.34 2k2x s GLY 9 CO 0.56 -1.95 0.92 0.00 0.00 0.00 0.00 173.10 172.63 2k2x s LEU 11 N -3.07 2.95 0.75 0.00 2.01 -1.17 -4.64 118.68 115.51 2k2x s LEU 11 Ca 0.39 1.99 -0.12 0.00 0.01 0.00 0.00 54.13 56.40 2k2x s LEU 11 Cb 0.39 -4.54 0.04 0.00 0.01 0.00 0.00 46.19 42.09 2k2x s LEU 11 CO -0.07 -2.52 1.10 -2.16 1.01 0.00 0.00 176.35 173.72 2k2x s PRO 12 N -4.78 2.33 0.54 1.29 0.04 -1.26 -3.44 135.00 129.71 2k2x s PRO 12 Ca 0.64 1.28 0.28 0.00 0.04 0.00 0.00 61.00 63.24 2k2x s PRO 12 Cb -0.20 -1.90 1.53 0.00 0.04 0.00 0.00 34.50 33.97 2k2x s PRO 12 CO 0.57 -1.60 2.10 1.96 0.04 0.00 0.00 177.00 180.07 2k2x h GLN 13 N -0.80 0.00 0.00 4.56 4.20 -1.91 -1.31 115.11 119.84 2k2x h GLN 13 Ca -0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.26 2k2x h GLN 13 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 2k2x h GLN 13 CO 0.51 0.10 0.00 0.77 -0.67 0.00 0.00 178.83 179.54 2k2x h SER 14 N 0.00 0.00 0.00 1.46 0.02 -2.01 -3.36 113.55 109.66 2k2x h SER 14 Ca -0.00 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.78 2k2x h SER 14 Cb 0.28 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 2k2x h SER 14 CO 0.01 0.00 -1.41 -0.67 -1.14 0.00 0.00 176.83 173.62 2k2x n ASP 15 N -3.02 1.43 -4.66 3.07 -0.08 -0.95 -4.96 116.55 107.38 2k2x n ASP 15 Ca 0.02 0.24 -0.42 0.00 -1.51 0.00 0.00 54.79 53.11 2k2x n ASP 15 Cb 0.35 -0.56 -0.03 0.00 2.34 0.00 0.00 41.12 43.23 2k2x n ASP 15 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k2x s PRO 17 N 4.00 0.97 0.25 0.00 0.04 -1.26 -4.69 135.00 134.31 2k2x s PRO 17 Ca 0.77 0.84 0.24 0.00 0.04 0.00 0.00 61.00 62.89 2k2x s PRO 17 Cb -0.36 -1.77 0.96 0.00 0.04 0.00 0.00 34.50 33.36 2k2x s PRO 17 CO 0.33 -2.44 1.72 1.04 0.04 0.00 0.00 177.00 177.69 2k2x n GLN 18 N -4.02 0.20 0.07 4.56 6.02 -1.26 -2.88 117.38 120.06 2k2x n GLN 18 Ca 0.07 0.40 -0.23 0.00 -0.01 0.00 0.00 57.00 57.22 2k2x n GLN 18 Cb 0.55 -1.86 -0.15 0.00 1.02 0.00 0.00 30.24 29.80 2k2x n GLN 18 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 2k2x h GLU 19 N 0.00 0.38 0.00 -1.09 4.11 -2.01 -3.36 114.58 112.61 2k2x h GLU 19 Ca 0.00 -0.65 0.00 0.00 0.07 0.00 0.00 59.36 58.78 2k2x h GLU 19 Cb 0.41 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2k2x h GLU 19 CO 0.00 1.31 0.00 0.00 0.07 0.00 0.00 179.01 180.39 2k2x n ALA 20 N -2.87 2.11 -2.22 1.06 0.00 -1.14 -4.78 120.51 112.67 2k2x n ALA 20 Ca -0.24 -0.10 -0.42 0.00 0.00 0.00 0.00 53.44 52.68 2k2x n ALA 20 Cb 1.04 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 19.10 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 -2.72 3.33 0.92 0.00 0.52 -1.24 -2.34 118.95 117.42 2k2x s ARG 21 Ca 0.18 0.94 -0.12 0.00 -0.52 0.00 0.00 55.73 56.20 2k2x s ARG 21 Cb 0.15 -4.14 0.14 0.00 0.52 0.00 0.00 34.95 31.62 2k2x s ARG 21 CO 0.36 -1.88 1.11 -0.51 0.02 0.00 0.00 175.30 174.41 2k2x s LEU 22 N 6.45 2.00 0.09 2.53 1.43 -1.26 -5.00 118.68 124.91 2k2x s LEU 22 Ca 0.66 1.16 0.24 0.00 -1.03 0.00 0.00 54.13 55.16 2k2x s LEU 22 Cb -0.15 -3.50 0.34 0.00 0.03 0.00 0.00 46.19 42.90 2k2x s LEU 22 CO 0.30 -2.67 1.30 -0.24 0.23 0.00 0.00 176.35 175.27 2k2x n SER 23 N -3.87 0.64 -4.33 2.29 2.88 -1.26 -4.77 113.62 105.21 2k2x n SER 23 Ca 0.06 0.01 -0.29 0.00 -1.33 0.00 0.00 58.87 57.32 2k2x n SER 23 Cb 0.58 0.27 0.23 0.00 -0.75 0.00 0.00 64.21 64.53 2k2x n SER 23 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2k2x s TYR 24 N -3.14 1.26 0.20 0.66 4.12 -1.26 -5.10 117.35 114.10 2k2x s TYR 24 Ca 0.07 0.89 0.04 0.00 0.02 0.00 0.00 57.07 58.09 2k2x s TYR 24 Cb 0.14 -3.21 -0.02 0.00 -1.52 0.00 0.00 41.96 37.36 2k2x s TYR 24 CO 0.73 -3.66 0.16 0.41 0.02 0.00 0.00 175.55 173.21 2k2x n GLY 25 N -0.20 3.38 0.00 0.71 0.00 -1.26 -4.80 105.19 103.02 2k2x n GLY 25 Ca 0.06 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.29 0.59 3.62 -0.02 0.00 -1.26 -2.18 105.19 105.64 2k2x n GLY 26 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -4.58 0.55 0.00 0.00 3.41 -1.26 -4.85 113.62 106.89 2k2x n SER 28 Ca 0.10 -0.55 0.00 0.00 -0.26 0.00 0.00 58.87 58.17 2k2x n SER 28 Cb 0.59 1.45 0.00 0.00 -0.26 0.00 0.00 64.21 65.99 2k2x n SER 28 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2k2x n THR 29 N -1.84 0.00 -3.51 6.66 -2.24 -1.26 -5.12 114.28 106.97 2k2x n THR 29 Ca 0.00 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 2k2x n THR 29 Cb 0.44 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.62 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 -0.74 0.01 0.76 2.28 0.11 -1.22 -4.93 120.40 116.66 2k2x s VAL 30 Ca 0.00 -0.06 -0.11 0.00 -2.93 0.00 0.00 61.98 58.88 2k2x s VAL 30 Cb 0.00 -0.99 0.05 0.00 -1.53 0.00 0.00 36.38 33.91 2k2x s VAL 30 CO 0.00 -0.03 1.08 0.00 -3.33 0.00 0.00 175.10 172.82 2k2x s ASP 33 N 2.48 5.24 0.26 0.00 3.84 -0.99 -2.22 116.67 125.28 2k2x s ASP 33 Ca -0.02 -0.43 -0.02 0.00 -0.00 0.00 0.00 52.55 52.09 2k2x s ASP 33 Cb -0.12 -2.55 0.35 0.00 -1.38 0.00 0.00 42.92 39.22 2k2x s ASP 33 CO -0.12 -2.59 1.78 -0.07 -0.00 0.00 0.00 175.17 174.16 2k2x h LEU 34 N 17.25 0.77 -1.55 2.11 3.38 -1.92 -2.06 115.31 133.28 2k2x h LEU 34 Ca -0.00 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 2k2x h LEU 34 Cb 1.05 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2k2x h LEU 34 CO 1.22 0.81 -0.07 -1.28 0.09 0.00 0.00 178.44 179.21 2k2x h SER 35 N 0.76 0.18 -0.20 -0.43 0.87 -1.93 -2.98 113.55 109.83 2k2x h SER 35 Ca 0.15 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2k2x h SER 35 Cb 0.41 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2k2x h SER 35 CO 0.01 0.28 0.00 0.29 -0.53 0.00 0.00 176.83 176.89 2k2x n LYS 36 N -4.35 2.24 0.03 2.24 5.02 -0.92 -4.60 118.16 117.82 2k2x n LYS 36 Ca -0.01 -2.02 -0.12 0.00 -2.02 0.00 0.00 58.31 54.14 2k2x n LYS 36 Cb 0.21 -1.45 -0.09 0.00 -0.02 0.00 0.00 35.03 33.68 2k2x n LYS 36 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2k2x h LEU 37 N 4.24 -0.11 -2.96 -0.35 7.12 -1.22 -3.49 115.31 118.54 2k2x h LEU 37 Ca 0.00 -0.44 -0.25 0.00 0.13 0.00 0.00 57.88 57.32 2k2x h LEU 37 Cb 0.93 0.03 0.01 0.00 -0.53 0.00 0.00 40.66 41.10 2k2x h LEU 37 CO 0.00 0.42 -0.98 0.35 -0.13 0.00 0.00 178.44 178.10 2k2x n THR 38 N -4.90 -2.83 -1.44 1.05 -2.24 -1.26 -4.99 114.28 97.67 2k2x n THR 38 Ca -0.08 0.15 -0.29 0.00 -2.27 0.00 0.00 64.05 61.55 2k2x n THR 38 Cb 0.27 -2.83 0.17 0.00 -2.10 0.00 0.00 70.33 65.84 2k2x n THR 38 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2k2x s GLY 39 N -1.12 1.60 -0.15 3.38 0.00 -1.26 -4.93 107.32 104.83 2k2x s GLY 39 Ca 0.25 -0.64 -0.01 0.00 0.00 0.00 0.00 44.72 44.32 2k2x s GLY 39 CO 0.55 0.00 -0.14 0.00 0.00 0.00 0.00 173.10 173.51 2k2x h LYS 41 N -0.11 0.78 0.00 0.00 1.63 -1.97 -2.28 116.57 114.63 2k2x h LYS 41 Ca -0.34 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.41 2k2x h LYS 41 Cb 1.48 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.93 2k2x h LYS 41 CO -0.09 0.52 0.00 0.41 -3.45 0.00 0.00 179.45 176.84 2k2x n GLY 42 N -1.45 -1.82 0.23 5.01 0.00 -1.26 -3.71 105.19 102.19 2k2x n GLY 42 Ca 0.08 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.20 2k2x n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k2x h LYS 43 N 0.00 0.00 0.00 1.61 6.56 -1.88 -3.47 116.57 119.39 2k2x h LYS 43 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2k2x h LYS 43 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 2k2x h LYS 43 CO 0.00 0.21 0.00 0.41 -2.06 0.00 0.00 179.45 178.01 2k2x n GLY 44 N -0.19 2.84 6.17 3.86 0.00 -0.86 -4.98 105.19 112.04 2k2x n GLY 44 Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.02 2k2x n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k2x n GLY 45 N -0.75 -1.71 3.51 -0.02 0.00 -1.26 -4.88 105.19 100.09 2k2x n GLY 45 Ca 0.00 -1.27 -0.25 0.00 0.00 0.00 0.00 46.02 44.49 2k2x n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k2x s GLU 46 N -0.19 1.89 -0.44 1.61 -1.05 -1.25 -5.07 118.70 114.20 2k2x s GLU 46 Ca 0.00 -2.14 -0.08 0.00 -0.15 0.00 0.00 54.97 52.61 2k2x s GLU 46 Cb 0.00 -0.69 0.11 0.00 -0.44 0.00 0.00 34.13 33.11 2k2x s GLU 46 CO 0.00 -0.42 0.28 0.00 0.95 0.00 0.00 175.26 176.07 2k2x s ASN 48 N 2.31 1.85 0.86 0.00 2.20 -1.26 -5.10 114.94 115.79 2k2x s ASN 48 Ca 0.05 -0.80 -0.11 0.00 -0.94 0.00 0.00 52.86 51.06 2k2x s ASN 48 Cb -0.24 -0.05 0.11 0.00 -2.00 0.00 0.00 41.25 39.06 2k2x s ASN 48 CO -0.01 -0.17 1.10 -2.16 -2.94 0.00 0.00 177.10 172.92 2k2x s PRO 49 N -2.67 1.57 0.58 3.55 0.04 -1.26 -3.62 135.00 133.20 2k2x s PRO 49 Ca 0.08 1.10 0.36 0.00 0.04 0.00 0.00 61.00 62.58 2k2x s PRO 49 Cb -0.05 -1.82 1.69 0.00 0.04 0.00 0.00 34.50 34.36 2k2x s PRO 49 CO 0.02 -2.10 2.11 -0.07 0.04 0.00 0.00 177.00 177.00 2k2x h LEU 50 N -1.46 0.00 -1.59 -3.56 3.38 -1.85 -2.48 115.31 107.75 2k2x h LEU 50 Ca -0.46 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.51 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 0.51 0.03 -0.00 -0.78 0.09 0.00 0.00 178.44 178.28 2k2x h ASP 51 N 0.00 0.00 -3.97 -0.43 1.82 -1.91 -3.44 116.42 108.49 2k2x h ASP 51 Ca -0.00 0.00 -0.51 0.00 -0.39 0.00 0.00 57.03 56.13 2k2x h ASP 51 Cb 0.34 0.00 0.07 0.00 0.68 0.00 0.00 39.33 40.42 2k2x h ASP 51 CO 0.00 0.00 0.53 -0.60 -1.61 0.00 0.00 179.24 177.57 2k2x s ARG 52 N -3.71 3.88 -0.62 0.28 6.06 -0.93 -4.99 118.95 118.91 2k2x s ARG 52 Ca 0.01 1.92 -0.21 0.00 -2.50 0.00 0.00 55.73 54.94 2k2x s ARG 52 Cb 0.09 -2.58 0.08 0.00 0.06 0.00 0.00 34.95 32.59 2k2x s ARG 52 CO 0.53 -0.49 0.87 -0.65 -2.50 0.00 0.00 175.30 173.06 2k2x s GLN 53 N -2.44 3.11 0.28 5.12 -0.21 -1.26 -4.96 119.66 119.30 2k2x s GLN 53 Ca 0.60 -0.92 -0.19 0.00 0.02 0.00 0.00 55.36 54.86 2k2x s GLN 53 Cb -0.32 -4.22 0.06 0.00 1.00 0.00 0.00 33.01 29.53 2k2x s GLN 53 CO 0.40 -1.68 0.88 0.00 -2.12 0.00 0.00 175.29 172.77 2k2x s LYS 55 N -2.57 2.33 1.20 0.00 2.20 -1.21 -4.98 119.74 116.71 2k2x s LYS 55 Ca 0.17 -1.31 -0.16 0.00 -0.36 0.00 0.00 55.97 54.30 2k2x s LYS 55 Cb -0.04 -3.03 0.29 0.00 -1.51 0.00 0.00 37.83 33.54 2k2x s LYS 55 CO 0.08 -0.60 1.03 -1.83 -0.36 0.00 0.00 175.35 173.68 2k2x s GLU 56 N 1.17 -1.20 -0.12 4.03 1.03 -1.26 -4.01 118.70 118.34 2k2x s GLU 56 Ca -0.07 0.42 -0.06 0.00 0.03 0.00 0.00 54.97 55.29 2k2x s GLU 56 Cb -0.20 -1.56 0.05 0.00 -0.80 0.00 0.00 34.13 31.62 2k2x s GLU 56 CO -0.03 -3.80 0.27 -0.51 -1.33 0.00 0.00 175.26 169.86 2k2x s LEU 57 N -7.16 0.31 0.15 1.83 1.43 -1.26 -4.76 118.68 109.23 2k2x s LEU 57 Ca 0.68 0.59 0.15 0.00 -1.03 0.00 0.00 54.13 54.52 2k2x s LEU 57 Cb -0.18 0.84 0.70 0.00 0.03 0.00 0.00 46.19 47.58 2k2x s LEU 57 CO 0.60 -0.17 1.45 0.00 0.23 0.00 0.00 176.35 178.46 2k2x n GLN 58 N 4.25 0.09 0.00 1.70 10.64 -1.26 -1.43 117.38 131.37 2k2x n GLN 58 Ca -0.25 0.47 0.00 0.00 -1.83 0.00 0.00 57.00 55.40 2k2x n GLN 58 Cb 0.53 -1.72 0.00 0.00 -0.86 0.00 0.00 30.24 28.19 2k2x n GLN 58 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2k2x n ALA 59 N -1.65 -0.07 -0.08 2.61 0.00 -1.26 -4.50 120.51 115.56 2k2x n ALA 59 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 2k2x n ALA 59 Cb 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.42 2k2x n ALA 59 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2k2x h GLU 60 N 0.00 0.02 0.00 0.00 4.39 -1.96 -3.36 114.58 113.67 2k2x h GLU 60 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2k2x h GLU 60 Cb 0.00 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 2k2x h GLU 60 CO 0.00 1.01 0.00 -1.13 -1.16 0.00 0.00 179.01 177.73 2k2x n SER 61 N -4.48 0.00 0.13 1.42 3.41 -0.51 -3.05 113.62 110.53 2k2x n SER 61 Ca -0.22 0.20 0.11 0.00 -0.26 0.00 0.00 58.87 58.70 2k2x n SER 61 Cb 0.61 -0.35 0.49 0.00 -0.26 0.00 0.00 64.21 64.70 2k2x n SER 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k2x n ALA 62 N -1.35 1.52 0.20 7.33 0.00 -1.22 -3.79 120.51 123.20 2k2x n ALA 62 Ca 0.06 0.10 -0.14 0.00 0.00 0.00 0.00 53.44 53.46 2k2x n ALA 62 Cb 0.14 -1.36 -0.08 0.00 0.00 0.00 0.00 19.45 18.15 2k2x n ALA 62 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k2x h SER 63 N 0.00 -0.43 1.11 0.00 0.87 -1.82 -2.86 113.55 110.42 2k2x h SER 63 Ca 0.00 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 2k2x h SER 63 Cb 0.28 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2k2x h SER 63 CO 0.00 -0.12 0.00 0.00 -0.53 0.00 0.00 176.83 176.18 2k2x n GLY 65 N 0.56 -0.93 3.60 0.00 0.00 -1.08 -4.80 105.19 102.54 2k2x n GLY 65 Ca 0.03 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.37 2k2x n GLY 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k2x s LYS 66 N 0.00 3.15 0.00 1.61 2.20 -1.26 -2.16 119.74 123.28 2k2x s LYS 66 Ca 0.00 2.04 0.00 0.00 -0.36 0.00 0.00 55.97 57.65 2k2x s LYS 66 Cb 0.00 -4.37 0.00 0.00 -1.51 0.00 0.00 37.83 31.95 2k2x s LYS 66 CO 0.00 -2.08 0.00 0.41 -0.36 0.00 0.00 175.35 173.32 2k2x n GLY 67 N 5.73 0.55 3.38 5.54 0.00 -1.26 -5.10 105.19 114.03 2k2x n GLY 67 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 2k2x n GLY 67 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k2x s GLN 68 N 0.00 1.47 0.02 1.61 2.00 -0.92 -2.87 119.66 120.98 2k2x s GLN 68 Ca 0.00 -1.31 -0.02 0.00 -2.00 0.00 0.00 55.36 52.03 2k2x s GLN 68 Cb 0.00 -1.91 -0.02 0.00 0.80 0.00 0.00 33.01 31.88 2k2x s GLN 68 CO 0.00 0.46 0.02 -1.59 -0.50 0.00 0.00 175.29 173.68 2k2x s LYS 69 N -1.93 0.40 0.21 1.67 -2.85 -1.24 -4.84 119.74 111.16 2k2x s LYS 69 Ca 0.14 -0.63 -0.31 0.00 -1.00 0.00 0.00 55.97 54.17 2k2x s LYS 69 Cb -0.10 0.15 -0.10 0.00 -2.06 0.00 0.00 37.83 35.71 2k2x s LYS 69 CO 0.05 -0.08 1.55 0.00 0.10 0.00 0.00 175.35 176.97 2k2x s VAL 72 N 2.78 0.10 0.42 0.00 0.11 -1.26 -3.85 120.40 118.70 2k2x s VAL 72 Ca 0.07 -0.84 0.02 0.00 -2.93 0.00 0.00 61.98 58.30 2k2x s VAL 72 Cb -0.14 -1.24 -0.01 0.00 -1.53 0.00 0.00 36.38 33.46 2k2x s VAL 72 CO -0.18 -0.46 0.08 -2.67 -3.33 0.00 0.00 175.10 168.54 2k2x n TRP 73 N -0.15 0.51 -3.55 1.54 2.14 -1.26 -4.93 117.44 111.74 2k2x n TRP 73 Ca -0.16 -2.42 -0.37 0.00 2.07 0.00 0.00 57.50 56.63 2k2x n TRP 73 Cb 0.63 -0.13 -0.07 0.00 -0.81 0.00 0.00 31.31 30.94 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 4.32 0.00 5.67 1.98 -1.26 -5.08 118.68 124.31 2k2x s LEU 74 Ca 0.12 0.64 0.00 0.00 -2.89 0.00 0.00 54.13 52.00 2k2x s LEU 74 Cb 0.01 -2.41 0.00 0.00 0.66 0.00 0.00 46.19 44.44 2k2x s LEU 74 CO 0.08 0.19 0.00 1.41 -1.89 0.00 0.00 176.35 176.14