#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1m s GLU 2 N 0.00 1.14 0.58 0.54 -1.05 -1.26 -5.14 118.70 113.51 2k1m s GLU 2 Ca 0.00 -1.41 -0.18 0.00 -0.15 0.00 0.00 54.97 53.23 2k1m s GLU 2 Cb 0.00 -0.93 -0.04 0.00 -0.44 0.00 0.00 34.13 32.72 2k1m s GLU 2 CO 0.00 0.16 1.12 -1.25 0.95 0.00 0.00 175.26 176.24 2k1m s PRO 3 N -3.24 3.19 -0.04 -4.83 0.04 -1.26 -4.99 135.00 123.87 2k1m s PRO 3 Ca 0.15 1.54 -0.23 0.00 0.04 0.00 0.00 61.00 62.51 2k1m s PRO 3 Cb -0.02 -1.99 -0.17 0.00 0.04 0.00 0.00 34.50 32.37 2k1m s PRO 3 CO 0.04 -0.97 0.98 0.78 0.04 0.00 0.00 177.00 177.87 2k1m h GLY 4 N 0.85 -0.22 -4.24 0.56 0.00 -2.09 -3.44 103.07 94.49 2k1m h GLY 4 Ca -0.49 0.08 -0.54 0.00 0.00 0.00 0.00 47.33 46.38 2k1m h GLY 4 CO 0.56 -0.08 0.13 1.25 0.00 0.00 0.00 176.54 178.40 2k1m s LYS 5 N -3.70 4.47 0.58 4.80 2.47 -1.26 -5.07 119.74 122.04 2k1m s LYS 5 Ca -0.13 1.05 -0.09 0.00 -1.56 0.00 0.00 55.97 55.24 2k1m s LYS 5 Cb 0.01 -3.24 -0.03 0.00 -1.46 0.00 0.00 37.83 33.10 2k1m s LYS 5 CO 0.52 0.58 0.95 0.15 0.16 0.00 0.00 175.35 177.71 2k1m s LYS 6 N -1.16 3.48 0.56 4.03 1.02 -1.26 -5.05 119.74 121.35 2k1m s LYS 6 Ca 0.34 0.50 -0.19 0.00 0.02 0.00 0.00 55.97 56.65 2k1m s LYS 6 Cb -0.22 -2.18 -0.05 0.00 -0.52 0.00 0.00 37.83 34.86 2k1m s LYS 6 CO 0.24 -0.50 1.13 -1.25 -0.92 0.00 0.00 175.35 174.05 2k1m s PRO 7 N -5.04 3.28 -0.41 -1.68 0.04 -1.26 -4.89 135.00 125.03 2k1m s PRO 7 Ca 0.53 1.58 -0.29 0.00 0.04 0.00 0.00 61.00 62.86 2k1m s PRO 7 Cb -0.11 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.35 2k1m s PRO 7 CO 0.50 -0.90 2.33 0.28 0.04 0.00 0.00 177.00 179.26 2k1m n VAL 8 N -1.46 0.11 -1.85 -0.36 0.31 -1.26 -4.88 118.33 108.94 2k1m n VAL 8 Ca 0.11 -0.52 -0.42 0.00 -0.01 0.00 0.00 64.34 63.50 2k1m n VAL 8 Cb 0.51 -2.32 -0.03 0.00 -0.91 0.00 0.00 33.84 31.09 2k1m n VAL 8 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2k1m s SER 9 N 9.76 6.53 -0.11 4.52 0.01 -1.26 -4.88 113.70 128.27 2k1m s SER 9 Ca 1.04 2.61 0.14 0.00 1.31 0.00 0.00 55.95 61.05 2k1m s SER 9 Cb -0.45 -2.57 0.33 0.00 0.21 0.00 0.00 66.02 63.54 2k1m s SER 9 CO 0.35 -0.92 1.24 0.00 0.41 0.00 0.00 173.24 174.33 2k1m n ALA 10 N 5.27 2.47 -3.59 1.44 0.00 -1.26 -4.69 120.51 120.15 2k1m n ALA 10 Ca 0.16 -2.03 -0.29 0.00 0.00 0.00 0.00 53.44 51.28 2k1m n ALA 10 Cb 0.39 -0.45 -0.12 0.00 0.00 0.00 0.00 19.45 19.27 2k1m n ALA 10 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2k1m s PHE 11 N -2.28 1.37 0.21 0.00 0.40 -1.26 -1.36 117.98 115.06 2k1m s PHE 11 Ca 0.29 -2.05 -0.10 0.00 -0.60 0.00 0.00 56.93 54.47 2k1m s PHE 11 Cb 0.23 -1.41 0.28 0.00 0.51 0.00 0.00 43.02 42.63 2k1m s PHE 11 CO 0.07 -0.80 1.71 1.03 0.70 0.00 0.00 175.22 177.92 2k1m h SER 12 N 6.82 0.04 -3.51 1.36 0.87 -1.26 -3.37 113.55 114.48 2k1m h SER 12 Ca 0.03 0.10 -0.59 0.00 -1.23 0.00 0.00 61.79 60.11 2k1m h SER 12 Cb 0.95 0.13 -0.39 0.00 -0.44 0.00 0.00 62.40 62.65 2k1m h SER 12 CO 0.38 0.03 -0.78 -0.75 -0.53 0.00 0.00 176.83 175.18 2k1m s LYS 13 N -6.11 1.31 0.17 2.24 2.36 -0.42 -4.95 119.74 114.34 2k1m s LYS 13 Ca -0.13 -0.89 -0.30 0.00 -2.55 0.00 0.00 55.97 52.09 2k1m s LYS 13 Cb 0.17 -2.45 -0.08 0.00 -1.05 0.00 0.00 37.83 34.42 2k1m s LYS 13 CO 0.74 -0.65 1.19 0.21 1.55 0.00 0.00 175.35 178.38 2k1m s LYS 14 N 1.50 4.50 -1.10 4.03 2.20 -1.26 0.01 119.74 129.61 2k1m s LYS 14 Ca -0.03 1.84 -0.23 0.00 -0.36 0.00 0.00 55.97 57.19 2k1m s LYS 14 Cb -0.18 -3.26 -0.08 0.00 -1.51 0.00 0.00 37.83 32.80 2k1m s LYS 14 CO -0.08 -0.09 1.94 -1.25 -0.36 0.00 0.00 175.35 175.51 2k1m s PRO 15 N -0.10 2.51 0.48 4.03 0.04 -1.24 -4.88 135.00 135.84 2k1m s PRO 15 Ca 0.53 -0.91 -0.22 0.00 0.04 0.00 0.00 61.00 60.44 2k1m s PRO 15 Cb -0.32 -5.19 -0.09 0.00 0.04 0.00 0.00 34.50 28.94 2k1m s PRO 15 CO 0.35 -3.82 0.87 2.89 0.04 0.00 0.00 177.00 177.34 2k1m n ARG 16 N 8.45 1.03 -1.82 4.56 1.85 -1.26 -4.70 116.66 124.76 2k1m n ARG 16 Ca 0.43 0.38 -0.40 0.00 -1.00 0.00 0.00 57.85 57.26 2k1m n ARG 16 Cb 0.47 -1.95 0.01 0.00 -1.05 0.00 0.00 32.46 29.94 2k1m n ARG 16 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 2k1m s SER 17 N -0.94 5.98 0.33 2.89 1.04 -1.26 -4.91 113.70 116.83 2k1m s SER 17 Ca 0.67 2.92 0.04 0.00 0.48 0.00 0.00 55.95 60.06 2k1m s SER 17 Cb -0.52 -2.65 -0.07 0.00 0.10 0.00 0.00 66.02 62.88 2k1m s SER 17 CO 0.55 -1.11 0.04 0.68 0.98 0.00 0.00 173.24 174.38 2k1m s VAL 18 N -1.19 1.32 -0.03 5.02 -7.23 -1.24 -5.02 120.40 112.02 2k1m s VAL 18 Ca 0.59 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.79 2k1m s VAL 18 Cb -0.44 -2.78 0.00 0.00 0.56 0.00 0.00 36.38 33.72 2k1m s VAL 18 CO 0.57 -0.03 -0.13 -1.83 -0.31 0.00 0.00 175.10 173.37 2k1m s GLU 19 N -3.86 1.36 -0.11 4.82 1.03 -1.26 -2.50 118.70 118.18 2k1m s GLU 19 Ca 0.36 -0.45 -0.10 0.00 0.03 0.00 0.00 54.97 54.81 2k1m s GLU 19 Cb 0.08 -1.22 0.03 0.00 -0.80 0.00 0.00 34.13 32.23 2k1m s GLU 19 CO 0.15 0.17 0.30 0.14 -1.33 0.00 0.00 175.26 174.69 2k1m s VAL 20 N 0.13 -0.01 0.52 1.83 -7.23 -1.08 -4.95 120.40 109.60 2k1m s VAL 20 Ca -0.04 0.02 -0.20 0.00 -1.81 0.00 0.00 61.98 59.95 2k1m s VAL 20 Cb -0.10 -0.42 -0.07 0.00 0.56 0.00 0.00 36.38 36.35 2k1m s VAL 20 CO 0.01 0.01 1.11 0.00 -0.31 0.00 0.00 175.10 175.92 2k1m s ALA 21 N 0.35 2.78 -0.18 1.32 0.00 -1.26 -1.32 121.76 123.44 2k1m s ALA 21 Ca -0.02 0.78 -0.38 0.00 0.00 0.00 0.00 51.96 52.34 2k1m s ALA 21 Cb -0.03 -3.34 -0.15 0.00 0.00 0.00 0.00 23.12 19.60 2k1m s ALA 21 CO -0.01 -0.63 1.71 0.00 0.00 0.00 0.00 175.76 176.82 2k1m n ALA 22 N -1.09 -0.06 0.00 0.00 0.00 -0.95 -0.55 120.51 117.86 2k1m n ALA 22 Ca 0.10 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2k1m n ALA 22 Cb 0.51 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.70 2k1m n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k1m n GLY 23 N 3.98 3.09 3.75 0.00 0.00 -0.61 -4.97 105.19 110.44 2k1m n GLY 23 Ca 0.24 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 2k1m n GLY 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k1m s SER 24 N 0.25 5.30 0.37 1.61 0.01 0.29 -4.82 113.70 116.69 2k1m s SER 24 Ca 0.00 2.43 -0.27 0.00 1.31 0.00 0.00 55.95 59.42 2k1m s SER 24 Cb 0.00 -2.60 -0.09 0.00 0.21 0.00 0.00 66.02 63.54 2k1m s SER 24 CO 0.00 -1.52 1.20 -2.16 0.41 0.00 0.00 173.24 171.17 2k1m s PRO 25 N -3.21 4.21 -0.03 12.44 0.04 -1.26 -4.64 135.00 142.54 2k1m s PRO 25 Ca 0.75 1.96 -0.01 0.00 0.04 0.00 0.00 61.00 63.74 2k1m s PRO 25 Cb -0.32 -2.86 0.03 0.00 0.04 0.00 0.00 34.50 31.40 2k1m s PRO 25 CO 0.35 -0.22 0.05 0.00 0.04 0.00 0.00 177.00 177.22 2k1m s ALA 26 N -1.29 0.12 0.02 8.56 0.00 -0.32 -4.94 121.76 123.90 2k1m s ALA 26 Ca 0.53 0.29 0.06 0.00 0.00 0.00 0.00 51.96 52.84 2k1m s ALA 26 Cb -0.34 -0.42 -0.02 0.00 0.00 0.00 0.00 23.12 22.34 2k1m s ALA 26 CO 0.43 -0.27 -0.19 0.54 0.00 0.00 0.00 175.76 176.27 2k1m s VAL 27 N 1.54 1.49 -0.16 0.00 0.11 -1.26 -0.11 120.40 122.01 2k1m s VAL 27 Ca -0.03 -1.01 0.01 0.00 -2.93 0.00 0.00 61.98 58.02 2k1m s VAL 27 Cb -0.13 -1.28 0.01 0.00 -1.53 0.00 0.00 36.38 33.45 2k1m s VAL 27 CO -0.03 0.25 -0.18 -0.36 -3.33 0.00 0.00 175.10 171.45 2k1m s PHE 28 N -0.67 2.76 -0.31 1.54 0.40 -0.55 -4.95 117.98 116.21 2k1m s PHE 28 Ca 0.06 -1.33 -0.18 0.00 -0.60 0.00 0.00 56.93 54.89 2k1m s PHE 28 Cb -0.08 -1.90 -0.02 0.00 0.51 0.00 0.00 43.02 41.54 2k1m s PHE 28 CO 0.01 -0.64 0.50 -1.21 0.70 0.00 0.00 175.22 174.58 2k1m s GLU 29 N 1.04 3.85 -0.12 0.44 2.02 -1.26 -1.30 118.70 123.36 2k1m s GLU 29 Ca -0.01 0.06 -0.01 0.00 0.02 0.00 0.00 54.97 55.03 2k1m s GLU 29 Cb -0.14 -3.73 0.03 0.00 0.10 0.00 0.00 34.13 30.39 2k1m s GLU 29 CO -0.05 -0.49 -0.06 0.00 0.02 0.00 0.00 175.26 174.68 2k1m s ALA 30 N 2.34 1.24 -0.11 5.21 0.00 0.83 -3.65 121.76 127.62 2k1m s ALA 30 Ca 0.19 -0.54 -0.04 0.00 0.00 0.00 0.00 51.96 51.58 2k1m s ALA 30 Cb -0.15 -0.93 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 2k1m s ALA 30 CO 0.11 -0.52 0.06 -2.00 0.00 0.00 0.00 175.76 173.42 2k1m s GLU 31 N 1.74 3.24 0.25 0.00 2.12 0.10 0.02 118.70 126.17 2k1m s GLU 31 Ca 0.04 -0.30 0.02 0.00 0.36 0.00 0.00 54.97 55.09 2k1m s GLU 31 Cb -0.13 -2.98 -0.03 0.00 0.26 0.00 0.00 34.13 31.25 2k1m s GLU 31 CO -0.08 0.70 0.41 0.95 -0.54 0.00 0.00 175.26 176.70 2k1m s THR 32 N -0.83 5.21 -2.21 -1.70 -4.23 -0.37 -1.23 115.64 110.28 2k1m s THR 32 Ca 0.13 -0.68 0.23 0.00 -1.18 0.00 0.00 61.69 60.18 2k1m s THR 32 Cb -0.12 -3.82 0.54 0.00 1.34 0.00 0.00 72.50 70.44 2k1m s THR 32 CO 0.03 -0.33 1.70 1.21 -0.54 0.00 0.00 174.62 176.69 2k1m n GLU 33 N -1.26 1.45 -4.14 3.99 2.13 -0.47 -3.79 120.64 118.54 2k1m n GLU 33 Ca -0.07 -0.66 -0.17 0.00 0.66 0.00 0.00 57.16 56.92 2k1m n GLU 33 Cb 0.56 -1.39 -0.15 0.00 0.27 0.00 0.00 31.44 30.72 2k1m n GLU 33 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2k1m s ARG 34 N -1.91 0.50 0.55 5.31 3.52 -1.26 -4.94 118.95 120.72 2k1m s ARG 34 Ca 0.34 -0.14 -0.09 0.00 -0.13 0.00 0.00 55.73 55.70 2k1m s ARG 34 Cb 0.17 -0.51 -0.04 0.00 -1.56 0.00 0.00 34.95 33.01 2k1m s ARG 34 CO 0.28 0.05 0.93 0.00 -0.81 0.00 0.00 175.30 175.74 2k1m s ALA 35 N 0.21 3.22 -1.91 6.12 0.00 -1.26 -3.82 121.76 124.31 2k1m s ALA 35 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.72 2k1m s ALA 35 Cb -0.06 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.17 2k1m s ALA 35 CO -0.00 -0.49 0.00 0.41 0.00 0.00 0.00 175.76 175.68 2k1m n GLY 36 N -2.39 1.72 3.87 0.00 0.00 -1.25 -4.95 105.19 102.18 2k1m n GLY 36 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 2k1m n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k1m s VAL 37 N -2.53 4.83 -0.45 1.61 0.11 -1.25 -5.05 120.40 117.67 2k1m s VAL 37 Ca 0.00 0.56 -0.14 0.00 -2.93 0.00 0.00 61.98 59.47 2k1m s VAL 37 Cb 0.00 -3.69 0.06 0.00 -1.53 0.00 0.00 36.38 31.22 2k1m s VAL 37 CO 0.00 -0.34 0.34 -1.59 -3.33 0.00 0.00 175.10 170.18 2k1m s LYS 38 N -3.45 2.90 -0.37 1.54 -2.85 -1.26 -5.04 119.74 111.21 2k1m s LYS 38 Ca 0.50 -1.31 -0.18 0.00 -1.00 0.00 0.00 55.97 53.98 2k1m s LYS 38 Cb -0.10 -4.02 0.00 0.00 -2.06 0.00 0.00 37.83 31.65 2k1m s LYS 38 CO 0.26 -0.95 0.51 0.08 0.10 0.00 0.00 175.35 175.36 2k1m s VAL 39 N 1.60 5.01 -0.04 1.79 1.01 -1.26 -3.82 120.40 124.67 2k1m s VAL 39 Ca 0.04 0.20 -0.15 0.00 0.00 0.00 0.00 61.98 62.06 2k1m s VAL 39 Cb -0.23 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 2k1m s VAL 39 CO 0.06 -0.29 0.41 0.00 0.00 0.00 0.00 175.10 175.28 2k1m s ARG 40 N 2.40 4.06 0.06 2.72 1.04 0.85 -4.95 118.95 125.13 2k1m s ARG 40 Ca 0.18 0.39 0.04 0.00 -1.04 0.00 0.00 55.73 55.30 2k1m s ARG 40 Cb -0.16 -3.29 -0.04 0.00 -2.04 0.00 0.00 34.95 29.42 2k1m s ARG 40 CO 0.14 0.52 0.00 -1.58 -0.04 0.00 0.00 175.30 174.34 2k1m s TRP 41 N -0.51 3.02 -0.11 5.89 0.52 -1.26 -0.64 118.94 125.85 2k1m s TRP 41 Ca 0.24 0.01 -0.09 0.00 0.02 0.00 0.00 56.10 56.27 2k1m s TRP 41 Cb -0.16 -1.58 0.03 0.00 -1.15 0.00 0.00 33.47 30.61 2k1m s TRP 41 CO 0.12 0.47 0.28 -1.14 0.02 0.00 0.00 176.95 176.70 2k1m s GLN 42 N -2.09 0.31 -0.58 4.98 0.74 0.10 -0.07 119.66 123.05 2k1m s GLN 42 Ca 0.24 0.41 -0.09 0.00 0.05 0.00 0.00 55.36 55.98 2k1m s GLN 42 Cb -0.12 0.12 0.15 0.00 1.10 0.00 0.00 33.01 34.27 2k1m s GLN 42 CO 0.16 -0.05 0.46 0.50 -0.55 0.00 0.00 175.29 175.80 2k1m s ARG 43 N 0.30 2.73 3.01 1.67 3.00 0.91 -0.11 118.95 130.45 2k1m s ARG 43 Ca -0.01 -2.09 0.00 0.00 -1.00 0.00 0.00 55.73 52.63 2k1m s ARG 43 Cb -0.03 -3.99 0.00 0.00 0.00 0.00 0.00 34.95 30.93 2k1m s ARG 43 CO -0.01 -1.21 0.00 0.41 0.00 0.00 0.00 175.30 174.49 2k1m n GLY 44 N 4.39 0.38 0.01 8.12 0.00 -0.36 -1.20 105.19 116.53 2k1m n GLY 44 Ca 0.00 0.62 0.05 0.00 0.00 0.00 0.00 46.02 46.69 2k1m n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k1m n GLY 45 N 0.00 -0.59 3.58 -0.02 0.00 -1.26 -4.93 105.19 101.97 2k1m n GLY 45 Ca 0.00 -0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 2k1m n GLY 45 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k1m s SER 46 N -3.61 6.06 0.69 1.61 0.15 -0.34 -5.07 113.70 113.19 2k1m s SER 46 Ca -0.05 -0.08 -0.16 0.00 0.70 0.00 0.00 55.95 56.35 2k1m s SER 46 Cb 0.08 -2.14 0.02 0.00 -1.71 0.00 0.00 66.02 62.26 2k1m s SER 46 CO 0.53 -0.12 1.23 1.51 1.20 0.00 0.00 173.24 177.59 2k1m s ASP 47 N 1.74 4.43 0.11 5.45 -4.77 -1.26 -0.07 116.67 122.30 2k1m s ASP 47 Ca 0.08 2.44 0.07 0.00 -3.30 0.00 0.00 52.55 51.84 2k1m s ASP 47 Cb -0.16 -2.60 -0.04 0.00 -1.09 0.00 0.00 42.92 39.03 2k1m s ASP 47 CO 0.11 -2.11 -0.08 -0.63 0.70 0.00 0.00 175.17 173.15 2k1m s ILE 48 N -1.76 3.47 0.16 2.11 1.01 0.89 -4.66 121.20 122.42 2k1m s ILE 48 Ca 0.77 -1.25 -0.23 0.00 0.00 0.00 0.00 60.65 59.94 2k1m s ILE 48 Cb -0.32 -2.63 0.07 0.00 0.01 0.00 0.00 42.46 39.59 2k1m s ILE 48 CO 0.42 0.10 0.63 -0.44 0.00 0.00 0.00 174.94 175.65 2k1m s SER 49 N -2.26 -0.53 -0.76 3.58 0.01 -1.26 -4.12 113.70 108.36 2k1m s SER 49 Ca 0.22 -0.06 -0.26 0.00 1.31 0.00 0.00 55.95 57.17 2k1m s SER 49 Cb -0.11 0.60 -0.10 0.00 0.21 0.00 0.00 66.02 66.62 2k1m s SER 49 CO 0.15 -0.98 2.25 0.00 0.41 0.00 0.00 173.24 175.07 2k1m s ALA 50 N -3.72 1.18 0.30 1.44 0.00 -1.26 -4.56 121.76 115.14 2k1m s ALA 50 Ca 0.02 -0.85 -0.15 0.00 0.00 0.00 0.00 51.96 50.98 2k1m s ALA 50 Cb -0.01 -4.52 0.06 0.00 0.00 0.00 0.00 23.12 18.64 2k1m s ALA 50 CO -0.11 -5.28 0.77 -1.13 0.00 0.00 0.00 175.76 170.01 2k1m n SER 51 N 16.66 -1.92 -4.50 0.00 3.41 -1.26 -4.92 113.62 121.08 2k1m n SER 51 Ca 0.42 -2.25 -0.39 0.00 -0.26 0.00 0.00 58.87 56.39 2k1m n SER 51 Cb 0.46 3.18 0.03 0.00 -0.26 0.00 0.00 64.21 67.63 2k1m n SER 51 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2k1m n ASN 52 N -1.41 -0.54 0.00 4.04 2.85 -1.26 -1.02 115.26 117.93 2k1m n ASN 52 Ca -0.06 0.81 0.00 0.00 -0.11 0.00 0.00 54.58 55.22 2k1m n ASN 52 Cb 0.53 -1.21 0.00 0.00 1.24 0.00 0.00 39.78 40.34 2k1m n ASN 52 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 2k1m n LYS 53 N -0.03 0.00 -3.95 1.20 4.81 -1.26 -4.91 118.16 114.01 2k1m n LYS 53 Ca 0.12 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.43 2k1m n LYS 53 Cb 0.45 -2.75 -0.01 0.00 0.02 0.00 0.00 35.03 32.75 2k1m n LYS 53 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2k1m n TYR 54 N -2.00 -1.81 -3.37 5.64 4.01 -0.19 -4.37 117.16 115.07 2k1m n TYR 54 Ca 0.00 -2.22 0.02 0.00 -0.16 0.00 0.00 57.90 55.54 2k1m n TYR 54 Cb 0.00 0.70 -0.03 0.00 -0.31 0.00 0.00 39.34 39.70 2k1m n TYR 54 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2k1m s GLY 55 N -3.18 -0.44 -0.19 2.72 0.00 -0.58 -4.20 107.32 101.45 2k1m s GLY 55 Ca 0.25 2.69 -0.10 0.00 0.00 0.00 0.00 44.72 47.56 2k1m s GLY 55 CO 0.18 3.32 0.14 1.08 0.00 0.00 0.00 173.10 177.82 2k1m s LEU 56 N 2.68 4.23 -0.29 0.66 2.01 -1.26 -0.07 118.68 126.64 2k1m s LEU 56 Ca 0.00 0.26 0.01 0.00 0.01 0.00 0.00 54.13 54.42 2k1m s LEU 56 Cb -0.09 -2.10 0.08 0.00 0.01 0.00 0.00 46.19 44.10 2k1m s LEU 56 CO -0.17 0.20 0.03 0.00 1.01 0.00 0.00 176.35 177.41 2k1m s ALA 57 N 0.23 2.09 -0.05 4.21 0.00 -0.06 -4.95 121.76 123.22 2k1m s ALA 57 Ca 0.09 -1.79 -0.00 0.00 0.00 0.00 0.00 51.96 50.26 2k1m s ALA 57 Cb -0.11 -1.64 -0.03 0.00 0.00 0.00 0.00 23.12 21.33 2k1m s ALA 57 CO -0.01 -1.49 0.00 -0.08 0.00 0.00 0.00 175.76 174.19 2k1m s THR 58 N 1.33 4.26 -0.42 0.00 -1.32 -1.26 -0.35 115.64 117.88 2k1m s THR 58 Ca 0.04 -0.40 0.05 0.00 -1.21 0.00 0.00 61.69 60.17 2k1m s THR 58 Cb -0.18 -2.84 0.17 0.00 -1.51 0.00 0.00 72.50 68.13 2k1m s THR 58 CO -0.13 0.50 0.47 -0.70 -2.21 0.00 0.00 174.62 172.55 2k1m s GLU 59 N -1.19 0.82 4.59 7.08 2.56 -0.15 -5.02 118.70 127.39 2k1m s GLU 59 Ca 0.16 -1.16 0.00 0.00 0.00 0.00 0.00 54.97 53.97 2k1m s GLU 59 Cb -0.11 -0.67 0.00 0.00 2.00 0.00 0.00 34.13 35.34 2k1m s GLU 59 CO 0.06 -1.27 0.00 0.41 -0.56 0.00 0.00 175.26 173.90 2k1m n GLY 60 N 3.63 1.78 0.51 -1.50 0.00 -1.26 -2.66 105.19 105.69 2k1m n GLY 60 Ca 0.17 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.19 2k1m n GLY 60 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k1m n THR 61 N 0.00 1.10 -4.25 2.61 -1.04 -1.26 -3.93 114.28 107.51 2k1m n THR 61 Ca 0.00 -1.08 -0.34 0.00 -2.04 0.00 0.00 64.05 60.60 2k1m n THR 61 Cb 0.00 0.44 -0.15 0.00 -1.82 0.00 0.00 70.33 68.80 2k1m n THR 61 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2k1m s ARG 62 N -1.15 3.18 -0.19 -2.82 0.52 -1.09 -1.23 118.95 116.16 2k1m s ARG 62 Ca 0.20 -0.75 -0.01 0.00 -0.52 0.00 0.00 55.73 54.65 2k1m s ARG 62 Cb 0.11 -2.70 0.00 0.00 0.52 0.00 0.00 34.95 32.89 2k1m s ARG 62 CO 0.12 -0.11 -0.12 -1.01 0.02 0.00 0.00 175.30 174.20 2k1m s HIS 63 N 1.13 2.86 -0.19 -0.53 3.76 0.10 -0.97 115.29 121.46 2k1m s HIS 63 Ca 0.01 -1.22 -0.00 0.00 -0.15 0.00 0.00 55.06 53.69 2k1m s HIS 63 Cb -0.14 -2.00 0.01 0.00 1.11 0.00 0.00 32.58 31.56 2k1m s HIS 63 CO -0.05 -0.63 -0.15 0.99 -0.85 0.00 0.00 174.74 174.04 2k1m s THR 64 N 1.30 2.46 -0.43 1.30 2.01 0.52 -0.12 115.64 122.68 2k1m s THR 64 Ca 0.04 -0.81 -0.18 0.00 0.31 0.00 0.00 61.69 61.05 2k1m s THR 64 Cb -0.14 -2.06 0.02 0.00 0.01 0.00 0.00 72.50 70.33 2k1m s THR 64 CO -0.07 0.51 0.48 -0.22 -0.69 0.00 0.00 174.62 174.63 2k1m s LEU 65 N 1.31 4.82 -0.18 4.42 2.96 -0.42 -0.88 118.68 130.71 2k1m s LEU 65 Ca 0.05 -0.63 -0.17 0.00 -0.22 0.00 0.00 54.13 53.15 2k1m s LEU 65 Cb -0.13 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.07 2k1m s LEU 65 CO -0.09 -0.63 0.45 -0.89 -1.32 0.00 0.00 176.35 173.88 2k1m s THR 66 N 2.26 5.17 -0.27 3.68 2.01 0.90 -1.48 115.64 127.92 2k1m s THR 66 Ca 0.14 0.85 -0.02 0.00 0.31 0.00 0.00 61.69 62.97 2k1m s THR 66 Cb -0.17 -3.79 0.09 0.00 0.01 0.00 0.00 72.50 68.64 2k1m s THR 66 CO 0.14 0.25 0.07 -0.69 -0.69 0.00 0.00 174.62 173.71 2k1m s VAL 67 N 1.21 0.69 -0.14 3.82 1.01 0.84 -1.53 120.40 126.31 2k1m s VAL 67 Ca 0.22 -1.05 0.20 0.00 0.00 0.00 0.00 61.98 61.35 2k1m s VAL 67 Cb -0.15 -1.40 -0.16 0.00 0.00 0.00 0.00 36.38 34.68 2k1m s VAL 67 CO 0.09 -0.50 0.73 0.54 0.00 0.00 0.00 175.10 175.96 2k1m n ARG 68 N 4.95 0.63 0.00 2.72 1.74 -1.26 -1.17 116.66 124.27 2k1m n ARG 68 Ca -0.05 0.06 0.12 0.00 -0.77 0.00 0.00 57.85 57.21 2k1m n ARG 68 Cb 0.44 -1.71 0.63 0.00 -1.02 0.00 0.00 32.46 30.79 2k1m n ARG 68 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2k1m n GLU 69 N -2.65 0.44 -1.61 5.56 0.00 -1.26 -4.58 120.64 116.55 2k1m n GLU 69 Ca -0.07 0.05 -0.48 0.00 0.00 0.00 0.00 57.16 56.66 2k1m n GLU 69 Cb 0.71 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 30.61 2k1m n GLU 69 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 2k1m n VAL 70 N -1.22 0.87 -2.61 6.31 3.14 -1.25 -4.84 118.33 118.73 2k1m n VAL 70 Ca 0.13 -0.22 0.00 0.00 -2.96 0.00 0.00 64.34 61.29 2k1m n VAL 70 Cb 0.16 -1.05 0.00 0.00 -1.06 0.00 0.00 33.84 31.90 2k1m n VAL 70 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2k1m n GLY 71 N 2.10 4.84 0.18 7.55 0.00 -1.26 -1.57 105.19 117.03 2k1m n GLY 71 Ca 0.14 -1.24 0.14 0.00 0.00 0.00 0.00 46.02 45.06 2k1m n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k1m h PRO 72 N 0.00 0.00 0.00 1.61 0.13 -1.93 -2.37 132.00 129.44 2k1m h PRO 72 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2k1m h PRO 72 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2k1m h PRO 72 CO 0.00 0.00 -0.62 0.00 -0.23 0.00 0.00 178.00 177.15 2k1m n ALA 73 N -1.88 3.51 1.82 -0.56 0.00 -1.26 -3.75 120.51 118.39 2k1m n ALA 73 Ca 0.01 -0.36 0.13 0.00 0.00 0.00 0.00 53.44 53.23 2k1m n ALA 73 Cb 0.25 -1.09 0.69 0.00 0.00 0.00 0.00 19.45 19.30 2k1m n ALA 73 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k1m n ASP 74 N -1.65 0.46 -3.17 0.00 9.92 -0.89 -4.43 116.55 116.78 2k1m n ASP 74 Ca 0.05 -1.30 -0.32 0.00 -0.53 0.00 0.00 54.79 52.69 2k1m n ASP 74 Cb 0.36 -0.01 -0.04 0.00 -0.64 0.00 0.00 41.12 40.80 2k1m n ASP 74 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 2k1m n GLN 75 N -0.57 3.09 0.00 -1.24 7.27 -1.25 -4.68 117.38 120.00 2k1m n GLN 75 Ca 0.19 -1.88 0.00 0.00 0.07 0.00 0.00 57.00 55.38 2k1m n GLN 75 Cb 0.17 -2.63 0.00 0.00 2.41 0.00 0.00 30.24 30.18 2k1m n GLN 75 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2k1m n GLY 76 N 3.55 2.35 2.92 1.69 0.00 -1.26 -4.97 105.19 109.46 2k1m n GLY 76 Ca 0.66 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 46.33 2k1m n GLY 76 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k1m s SER 77 N 1.00 1.91 -0.00 1.61 1.04 -1.26 -3.96 113.70 114.04 2k1m s SER 77 Ca 0.00 -0.26 -0.15 0.00 0.48 0.00 0.00 55.95 56.02 2k1m s SER 77 Cb 0.00 -0.76 -0.06 0.00 0.10 0.00 0.00 66.02 65.31 2k1m s SER 77 CO 0.00 -0.09 0.43 -0.31 0.98 0.00 0.00 173.24 174.25 2k1m s TYR 78 N 1.43 3.72 0.01 5.02 2.02 0.11 -1.23 117.35 128.45 2k1m s TYR 78 Ca -0.01 1.01 0.06 0.00 -0.37 0.00 0.00 57.07 57.76 2k1m s TYR 78 Cb -0.13 -2.32 -0.02 0.00 -0.40 0.00 0.00 41.96 39.08 2k1m s TYR 78 CO -0.05 0.61 -0.17 0.00 -1.57 0.00 0.00 175.55 174.38 2k1m s ALA 79 N -0.98 1.43 -0.14 3.71 0.00 0.84 -0.47 121.76 126.15 2k1m s ALA 79 Ca 0.24 -0.83 -0.06 0.00 0.00 0.00 0.00 51.96 51.32 2k1m s ALA 79 Cb -0.17 -0.31 0.07 0.00 0.00 0.00 0.00 23.12 22.71 2k1m s ALA 79 CO 0.14 0.33 0.30 0.54 0.00 0.00 0.00 175.76 177.07 2k1m s VAL 80 N -0.60 -0.38 0.01 0.00 0.11 0.91 0.03 120.40 120.48 2k1m s VAL 80 Ca 0.06 0.23 0.05 0.00 -2.93 0.00 0.00 61.98 59.38 2k1m s VAL 80 Cb -0.07 -0.49 -0.03 0.00 -1.53 0.00 0.00 36.38 34.25 2k1m s VAL 80 CO 0.00 0.09 -0.11 -0.63 -3.33 0.00 0.00 175.10 171.12 2k1m s ILE 81 N 2.21 3.28 -0.13 7.04 1.01 0.19 -1.16 121.20 133.64 2k1m s ILE 81 Ca -0.02 -0.91 -0.04 0.00 0.00 0.00 0.00 60.65 59.68 2k1m s ILE 81 Cb -0.11 -2.40 0.06 0.00 0.01 0.00 0.00 42.46 40.01 2k1m s ILE 81 CO -0.10 0.40 0.12 0.00 0.00 0.00 0.00 174.94 175.36 2k1m s ALA 82 N -0.94 0.12 0.00 9.38 0.00 -0.54 -0.10 121.76 129.68 2k1m s ALA 82 Ca 0.16 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.21 2k1m s ALA 82 Cb -0.11 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 22.06 2k1m s ALA 82 CO 0.06 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.32 2k1m n GLY 83 N 5.30 0.69 0.01 0.00 0.00 -1.25 -1.97 105.19 107.98 2k1m n GLY 83 Ca -0.05 0.48 -0.00 0.00 0.00 0.00 0.00 46.02 46.45 2k1m n GLY 83 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k1m n SER 84 N 7.72 4.15 -4.79 1.61 2.88 -1.26 -5.03 113.62 118.89 2k1m n SER 84 Ca 0.00 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.18 2k1m n SER 84 Cb 0.00 0.82 -0.06 0.00 -0.75 0.00 0.00 64.21 64.22 2k1m n SER 84 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2k1m s SER 85 N -3.03 7.22 -0.04 -3.46 0.15 -0.83 -5.07 113.70 108.64 2k1m s SER 85 Ca -0.02 1.69 0.04 0.00 0.70 0.00 0.00 55.95 58.37 2k1m s SER 85 Cb 0.02 -2.53 -0.00 0.00 -1.71 0.00 0.00 66.02 61.80 2k1m s SER 85 CO 0.15 -0.06 -0.17 -0.75 1.20 0.00 0.00 173.24 173.61 2k1m s LYS 86 N -2.11 1.74 0.01 5.44 2.20 -1.26 -1.46 119.74 124.30 2k1m s LYS 86 Ca 0.49 -0.60 -0.02 0.00 -0.36 0.00 0.00 55.97 55.48 2k1m s LYS 86 Cb -0.17 -1.52 -0.01 0.00 -1.51 0.00 0.00 37.83 34.61 2k1m s LYS 86 CO 0.22 0.24 0.02 0.08 -0.36 0.00 0.00 175.35 175.55 2k1m s VAL 87 N 0.03 0.07 0.01 4.02 1.01 -0.31 -5.02 120.40 120.22 2k1m s VAL 87 Ca -0.04 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.34 2k1m s VAL 87 Cb -0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 36.38 36.02 2k1m s VAL 87 CO 0.02 -0.34 -0.03 -1.59 0.00 0.00 0.00 175.10 173.16 2k1m s LYS 88 N -1.03 0.28 0.13 2.72 0.00 -1.26 -0.07 119.74 120.52 2k1m s LYS 88 Ca -0.11 -0.33 0.05 0.00 0.00 0.00 0.00 55.97 55.57 2k1m s LYS 88 Cb -0.07 -0.13 -0.04 0.00 0.00 0.00 0.00 37.83 37.59 2k1m s LYS 88 CO -0.00 0.03 -0.11 -0.59 0.00 0.00 0.00 175.35 174.67 2k1m s PHE 89 N -0.63 1.27 -0.02 1.78 -0.71 0.38 -4.98 117.98 115.06 2k1m s PHE 89 Ca -0.05 -0.69 -0.03 0.00 -1.04 0.00 0.00 56.93 55.11 2k1m s PHE 89 Cb -0.05 -0.65 -0.04 0.00 -1.21 0.00 0.00 43.02 41.07 2k1m s PHE 89 CO -0.00 0.09 0.18 -0.51 -1.34 0.00 0.00 175.22 173.64 2k1m s ASP 90 N -2.90 6.38 -0.34 1.98 1.01 -1.26 0.10 116.67 121.64 2k1m s ASP 90 Ca 0.13 0.38 0.01 0.00 0.71 0.00 0.00 52.55 53.77 2k1m s ASP 90 Cb -0.00 -2.02 0.09 0.00 1.01 0.00 0.00 42.92 42.00 2k1m s ASP 90 CO 0.01 0.28 0.06 -0.22 0.21 0.00 0.00 175.17 175.51 2k1m s LEU 91 N -1.82 4.52 -0.49 1.23 1.98 -1.25 -3.61 118.68 119.23 2k1m s LEU 91 Ca 0.26 -1.82 -0.25 0.00 -2.89 0.00 0.00 54.13 49.43 2k1m s LEU 91 Cb -0.13 -1.69 0.03 0.00 0.66 0.00 0.00 46.19 45.06 2k1m s LEU 91 CO 0.17 -0.37 0.93 -0.54 -1.89 0.00 0.00 176.35 174.64 2k1m s LYS 92 N 1.07 3.46 0.18 1.98 3.01 -1.04 -4.16 119.74 124.24 2k1m s LYS 92 Ca 0.04 0.02 -0.29 0.00 -1.01 0.00 0.00 55.97 54.72 2k1m s LYS 92 Cb -0.20 -3.97 -0.08 0.00 -1.01 0.00 0.00 37.83 32.57 2k1m s LYS 92 CO -0.05 -1.30 0.91 0.08 0.51 0.00 0.00 175.35 175.50 2k1m s VAL 93 N 3.80 4.26 0.05 3.17 1.01 -1.26 -2.65 120.40 128.79 2k1m s VAL 93 Ca 0.35 2.01 -0.10 0.00 0.00 0.00 0.00 61.98 64.23 2k1m s VAL 93 Cb -0.11 -4.29 -0.06 0.00 0.00 0.00 0.00 36.38 31.93 2k1m s VAL 93 CO 0.24 0.45 0.38 -0.63 0.00 0.00 0.00 175.10 175.53 2k1m s ILE 94 N -0.80 5.12 -2.98 2.22 1.01 -0.44 -4.90 121.20 120.44 2k1m s ILE 94 Ca 0.42 0.48 0.24 0.00 0.00 0.00 0.00 60.65 61.78 2k1m s ILE 94 Cb -0.25 -3.64 0.19 0.00 0.01 0.00 0.00 42.46 38.77 2k1m s ILE 94 CO 0.30 0.36 1.26 -1.84 0.00 0.00 0.00 174.94 175.02